#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 0.00 3.88 0.00 0.00 -1.26 -5.16 105.19 102.65 1x37 n GLY 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1x37 n GLY 2 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x37 s TYR 3 N 0.00 3.56 0.43 1.61 -0.85 -1.26 -5.09 117.35 115.74 1x37 s TYR 3 Ca 0.00 1.13 0.04 0.00 -0.52 0.00 0.00 57.07 57.72 1x37 s TYR 3 Cb 0.00 -2.69 -0.02 0.00 0.38 0.00 0.00 41.96 39.64 1x37 s TYR 3 CO 0.00 -0.68 0.15 0.25 -1.52 0.00 0.00 175.55 173.74 1x37 n THR 4 N -2.68 0.00 -0.20 -3.49 -2.24 -1.26 -4.98 114.28 99.43 1x37 n THR 4 Ca 0.05 -2.46 0.01 0.00 -2.27 0.00 0.00 64.05 59.38 1x37 n THR 4 Cb 0.55 0.87 0.10 0.00 -2.10 0.00 0.00 70.33 69.75 1x37 n THR 4 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x37 h GLU 5 N 0.00 0.14 0.21 -0.78 5.08 -1.99 -1.39 114.58 115.85 1x37 h GLU 5 Ca -0.33 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1x37 h GLU 5 Cb 1.26 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1x37 h GLU 5 CO 0.53 0.10 -0.32 0.82 -1.00 0.00 0.00 179.01 179.13 1x37 h ILE 6 N 0.15 0.32 -0.11 3.13 5.03 -1.99 -1.46 117.51 122.58 1x37 h ILE 6 Ca 0.32 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 65.07 1x37 h ILE 6 Cb 0.51 0.32 -0.03 0.00 -3.03 0.00 0.00 36.82 34.59 1x37 h ILE 6 CO -0.49 0.00 -0.23 -0.33 -0.68 0.00 0.00 178.15 176.42 1x37 h GLU 7 N -0.60 -0.20 -1.07 2.37 3.07 -1.67 0.19 114.58 116.66 1x37 h GLU 7 Ca 0.01 0.01 0.40 0.00 -0.50 0.00 0.00 59.36 59.28 1x37 h GLU 7 Cb 0.59 0.05 -0.16 0.00 -0.84 0.00 0.00 28.75 28.39 1x37 h GLU 7 CO -0.14 -0.14 0.61 0.87 -1.40 0.00 0.00 179.01 178.82 1x37 h LYS 8 N -0.21 0.11 0.75 2.33 1.57 -1.16 -0.70 116.57 119.26 1x37 h LYS 8 Ca 0.02 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1x37 h LYS 8 Cb 0.27 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1x37 h LYS 8 CO -0.21 0.07 -0.36 1.25 -0.57 0.00 0.00 179.45 179.63 1x37 h LEU 9 N 0.11 -0.86 -0.47 2.94 5.85 0.45 0.26 115.31 123.59 1x37 h LEU 9 Ca 0.81 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.65 1x37 h LEU 9 Cb 2.15 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 43.33 1x37 h LEU 9 CO -0.65 -0.55 0.02 1.05 -0.34 0.00 0.00 178.44 177.97 1x37 h GLU 10 N -1.14 0.13 0.34 1.25 4.11 -0.30 -1.79 114.58 117.19 1x37 h GLU 10 Ca -0.10 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 1x37 h GLU 10 Cb 0.78 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1x37 h GLU 10 CO 0.17 0.09 -0.16 -0.84 0.07 0.00 0.00 179.01 178.33 1x37 h ILE 11 N 0.14 0.00 -1.15 -1.06 3.07 -1.38 -1.55 117.51 115.57 1x37 h ILE 11 Ca 0.23 -0.48 0.44 0.00 1.55 0.00 0.00 64.86 66.60 1x37 h ILE 11 Cb 0.34 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.73 1x37 h ILE 11 CO -0.37 0.00 0.69 0.52 -1.05 0.00 0.00 178.15 177.94 1x37 n VAL 12 N -4.57 -0.33 0.12 0.16 0.31 0.91 0.57 118.33 115.51 1x37 n VAL 12 Ca -0.06 1.86 -0.22 0.00 -0.01 0.00 0.00 64.34 65.91 1x37 n VAL 12 Cb 0.18 -3.04 -0.15 0.00 -0.91 0.00 0.00 33.84 29.92 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 0.45 0.00 5.55 1.79 -1.33 -3.29 116.57 119.74 1x37 h LYS 13 Ca 0.84 -0.77 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1x37 h LYS 13 Cb 2.47 0.29 -0.00 0.00 -1.58 0.00 0.00 32.23 33.40 1x37 h LYS 13 CO -0.60 1.36 -0.13 0.22 -1.08 0.00 0.00 179.45 179.22 1x37 h ASP 14 N 0.12 0.00 -1.00 0.86 3.58 0.12 -3.37 116.42 116.73 1x37 h ASP 14 Ca -0.25 -0.65 0.10 0.00 0.42 0.00 0.00 57.03 56.65 1x37 h ASP 14 Cb 2.12 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 43.09 1x37 h ASP 14 CO 0.24 0.90 0.64 1.12 -2.88 0.00 0.00 179.24 179.26 1x37 h HIS 15 N -1.00 1.16 -1.25 0.28 2.07 -0.56 -2.68 115.15 113.17 1x37 h HIS 15 Ca -0.03 0.03 0.46 0.00 -2.85 0.00 0.00 60.37 57.98 1x37 h HIS 15 Cb 0.74 -0.37 -0.15 0.00 2.57 0.00 0.00 27.41 30.20 1x37 h HIS 15 CO 0.17 0.51 0.77 1.47 -3.07 0.00 0.00 177.93 177.78 1x37 n LEU 16 N -4.57 0.25 0.03 6.12 -0.00 -1.24 -0.68 117.00 116.91 1x37 n LEU 16 Ca 0.18 1.46 -0.01 0.00 -0.00 0.00 0.00 56.01 57.64 1x37 n LEU 16 Cb 0.30 -0.72 -0.01 0.00 -0.00 0.00 0.00 43.42 43.00 1x37 n LEU 16 CO 0.29 -1.61 0.33 -0.07 -0.00 0.00 0.00 177.39 176.34 1x37 h LEU 17 N 0.00 -0.07 -0.41 1.47 3.38 -1.71 -3.25 115.31 114.72 1x37 h LEU 17 Ca 0.86 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.81 1x37 h LEU 17 Cb 2.64 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 43.39 1x37 h LEU 17 CO -0.56 -0.03 0.17 1.55 0.09 0.00 0.00 178.44 179.66 1x37 h PRO 18 N -0.11 0.61 0.00 1.13 0.13 -1.58 -2.38 132.00 129.80 1x37 h PRO 18 Ca -0.01 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1x37 h PRO 18 Cb 0.06 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1x37 h PRO 18 CO 0.01 0.57 0.00 1.17 -0.23 0.00 0.00 178.00 179.52 1x37 n LYS 19 N -4.64 0.00 -0.14 0.86 3.00 0.15 -0.35 118.16 117.03 1x37 n LYS 19 Ca 0.00 0.27 -0.05 0.00 -0.00 0.00 0.00 58.31 58.53 1x37 n LYS 19 Cb 0.14 -1.00 0.02 0.00 0.00 0.00 0.00 35.03 34.19 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 -0.13 -1.04 1.64 4.20 -1.69 0.36 115.11 118.45 1x37 h GLN 20 Ca 0.00 0.01 0.28 0.00 0.06 0.00 0.00 58.65 58.99 1x37 h GLN 20 Cb 0.00 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 27.69 1x37 h GLN 20 CO 0.00 -0.08 0.64 0.82 -0.67 0.00 0.00 178.83 179.54 1x37 h ILE 21 N -0.13 0.48 0.00 2.54 1.08 -1.30 0.16 117.51 120.34 1x37 h ILE 21 Ca 0.22 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1x37 h ILE 21 Cb 0.47 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 1x37 h ILE 21 CO -0.55 0.08 0.00 1.17 -0.69 0.00 0.00 178.15 178.16 1x37 n LYS 22 N -4.78 0.00 -0.37 2.37 4.81 0.52 0.61 118.16 121.33 1x37 n LYS 22 Ca 0.27 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 58.00 1x37 n LYS 22 Cb 0.87 -0.83 0.55 0.00 0.02 0.00 0.00 35.03 35.64 1x37 n LYS 22 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x37 h GLU 23 N 0.00 0.21 0.23 1.64 4.39 -1.53 0.70 114.58 120.22 1x37 h GLU 23 Ca 0.00 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 1x37 h GLU 23 Cb 0.00 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1x37 h GLU 23 CO 0.00 0.14 -1.47 0.45 -1.16 0.00 0.00 179.01 176.97 1x37 h HIS 24 N 0.22 0.87 -1.23 4.33 3.86 -0.67 -3.28 115.15 119.25 1x37 h HIS 24 Ca 0.76 -0.64 0.43 0.00 -1.16 0.00 0.00 60.37 59.76 1x37 h HIS 24 Cb 2.01 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 30.30 1x37 h HIS 24 CO -0.01 1.52 0.76 0.78 0.86 0.00 0.00 177.93 181.84 1x37 h GLY 25 N 0.49 1.64 -0.91 2.45 0.00 2.38 0.19 103.07 109.30 1x37 h GLY 25 Ca -0.24 -0.13 0.37 0.00 0.00 0.00 0.00 47.33 47.33 1x37 h GLY 25 CO 0.26 -0.53 0.51 1.04 0.00 0.00 0.00 176.54 177.81 1x37 n LEU 26 N -4.88 0.29 -4.95 3.11 4.77 -1.05 -4.25 117.00 110.04 1x37 n LEU 26 Ca 0.38 1.41 -0.19 0.00 -0.03 0.00 0.00 56.01 57.58 1x37 n LEU 26 Cb 1.39 -0.69 -0.01 0.00 -2.33 0.00 0.00 43.42 41.78 1x37 n LEU 26 CO 0.14 -1.58 0.07 -0.54 -1.33 0.00 0.00 177.39 174.15 1x37 s LYS 27 N -5.28 2.75 0.77 3.23 3.01 0.67 -5.06 119.74 119.83 1x37 s LYS 27 Ca -0.08 -1.32 -0.16 0.00 -1.01 0.00 0.00 55.97 53.40 1x37 s LYS 27 Cb 0.29 -2.61 -0.08 0.00 -1.01 0.00 0.00 37.83 34.42 1x37 s LYS 27 CO 0.68 -0.17 0.06 1.17 0.51 0.00 0.00 175.35 177.60 1x37 n LYS 28 N -1.68 0.09 -1.52 1.68 4.81 -1.26 -4.44 118.16 115.85 1x37 n LYS 28 Ca 0.05 0.06 -0.26 0.00 -0.87 0.00 0.00 58.31 57.28 1x37 n LYS 28 Cb 0.60 -1.46 -0.16 0.00 0.02 0.00 0.00 35.03 34.03 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 1.09 -0.02 -3.03 3.14 3.41 -1.26 -4.74 113.62 112.22 1x37 n SER 29 Ca 0.06 -0.55 -0.31 0.00 -0.26 0.00 0.00 58.87 57.81 1x37 n SER 29 Cb 0.51 -0.96 -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 10.39 5.34 -3.63 4.04 4.05 -1.26 -3.84 115.26 130.34 1x37 n ASN 30 Ca 0.60 -3.70 -0.04 0.00 0.45 0.00 0.00 54.58 51.89 1x37 n ASN 30 Cb 0.21 -0.71 -0.06 0.00 1.23 0.00 0.00 39.78 40.46 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1x37 s LEU 31 N -3.71 -0.99 -0.42 1.20 0.20 -1.26 -4.28 118.68 109.41 1x37 s LEU 31 Ca 0.47 1.47 0.08 0.00 0.69 0.00 0.00 54.13 56.83 1x37 s LEU 31 Cb 0.29 2.28 0.27 0.00 -0.43 0.00 0.00 46.19 48.60 1x37 s LEU 31 CO -0.16 -0.22 0.72 0.00 -0.29 0.00 0.00 176.35 176.40 1x37 n GLN 32 N 4.81 0.80 -3.11 1.98 1.13 0.38 -4.77 117.38 118.60 1x37 n GLN 32 Ca -0.16 -2.68 -0.19 0.00 -1.94 0.00 0.00 57.00 52.03 1x37 n GLN 32 Cb 0.54 -1.34 0.03 0.00 0.11 0.00 0.00 30.24 29.58 1x37 n GLN 32 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1x37 s LEU 33 N -1.32 3.29 0.10 1.08 0.05 -1.26 -1.13 118.68 119.48 1x37 s LEU 33 Ca 0.34 -0.72 0.04 0.00 0.05 0.00 0.00 54.13 53.84 1x37 s LEU 33 Cb 0.23 -1.98 -0.03 0.00 -2.05 0.00 0.00 46.19 42.35 1x37 s LEU 33 CO -0.14 -1.09 -0.12 -0.13 -0.55 0.00 0.00 176.35 174.32 1x37 s ARG 34 N -4.50 0.87 0.29 1.48 0.52 -1.21 -4.89 118.95 111.51 1x37 s ARG 34 Ca 0.57 -1.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 1x37 s ARG 34 Cb -0.07 -0.67 0.72 0.00 0.52 0.00 0.00 34.95 35.45 1x37 s ARG 34 CO 0.35 0.12 1.66 -0.44 0.02 0.00 0.00 175.30 177.02 1x37 h ASP 35 N 3.75 0.11 -0.98 0.23 3.32 -1.96 0.34 116.42 121.23 1x37 h ASP 35 Ca -0.39 0.18 0.27 0.00 0.02 0.00 0.00 57.03 57.12 1x37 h ASP 35 Cb 1.19 0.22 -0.14 0.00 0.22 0.00 0.00 39.33 40.83 1x37 h ASP 35 CO 0.49 -0.11 0.53 -0.61 -1.72 0.00 0.00 179.24 177.82 1x37 h GLN 36 N 0.26 0.42 0.00 3.56 5.75 -1.96 0.14 115.11 123.29 1x37 h GLN 36 Ca 0.56 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 59.03 1x37 h GLN 36 Cb 1.11 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.56 1x37 h GLN 36 CO -0.61 0.28 0.00 0.00 -2.65 0.00 0.00 178.83 175.85 1x37 n ALA 37 N -2.35 -0.28 -0.28 3.38 0.00 0.12 -0.98 120.51 120.12 1x37 n ALA 37 Ca 0.28 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.79 1x37 n ALA 37 Cb 0.82 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.46 1x37 n ALA 37 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1x37 h ILE 38 N 0.00 0.28 -0.03 0.00 2.04 -1.53 -0.09 117.51 118.19 1x37 h ILE 38 Ca 0.00 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1x37 h ILE 38 Cb 0.00 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.19 1x37 h ILE 38 CO 0.00 0.02 -0.45 -0.07 0.00 0.00 0.00 178.15 177.65 1x37 h LEU 39 N 0.10 -1.38 -0.38 1.44 3.38 -0.68 -1.79 115.31 116.01 1x37 h LEU 39 Ca 0.46 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.67 1x37 h LEU 39 Cb 0.84 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 42.06 1x37 h LEU 39 CO -0.71 -0.47 -0.11 0.44 0.09 0.00 0.00 178.44 177.68 1x37 h ASP 40 N -0.58 -0.41 0.00 -0.43 5.19 0.76 0.12 116.42 121.07 1x37 h ASP 40 Ca 0.05 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1x37 h ASP 40 Cb 0.67 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1x37 h ASP 40 CO -0.35 -0.14 0.00 -0.38 -3.12 0.00 0.00 179.24 175.25 1x37 n ILE 41 N -5.31 0.00 -0.30 0.35 2.08 -0.66 -0.31 119.36 115.21 1x37 n ILE 41 Ca 0.02 0.95 0.12 0.00 0.56 0.00 0.00 62.75 64.40 1x37 n ILE 41 Cb 0.22 -1.67 0.27 0.00 -0.75 0.00 0.00 39.64 37.71 1x37 n ILE 41 CO 0.00 0.00 0.00 0.16 0.56 0.00 0.00 176.55 177.27 1x37 h ILE 42 N 0.00 0.27 -0.88 1.39 3.07 -1.43 0.71 117.51 120.64 1x37 h ILE 42 Ca 0.00 -0.05 0.18 0.00 1.55 0.00 0.00 64.86 66.54 1x37 h ILE 42 Cb 0.00 0.10 -0.11 0.00 -0.27 0.00 0.00 36.82 36.54 1x37 h ILE 42 CO 0.00 0.03 0.43 -0.09 -1.05 0.00 0.00 178.15 177.47 1x37 h ARG 43 N 0.16 0.51 0.24 0.16 2.43 -0.30 1.41 114.38 118.99 1x37 h ARG 43 Ca 0.54 -0.03 -0.34 0.00 -0.81 0.00 0.00 59.98 59.34 1x37 h ARG 43 Cb 1.09 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1x37 h ARG 43 CO -0.70 0.34 -1.52 1.88 -1.51 0.00 0.00 179.97 178.46 1x37 h TYR 44 N 0.53 0.93 0.00 2.20 -1.99 0.33 -3.41 116.97 115.56 1x37 h TYR 44 Ca 0.52 -0.68 0.00 0.00 2.00 0.00 0.00 58.73 60.56 1x37 h TYR 44 Cb 0.86 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.55 1x37 h TYR 44 CO -0.11 1.57 0.00 0.66 -0.00 0.00 0.00 178.16 180.29 1x37 n TYR 45 N -3.69 0.00 -0.12 4.88 4.01 0.78 -4.10 117.16 118.92 1x37 n TYR 45 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1x37 n TYR 45 Cb 1.10 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 1x37 n TYR 45 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1x37 n THR 46 N -1.97 0.00 -1.30 -0.72 5.66 0.47 -4.77 114.28 111.65 1x37 n THR 46 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 1x37 n THR 46 Cb 0.00 -0.12 -0.06 0.00 -1.55 0.00 0.00 70.33 68.60 1x37 n THR 46 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1x37 n ARG 47 N -1.80 1.36 -4.02 1.09 1.85 -1.26 -4.81 116.66 109.06 1x37 n ARG 47 Ca 0.00 -1.90 -0.09 0.00 -1.00 0.00 0.00 57.85 54.86 1x37 n ARG 47 Cb 0.00 -3.08 -0.08 0.00 -1.05 0.00 0.00 32.46 28.25 1x37 n ARG 47 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1x37 s GLU 48 N 5.58 0.97 -0.28 2.89 0.41 -1.26 -5.07 118.70 121.93 1x37 s GLU 48 Ca 0.61 -1.23 0.20 0.00 -0.41 0.00 0.00 54.97 54.15 1x37 s GLU 48 Cb 0.11 0.31 0.49 0.00 -1.78 0.00 0.00 34.13 33.25 1x37 s GLU 48 CO 0.15 -0.31 1.16 0.00 -0.49 0.00 0.00 175.26 175.77 1x37 n ALA 49 N -0.11 2.70 0.00 5.21 0.00 -1.26 -5.07 120.51 121.97 1x37 n ALA 49 Ca -0.09 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.86 1x37 n ALA 49 Cb 0.63 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.68 2.29 0.29 0.00 0.00 -1.26 -5.01 105.19 100.82 1x37 n GLY 50 Ca 0.03 0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 1.00 -0.60 1.61 -1.51 -1.98 -1.83 116.25 112.94 1x37 h VAL 51 Ca 0.00 -0.28 0.08 0.00 -1.23 0.00 0.00 66.70 65.28 1x37 h VAL 51 Cb 0.00 0.11 -0.11 0.00 -2.13 0.00 0.00 31.29 29.17 1x37 h VAL 51 CO 0.00 0.15 -0.46 -0.09 -1.23 0.00 0.00 177.57 175.93 1x37 h ARG 52 N 0.81 -0.22 -0.80 5.19 9.65 -1.99 0.31 114.38 127.33 1x37 h ARG 52 Ca 0.34 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.21 1x37 h ARG 52 Cb 0.19 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 1x37 h ARG 52 CO -0.18 -0.15 0.43 0.77 2.80 0.00 0.00 179.97 183.64 1x37 h SER 53 N -0.23 1.01 0.04 -3.80 0.02 -1.85 -1.75 113.55 106.99 1x37 h SER 53 Ca 0.17 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1x37 h SER 53 Cb 0.56 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1x37 h SER 53 CO -0.70 0.82 -0.39 0.25 -1.14 0.00 0.00 176.83 175.67 1x37 h LEU 54 N 1.11 -1.16 -1.09 5.07 6.46 0.28 0.15 115.31 126.13 1x37 h LEU 54 Ca 0.28 0.14 0.15 0.00 -0.12 0.00 0.00 57.88 58.33 1x37 h LEU 54 Cb 0.05 0.45 -0.09 0.00 -0.73 0.00 0.00 40.66 40.34 1x37 h LEU 54 CO -0.04 -0.44 0.61 -0.33 -0.62 0.00 0.00 178.44 177.62 1x37 h GLU 55 N -0.57 0.82 -0.84 1.25 5.08 -0.34 0.13 114.58 120.12 1x37 h GLU 55 Ca 0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1x37 h GLU 55 Cb 0.63 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1x37 h GLU 55 CO -0.28 0.54 0.46 -0.09 -1.00 0.00 0.00 179.01 178.64 1x37 h ARG 56 N 0.85 1.17 -0.15 2.33 2.43 0.09 0.19 114.38 121.28 1x37 h ARG 56 Ca 0.51 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 1x37 h ARG 56 Cb 0.67 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1x37 h ARG 56 CO -0.28 0.86 0.05 0.37 -1.51 0.00 0.00 179.97 179.47 1x37 h GLN 57 N 1.18 0.23 -0.30 0.20 4.15 0.17 0.23 115.11 120.97 1x37 h GLN 57 Ca 0.30 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 1x37 h GLN 57 Cb 0.03 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1x37 h GLN 57 CO -0.05 0.33 0.06 -0.07 -1.93 0.00 0.00 178.83 177.17 1x37 h LEU 58 N 0.08 0.47 -1.23 -2.39 3.38 -1.03 -2.01 115.31 112.58 1x37 h LEU 58 Ca 0.05 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1x37 h LEU 58 Cb 0.19 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1x37 h LEU 58 CO -0.00 0.60 0.53 0.00 0.09 0.00 0.00 178.44 179.66 1x37 h ALA 59 N 0.88 1.47 0.49 1.53 0.00 -0.51 0.18 119.26 123.30 1x37 h ALA 59 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x37 h ALA 59 Cb 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1x37 h ALA 59 CO 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 179.25 179.50 1x37 h ALA 60 N 1.52 -0.65 -0.33 0.00 0.00 -0.02 -1.16 119.26 118.61 1x37 h ALA 60 Ca 0.30 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1x37 h ALA 60 Cb -0.05 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1x37 h ALA 60 CO -0.08 -0.86 -0.01 0.97 0.00 0.00 0.00 179.25 179.28 1x37 h ILE 61 N -0.67 1.26 0.37 0.00 2.10 -1.10 0.62 117.51 120.09 1x37 h ILE 61 Ca -0.07 -0.98 -0.01 0.00 1.08 0.00 0.00 64.86 64.89 1x37 h ILE 61 Cb 0.51 1.24 -0.03 0.00 -1.09 0.00 0.00 36.82 37.45 1x37 h ILE 61 CO 0.11 0.32 -0.50 0.00 -1.08 0.00 0.00 178.15 177.00 1x37 h ARG 63 N -0.91 0.67 -1.07 0.00 0.11 -1.24 -1.32 114.38 110.63 1x37 h ARG 63 Ca -0.04 -0.13 0.37 0.00 0.10 0.00 0.00 59.98 60.28 1x37 h ARG 63 Cb 0.82 -0.10 -0.15 0.00 1.11 0.00 0.00 29.97 31.64 1x37 h ARG 63 CO -0.13 0.62 0.62 -0.22 0.10 0.00 0.00 179.97 180.96 1x37 h LYS 64 N 0.57 0.17 -0.09 0.08 1.63 -0.54 2.48 116.57 120.87 1x37 h LYS 64 Ca 0.15 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.71 1x37 h LYS 64 Cb 0.21 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1x37 h LYS 64 CO -0.01 0.11 -0.85 0.00 -3.45 0.00 0.00 179.45 175.25 1x37 h ALA 65 N 1.84 0.32 -1.00 5.00 0.00 -0.27 -2.50 119.26 122.66 1x37 h ALA 65 Ca 0.78 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1x37 h ALA 65 Cb 2.03 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 1x37 h ALA 65 CO -0.61 0.71 0.66 0.00 0.00 0.00 0.00 179.25 180.01 1x37 h ALA 66 N 0.61 1.28 -0.32 0.00 0.00 0.51 -2.30 119.26 119.04 1x37 h ALA 66 Ca -0.07 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1x37 h ALA 66 Cb 1.48 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x37 h ALA 66 CO 0.17 0.62 -0.49 -0.22 0.00 0.00 0.00 179.25 179.32 1x37 h LYS 67 N 1.32 0.90 0.00 0.00 3.64 -0.62 -2.70 116.57 119.12 1x37 h LYS 67 Ca 0.38 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1x37 h LYS 67 Cb -0.10 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1x37 h LYS 67 CO -0.10 1.18 0.28 0.00 -2.27 0.00 0.00 179.45 178.54 1x37 n ALA 68 N -2.56 0.50 0.03 5.00 0.00 -0.87 -1.29 120.51 121.32 1x37 n ALA 68 Ca -0.04 0.02 0.22 0.00 0.00 0.00 0.00 53.44 53.64 1x37 n ALA 68 Cb 0.60 -0.53 0.72 0.00 0.00 0.00 0.00 19.45 20.25 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 0.38 -0.95 0.00 -0.00 -1.49 0.22 117.51 115.67 1x37 h ILE 69 Ca 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 64.86 65.13 1x37 h ILE 69 Cb 0.55 0.59 -0.04 0.00 -0.00 0.00 0.00 36.82 37.93 1x37 h ILE 69 CO 0.00 0.00 0.89 1.62 -0.00 0.00 0.00 178.15 180.66 1x37 h VAL 70 N 0.00 0.22 0.00 2.19 3.04 -1.47 -3.38 116.25 116.85 1x37 h VAL 70 Ca 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 1x37 h VAL 70 Cb 1.29 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1x37 h VAL 70 CO -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1x37 n ALA 71 N -2.46 0.00 -1.77 3.17 0.00 0.06 -4.87 120.51 114.64 1x37 n ALA 71 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 1x37 n ALA 71 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.65 1x37 n ALA 71 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x37 n GLU 72 N 0.00 2.70 -1.53 0.00 0.28 -1.26 -4.73 120.64 116.10 1x37 n GLU 72 Ca 0.00 0.95 -0.27 0.00 -0.16 0.00 0.00 57.16 57.67 1x37 n GLU 72 Cb 0.00 -2.69 -0.13 0.00 1.43 0.00 0.00 31.44 30.05 1x37 n GLU 72 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1x37 n GLU 73 N 0.72 0.36 -3.20 3.44 2.13 -1.26 -4.85 120.64 117.98 1x37 n GLU 73 Ca 0.02 -0.22 -0.41 0.00 0.66 0.00 0.00 57.16 57.21 1x37 n GLU 73 Cb 0.39 -2.33 -0.07 0.00 0.27 0.00 0.00 31.44 29.69 1x37 n GLU 73 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1x37 s ARG 74 N 8.26 3.64 -0.13 5.31 6.06 -1.26 -5.04 118.95 135.79 1x37 s ARG 74 Ca 1.16 -0.10 -0.25 0.00 -2.50 0.00 0.00 55.73 54.04 1x37 s ARG 74 Cb -0.62 -3.81 -0.02 0.00 0.06 0.00 0.00 34.95 30.56 1x37 s ARG 74 CO 0.36 -0.67 0.81 0.21 -2.50 0.00 0.00 175.30 173.52 1x37 s LYS 75 N 2.48 4.35 -0.11 5.12 2.20 -1.26 -4.55 119.74 127.97 1x37 s LYS 75 Ca 0.20 1.01 -0.04 0.00 -0.36 0.00 0.00 55.97 56.78 1x37 s LYS 75 Cb -0.15 -3.54 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1x37 s LYS 75 CO 0.14 -0.22 0.09 0.54 -0.36 0.00 0.00 175.35 175.54 1x37 n ARG 76 N 4.79 -2.59 -2.27 4.03 1.74 -1.25 -4.76 116.66 116.35 1x37 n ARG 76 Ca 0.03 2.15 -0.43 0.00 -0.77 0.00 0.00 57.85 58.84 1x37 n ARG 76 Cb 0.50 -2.92 -0.02 0.00 -1.02 0.00 0.00 32.46 28.99 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 -0.60 3.94 0.14 0.55 1.01 -1.26 -4.78 121.20 120.20 1x37 s ILE 77 Ca -0.10 1.07 -0.23 0.00 0.00 0.00 0.00 60.65 61.39 1x37 s ILE 77 Cb 0.01 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 1x37 s ILE 77 CO 0.38 -0.34 0.70 -0.89 0.00 0.00 0.00 174.94 174.79 1x37 s THR 78 N 4.63 4.51 -0.02 2.92 2.01 -1.26 -0.47 115.64 127.95 1x37 s THR 78 Ca 0.63 1.50 0.02 0.00 0.31 0.00 0.00 61.69 64.15 1x37 s THR 78 Cb -0.21 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1x37 s THR 78 CO 0.25 0.50 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.91 1x37 s VAL 79 N -1.18 0.69 0.00 3.82 1.01 -0.28 -4.93 120.40 119.53 1x37 s VAL 79 Ca 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1x37 s VAL 79 Cb -0.21 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1x37 s VAL 79 CO 0.23 0.22 0.00 1.07 0.00 0.00 0.00 175.10 176.62 1x37 n THR 80 N 3.30 0.00 0.00 3.92 5.66 -1.26 -3.30 114.28 122.60 1x37 n THR 80 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1x37 n THR 80 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1x37 n THR 80 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1x37 n GLU 81 N 0.00 0.48 -0.06 1.09 0.28 -1.26 -2.90 120.64 118.27 1x37 n GLU 81 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 1x37 n GLU 81 Cb 0.00 -0.42 -0.09 0.00 1.43 0.00 0.00 31.44 32.36 1x37 n GLU 81 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1x37 h LYS 82 N 0.00 -0.00 -1.05 3.44 1.57 -2.01 -3.30 116.57 115.22 1x37 h LYS 82 Ca 0.00 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.07 1x37 h LYS 82 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.19 1x37 h LYS 82 CO 0.00 0.69 0.63 -0.91 -0.57 0.00 0.00 179.45 179.29 1x37 h ASN 83 N -1.00 0.53 -0.97 0.86 2.35 -1.95 -0.99 115.58 114.41 1x37 h ASN 83 Ca -0.00 0.14 0.15 0.00 -0.55 0.00 0.00 56.30 56.04 1x37 h ASN 83 Cb 0.69 0.07 -0.16 0.00 0.05 0.00 0.00 38.32 38.97 1x37 h ASN 83 CO 0.00 -0.00 -0.36 0.18 -1.65 0.00 0.00 177.43 175.60 1x37 n LEU 84 N -4.85 -0.60 -0.35 1.61 7.99 -1.24 0.23 117.00 119.79 1x37 n LEU 84 Ca 0.29 1.68 0.03 0.00 -0.01 0.00 0.00 56.01 58.01 1x37 n LEU 84 Cb 0.92 -0.40 0.20 0.00 -0.11 0.00 0.00 43.42 44.03 1x37 n LEU 84 CO 0.17 -1.52 1.26 1.56 -1.51 0.00 0.00 177.39 177.35 1x37 h GLN 85 N 0.00 1.09 -0.91 3.23 4.20 -1.37 0.50 115.11 121.85 1x37 h GLN 85 Ca 0.35 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 59.06 1x37 h GLN 85 Cb 0.59 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 1x37 h GLN 85 CO -0.96 0.72 0.59 0.22 -0.67 0.00 0.00 178.83 178.73 1x37 h ASP 86 N 1.12 0.92 0.05 1.46 1.82 0.28 2.59 116.42 124.66 1x37 h ASP 86 Ca 0.42 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.06 1x37 h ASP 86 Cb 0.18 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1x37 h ASP 86 CO -0.16 0.60 -0.02 -0.26 -1.61 0.00 0.00 179.24 177.78 1x37 h PHE 87 N 1.05 -0.06 0.20 0.28 0.04 0.10 -3.39 116.94 115.16 1x37 h PHE 87 Ca 0.39 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.15 1x37 h PHE 87 Cb 0.17 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1x37 h PHE 87 CO -0.00 0.45 -0.10 0.82 -0.60 0.00 0.00 178.31 178.89 1x37 h ILE 88 N -0.96 0.00 0.00 -0.55 2.04 -0.83 -3.50 117.51 113.71 1x37 h ILE 88 Ca -0.01 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1x37 h ILE 88 Cb 0.54 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1x37 h ILE 88 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.77 1x37 n GLY 89 N 1.07 1.93 2.21 5.37 0.00 0.87 -5.03 105.19 111.61 1x37 n GLY 89 Ca -0.03 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 1x37 n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x37 n LYS 90 N 0.00 1.14 0.00 1.61 2.85 -1.26 -4.69 118.16 117.81 1x37 n LYS 90 Ca 0.00 -2.12 0.00 0.00 -1.05 0.00 0.00 58.31 55.14 1x37 n LYS 90 Cb 0.00 0.40 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 1x37 n LYS 90 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1x37 n ARG 91 N -1.01 1.67 0.07 -1.58 1.74 -1.26 -5.01 116.66 111.27 1x37 n ARG 91 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1x37 n ARG 91 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 1x37 n ARG 91 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1x37 n ILE 92 N 0.00 0.10 -2.35 0.55 5.41 -1.26 -5.04 119.36 116.77 1x37 n ILE 92 Ca 0.00 0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 1x37 n ILE 92 Cb 0.00 -0.67 -0.02 0.00 -0.71 0.00 0.00 39.64 38.24 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 2.69 -1.39 1.39 0.40 -1.26 -4.91 117.98 112.90 1x37 s PHE 93 Ca 0.00 0.87 -0.11 0.00 -0.60 0.00 0.00 56.93 57.09 1x37 s PHE 93 Cb 0.00 -3.59 0.08 0.00 0.51 0.00 0.00 43.02 40.03 1x37 s PHE 93 CO 0.00 -2.06 2.20 -2.13 0.70 0.00 0.00 175.22 173.93 1x37 n ARG 94 N 6.73 3.48 -0.22 0.44 0.63 -1.26 -5.00 116.66 121.46 1x37 n ARG 94 Ca 0.15 -3.03 0.00 0.00 -0.92 0.00 0.00 57.85 54.05 1x37 n ARG 94 Cb 0.45 -3.00 0.00 0.00 0.45 0.00 0.00 32.46 30.35 1x37 n ARG 94 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10