#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 0.89 3.33 0.00 0.00 -1.26 -5.03 105.19 103.12 1x37 n GLY 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1x37 n GLY 2 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1x37 n TYR 3 N 0.00 4.35 -0.30 1.61 9.36 -1.26 -4.51 117.16 126.41 1x37 n TYR 3 Ca -0.03 -2.94 0.00 0.00 3.32 0.00 0.00 57.90 58.24 1x37 n TYR 3 Cb 0.50 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.70 1x37 n TYR 3 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1x37 n THR 4 N 5.65 0.00 0.14 2.97 5.66 -1.26 -4.97 114.28 122.48 1x37 n THR 4 Ca 0.47 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.23 1x37 n THR 4 Cb 0.43 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.05 1x37 n THR 4 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1x37 h GLU 5 N 0.00 0.53 -0.78 1.09 4.11 -2.01 -3.29 114.58 114.22 1x37 h GLU 5 Ca 0.00 -0.90 -0.04 0.00 0.07 0.00 0.00 59.36 58.48 1x37 h GLU 5 Cb 0.00 0.34 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1x37 h GLU 5 CO 0.00 1.43 0.32 -0.84 0.07 0.00 0.00 179.01 180.00 1x37 h ILE 6 N 0.13 1.26 0.10 -1.06 3.07 -1.96 -1.82 117.51 117.23 1x37 h ILE 6 Ca -0.26 -0.79 -0.00 0.00 1.55 0.00 0.00 64.86 65.35 1x37 h ILE 6 Cb 2.16 0.31 -0.00 0.00 -0.27 0.00 0.00 36.82 39.01 1x37 h ILE 6 CO 0.27 0.33 -0.09 -0.08 -1.05 0.00 0.00 178.15 177.52 1x37 h GLU 7 N 1.13 -0.18 -1.00 0.16 4.57 -1.79 0.23 114.58 117.70 1x37 h GLU 7 Ca 0.26 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.65 1x37 h GLU 7 Cb 0.19 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.72 1x37 h GLU 7 CO -0.02 -0.12 0.61 1.57 -1.18 0.00 0.00 179.01 179.87 1x37 h LYS 8 N -0.19 0.68 -0.27 1.92 2.10 -1.63 -0.57 116.57 118.61 1x37 h LYS 8 Ca -0.01 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1x37 h LYS 8 Cb 0.16 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1x37 h LYS 8 CO -0.01 0.45 0.09 -0.07 -2.00 0.00 0.00 179.45 177.91 1x37 h LEU 9 N 0.70 0.39 0.04 7.07 -0.00 -0.92 0.27 115.31 122.86 1x37 h LEU 9 Ca 0.57 -0.20 0.01 0.00 -0.00 0.00 0.00 57.88 58.27 1x37 h LEU 9 Cb 0.98 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.52 1x37 h LEU 9 CO -0.36 0.48 -0.11 -0.08 -0.00 0.00 0.00 178.44 178.37 1x37 h GLU 10 N 0.28 -0.20 0.22 1.13 4.22 0.10 -1.61 114.58 118.72 1x37 h GLU 10 Ca 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 1x37 h GLU 10 Cb 0.23 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1x37 h GLU 10 CO -0.00 -0.14 -0.11 -0.84 -2.18 0.00 0.00 179.01 175.74 1x37 h ILE 11 N -0.21 0.00 -1.03 2.32 3.07 -1.33 -1.95 117.51 118.38 1x37 h ILE 11 Ca 0.03 -0.42 0.42 0.00 1.55 0.00 0.00 64.86 66.43 1x37 h ILE 11 Cb 0.24 0.00 -0.17 0.00 -0.27 0.00 0.00 36.82 36.62 1x37 h ILE 11 CO -0.08 0.00 0.57 0.52 -1.05 0.00 0.00 178.15 178.11 1x37 n VAL 12 N -3.98 -0.40 0.11 0.16 0.31 0.94 0.04 118.33 115.52 1x37 n VAL 12 Ca -0.04 1.98 -0.23 0.00 -0.01 0.00 0.00 64.34 66.05 1x37 n VAL 12 Cb 0.12 -3.23 -0.15 0.00 -0.91 0.00 0.00 33.84 29.67 1x37 n VAL 12 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1x37 h LYS 13 N 0.00 0.44 0.24 5.55 5.09 -1.35 -3.24 116.57 123.29 1x37 h LYS 13 Ca 0.84 -0.75 -0.34 0.00 0.09 0.00 0.00 60.65 60.49 1x37 h LYS 13 Cb 2.29 0.28 0.03 0.00 0.10 0.00 0.00 32.23 34.93 1x37 h LYS 13 CO -0.73 1.35 -1.55 0.22 -2.09 0.00 0.00 179.45 176.65 1x37 h ASP 14 N 0.12 0.79 -0.01 7.07 1.82 0.09 -3.37 116.42 122.94 1x37 h ASP 14 Ca -0.28 -0.91 -0.20 0.00 -0.39 0.00 0.00 57.03 55.25 1x37 h ASP 14 Cb 2.12 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.87 1x37 h ASP 14 CO 0.22 1.73 -0.71 1.12 -1.61 0.00 0.00 179.24 179.99 1x37 h HIS 15 N 0.14 0.86 -1.14 0.28 2.07 -0.57 -3.30 115.15 113.49 1x37 h HIS 15 Ca -0.28 -0.36 0.42 0.00 -2.85 0.00 0.00 60.37 57.30 1x37 h HIS 15 Cb 2.16 -0.14 -0.14 0.00 2.57 0.00 0.00 27.41 31.86 1x37 h HIS 15 CO 0.12 1.16 0.70 1.47 -3.07 0.00 0.00 177.93 178.31 1x37 n LEU 16 N -3.91 0.23 0.05 6.12 -0.00 -1.22 -0.32 117.00 117.94 1x37 n LEU 16 Ca -0.06 1.35 -0.02 0.00 -0.00 0.00 0.00 56.01 57.28 1x37 n LEU 16 Cb 0.70 -0.66 -0.01 0.00 -0.00 0.00 0.00 43.42 43.45 1x37 n LEU 16 CO 0.50 -1.48 0.18 -0.07 -0.00 0.00 0.00 177.39 176.52 1x37 h LEU 17 N 0.00 -0.12 -0.09 1.47 3.38 -1.81 -3.33 115.31 114.81 1x37 h LEU 17 Ca 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.74 1x37 h LEU 17 Cb 2.40 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 43.18 1x37 h LEU 17 CO -0.52 0.01 -0.05 1.55 0.09 0.00 0.00 178.44 179.53 1x37 h PRO 18 N -0.34 0.19 -0.76 1.13 0.13 -1.59 -2.45 132.00 128.33 1x37 h PRO 18 Ca -0.01 -0.09 0.14 0.00 -0.87 0.00 0.00 66.00 65.17 1x37 h PRO 18 Cb 0.11 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.09 1x37 h PRO 18 CO 0.02 0.55 -0.26 -0.22 -0.23 0.00 0.00 178.00 177.87 1x37 h LYS 19 N -0.17 -0.04 0.02 0.86 3.11 -0.88 0.23 116.57 119.69 1x37 h LYS 19 Ca 0.02 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1x37 h LYS 19 Cb 0.50 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1x37 h LYS 19 CO 0.01 -0.03 -0.01 1.96 -2.81 0.00 0.00 179.45 178.58 1x37 h GLN 20 N -0.05 -0.02 -1.04 1.90 1.08 -1.67 -3.31 115.11 112.01 1x37 h GLN 20 Ca 0.33 0.00 0.27 0.00 -1.45 0.00 0.00 58.65 57.80 1x37 h GLN 20 Cb 0.57 0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 27.90 1x37 h GLN 20 CO -0.79 0.74 0.65 0.97 -0.95 0.00 0.00 178.83 179.45 1x37 h ILE 21 N -0.90 0.51 0.00 2.54 6.09 -1.04 0.93 117.51 125.63 1x37 h ILE 21 Ca -0.00 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1x37 h ILE 21 Cb 0.77 0.03 0.00 0.00 0.47 0.00 0.00 36.82 38.09 1x37 h ILE 21 CO 0.00 0.08 0.00 1.17 -3.07 0.00 0.00 178.15 176.33 1x37 n LYS 22 N -4.72 0.00 -0.37 2.19 4.81 0.03 0.62 118.16 120.73 1x37 n LYS 22 Ca 0.26 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 58.01 1x37 n LYS 22 Cb 0.86 -0.84 0.57 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 0.17 0.22 1.64 4.39 -1.63 0.95 114.58 120.32 1x37 h GLU 23 Ca 0.00 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.37 1x37 h GLU 23 Cb 0.00 -0.04 0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1x37 h GLU 23 CO 0.00 0.11 -1.45 0.45 -1.16 0.00 0.00 179.01 176.96 1x37 h HIS 24 N 0.17 0.84 -1.20 4.33 3.86 -0.81 -3.29 115.15 119.06 1x37 h HIS 24 Ca 0.78 -0.61 0.43 0.00 -1.16 0.00 0.00 60.37 59.81 1x37 h HIS 24 Cb 2.11 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 30.40 1x37 h HIS 24 CO -0.01 1.50 0.73 0.78 0.86 0.00 0.00 177.93 181.79 1x37 h GLY 25 N 0.59 1.73 -0.94 2.45 0.00 2.61 0.19 103.07 109.71 1x37 h GLY 25 Ca -0.24 -0.13 0.38 0.00 0.00 0.00 0.00 47.33 47.34 1x37 h GLY 25 CO 0.25 -0.57 0.53 1.04 0.00 0.00 0.00 176.54 177.78 1x37 n LEU 26 N -4.93 0.29 -4.97 3.11 4.32 -1.05 -4.17 117.00 109.60 1x37 n LEU 26 Ca 0.38 1.42 -0.21 0.00 -0.02 0.00 0.00 56.01 57.58 1x37 n LEU 26 Cb 1.38 -0.70 -0.02 0.00 -1.62 0.00 0.00 43.42 42.46 1x37 n LEU 26 CO 0.12 -1.59 -0.01 -0.54 -1.22 0.00 0.00 177.39 174.15 1x37 s LYS 27 N -5.29 3.44 0.81 3.23 1.02 0.67 -5.05 119.74 118.57 1x37 s LYS 27 Ca -0.08 -0.71 -0.17 0.00 0.02 0.00 0.00 55.97 55.03 1x37 s LYS 27 Cb 0.30 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.64 1x37 s LYS 27 CO 0.69 0.39 -0.25 1.17 -0.92 0.00 0.00 175.35 176.43 1x37 n LYS 28 N -1.46 0.02 -1.51 1.68 4.81 -1.26 -4.34 118.16 116.10 1x37 n LYS 28 Ca -0.08 0.02 -0.27 0.00 -0.87 0.00 0.00 58.31 57.11 1x37 n LYS 28 Cb 0.57 -1.25 -0.18 0.00 0.02 0.00 0.00 35.03 34.20 1x37 n LYS 28 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1x37 n SER 29 N 2.01 -0.33 -2.42 3.14 7.64 -1.26 -4.71 113.62 117.69 1x37 n SER 29 Ca 0.04 -0.46 -0.26 0.00 1.01 0.00 0.00 58.87 59.20 1x37 n SER 29 Cb 0.52 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 9.21 4.70 -3.64 6.43 5.15 -1.26 -4.17 115.26 131.69 1x37 n ASN 30 Ca 0.63 -3.71 -0.09 0.00 -0.60 0.00 0.00 54.58 50.81 1x37 n ASN 30 Cb 0.17 -0.44 -0.07 0.00 -0.53 0.00 0.00 39.78 38.91 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 -3.54 -0.85 -0.45 1.20 2.96 -1.26 -4.21 118.68 112.52 1x37 s LEU 31 Ca 0.48 1.44 0.05 0.00 -0.22 0.00 0.00 54.13 55.88 1x37 s LEU 31 Cb 0.40 2.35 0.18 0.00 0.50 0.00 0.00 46.19 49.62 1x37 s LEU 31 CO -0.16 -0.23 0.51 -1.10 -1.32 0.00 0.00 176.35 174.05 1x37 s GLN 32 N 1.26 0.93 0.37 1.98 -0.21 0.55 -4.72 119.66 119.82 1x37 s GLN 32 Ca -0.07 -1.47 0.07 0.00 0.02 0.00 0.00 55.36 53.91 1x37 s GLN 32 Cb -0.05 -0.73 -0.01 0.00 1.00 0.00 0.00 33.01 33.22 1x37 s GLN 32 CO -0.14 -1.33 0.43 -0.48 -2.12 0.00 0.00 175.29 171.65 1x37 s LEU 33 N 0.62 3.71 0.00 2.90 2.34 -1.26 -0.82 118.68 126.17 1x37 s LEU 33 Ca 0.29 -0.41 0.00 0.00 0.06 0.00 0.00 54.13 54.07 1x37 s LEU 33 Cb -0.01 -2.48 -0.00 0.00 -0.56 0.00 0.00 46.19 43.15 1x37 s LEU 33 CO -0.11 -0.52 0.00 0.54 -1.06 0.00 0.00 176.35 175.20 1x37 n ARG 34 N -1.60 1.55 0.08 1.48 1.74 -1.24 -4.92 116.66 113.74 1x37 n ARG 34 Ca 0.02 -0.21 -0.21 0.00 -0.77 0.00 0.00 57.85 56.68 1x37 n ARG 34 Cb 0.59 0.08 -0.15 0.00 -1.02 0.00 0.00 32.46 31.96 1x37 n ARG 34 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1x37 h ASP 35 N 0.08 0.57 -0.99 0.55 1.82 -2.00 -3.31 116.42 113.13 1x37 h ASP 35 Ca -0.02 -0.94 0.09 0.00 -0.39 0.00 0.00 57.03 55.76 1x37 h ASP 35 Cb 0.07 -0.19 -0.07 0.00 0.68 0.00 0.00 39.33 39.82 1x37 h ASP 35 CO 0.04 1.48 0.63 1.56 -1.61 0.00 0.00 179.24 181.34 1x37 h GLN 36 N -0.23 1.05 0.00 0.28 4.20 -1.97 -1.61 115.11 116.83 1x37 h GLN 36 Ca -0.18 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1x37 h GLN 36 Cb 1.79 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.33 1x37 h GLN 36 CO 0.18 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 179.04 1x37 n ALA 37 N -2.36 -0.26 -0.14 3.87 0.00 -1.24 -0.41 120.51 119.97 1x37 n ALA 37 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.57 1x37 n ALA 37 Cb 0.26 0.16 0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 0.44 -0.58 0.00 2.04 -1.65 -0.58 117.51 117.19 1x37 h ILE 38 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1x37 h ILE 38 Cb 0.00 0.44 -0.11 0.00 -0.74 0.00 0.00 36.82 36.41 1x37 h ILE 38 CO 0.00 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.89 1x37 h LEU 39 N -0.07 -0.69 -0.38 1.44 3.38 -1.13 0.57 115.31 118.44 1x37 h LEU 39 Ca 0.22 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.44 1x37 h LEU 39 Cb 0.40 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1x37 h LEU 39 CO -0.51 -0.23 0.03 0.44 0.09 0.00 0.00 178.44 178.26 1x37 h ASP 40 N -0.05 -0.10 0.00 -0.43 3.32 0.83 0.67 116.42 120.66 1x37 h ASP 40 Ca 0.27 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1x37 h ASP 40 Cb 0.47 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1x37 h ASP 40 CO -0.62 -0.01 0.00 -0.38 -1.72 0.00 0.00 179.24 176.51 1x37 n ILE 41 N -5.16 0.00 -0.34 0.35 5.41 0.17 -0.71 119.36 119.08 1x37 n ILE 41 Ca 0.02 0.97 0.24 0.00 1.00 0.00 0.00 62.75 64.98 1x37 n ILE 41 Cb 0.19 -1.67 0.48 0.00 -0.71 0.00 0.00 39.64 37.93 1x37 n ILE 41 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1x37 h ILE 42 N 0.00 0.32 -0.75 1.39 2.10 -1.50 0.30 117.51 119.37 1x37 h ILE 42 Ca 0.00 -0.12 0.08 0.00 1.08 0.00 0.00 64.86 65.91 1x37 h ILE 42 Cb 0.00 -0.05 -0.07 0.00 -1.09 0.00 0.00 36.82 35.62 1x37 h ILE 42 CO 0.00 0.06 0.42 -0.09 -1.08 0.00 0.00 178.15 177.46 1x37 h ARG 43 N 0.34 0.71 0.23 2.19 2.43 -0.07 2.67 114.38 122.88 1x37 h ARG 43 Ca 0.73 -0.04 -0.33 0.00 -0.81 0.00 0.00 59.98 59.52 1x37 h ARG 43 Cb 1.67 -0.16 0.03 0.00 -0.42 0.00 0.00 29.97 31.10 1x37 h ARG 43 CO -0.57 0.47 -1.50 1.88 -1.51 0.00 0.00 179.97 178.74 1x37 h TYR 44 N 0.73 0.90 0.00 2.20 0.05 0.18 -3.37 116.97 117.65 1x37 h TYR 44 Ca 0.36 -0.66 -0.01 0.00 0.05 0.00 0.00 58.73 58.47 1x37 h TYR 44 Cb 0.30 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 1x37 h TYR 44 CO -0.08 1.55 -0.06 1.88 -1.05 0.00 0.00 178.16 180.40 1x37 h TYR 45 N 0.13 0.00 0.00 4.88 -1.99 -0.67 -3.37 116.97 115.95 1x37 h TYR 45 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1x37 h TYR 45 Cb 2.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.87 1x37 h TYR 45 CO 0.12 0.80 0.00 0.25 -0.00 0.00 0.00 178.16 179.33 1x37 n THR 46 N -4.64 0.00 -1.37 -2.88 -2.24 0.89 -4.89 114.28 99.16 1x37 n THR 46 Ca -0.09 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.30 1x37 n THR 46 Cb 0.39 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.64 1x37 n THR 46 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1x37 n ARG 47 N 0.00 0.28 0.01 -0.78 -4.01 -1.26 -4.79 116.66 106.10 1x37 n ARG 47 Ca 0.00 0.11 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 1x37 n ARG 47 Cb 0.00 -1.33 0.00 0.00 -3.04 0.00 0.00 32.46 28.09 1x37 n ARG 47 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 1x37 n GLU 48 N 0.78 0.00 -1.18 2.89 0.28 -1.26 -4.96 120.64 117.19 1x37 n GLU 48 Ca 0.10 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.02 1x37 n GLU 48 Cb 0.45 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.29 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 -2.24 -0.13 0.00 -1.84 0.00 -1.26 -4.60 120.51 110.44 1x37 n ALA 49 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1x37 n ALA 49 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.10 4.08 0.15 0.00 0.00 -1.26 -4.99 105.19 103.07 1x37 n GLY 50 Ca -0.08 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 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 3.22 1.28 -0.62 1.61 -1.51 -2.00 -3.17 116.25 115.07 1x37 h VAL 51 Ca 0.00 -2.70 0.06 0.00 -1.23 0.00 0.00 66.70 62.83 1x37 h VAL 51 Cb 0.00 3.05 -0.09 0.00 -2.13 0.00 0.00 31.29 32.11 1x37 h VAL 51 CO 0.00 0.81 -0.54 -0.09 -1.23 0.00 0.00 177.57 176.53 1x37 h ARG 52 N 0.15 -0.21 -0.78 5.19 9.65 -1.94 0.33 114.38 126.78 1x37 h ARG 52 Ca -0.26 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.67 1x37 h ARG 52 Cb 2.18 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 30.75 1x37 h ARG 52 CO 0.28 -0.14 0.49 0.77 2.80 0.00 0.00 179.97 184.17 1x37 h SER 53 N -0.21 0.80 0.05 -3.80 0.02 -1.86 -1.77 113.55 106.78 1x37 h SER 53 Ca 0.10 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1x37 h SER 53 Cb 0.48 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 1x37 h SER 53 CO -0.70 0.54 -0.53 0.25 -1.14 0.00 0.00 176.83 175.26 1x37 h LEU 54 N 0.94 -1.62 -1.07 5.07 6.46 -0.47 0.29 115.31 124.90 1x37 h LEU 54 Ca 0.32 0.18 0.22 0.00 -0.12 0.00 0.00 57.88 58.47 1x37 h LEU 54 Cb 0.04 0.61 -0.11 0.00 -0.73 0.00 0.00 40.66 40.47 1x37 h LEU 54 CO -0.12 -0.54 0.61 -0.33 -0.62 0.00 0.00 178.44 177.44 1x37 h GLU 55 N -0.71 0.62 -0.87 1.25 5.08 -0.28 0.46 114.58 120.13 1x37 h GLU 55 Ca 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1x37 h GLU 55 Cb 0.74 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1x37 h GLU 55 CO -0.33 0.41 0.47 -0.09 -1.00 0.00 0.00 179.01 178.47 1x37 h ARG 56 N 0.64 1.21 -0.03 2.33 2.43 0.30 0.10 114.38 121.36 1x37 h ARG 56 Ca 0.60 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1x37 h ARG 56 Cb 1.11 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1x37 h ARG 56 CO -0.40 0.89 0.01 0.37 -1.51 0.00 0.00 179.97 179.34 1x37 h GLN 57 N 1.22 0.05 -0.58 0.20 4.15 0.27 0.17 115.11 120.58 1x37 h GLN 57 Ca 0.30 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 1x37 h GLN 57 Cb 0.04 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1x37 h GLN 57 CO -0.05 0.18 0.27 -0.07 -1.93 0.00 0.00 178.83 177.23 1x37 h LEU 58 N -0.09 0.77 -1.15 -2.39 3.38 -1.04 -1.71 115.31 113.08 1x37 h LEU 58 Ca 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1x37 h LEU 58 Cb 0.15 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1x37 h LEU 58 CO -0.00 0.69 0.44 0.00 0.09 0.00 0.00 178.44 179.66 1x37 h ALA 59 N 1.10 1.36 0.36 1.53 0.00 -0.59 -0.07 119.26 122.96 1x37 h ALA 59 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1x37 h ALA 59 Cb 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1x37 h ALA 59 CO -0.02 0.54 -0.17 0.00 0.00 0.00 0.00 179.25 179.60 1x37 h ALA 60 N 1.44 -0.49 -0.29 0.00 0.00 0.17 -1.54 119.26 118.56 1x37 h ALA 60 Ca 0.27 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1x37 h ALA 60 Cb -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1x37 h ALA 60 CO -0.05 -0.73 0.04 0.97 0.00 0.00 0.00 179.25 179.48 1x37 h ILE 61 N -0.58 1.24 0.14 0.00 2.10 -1.14 0.14 117.51 119.41 1x37 h ILE 61 Ca -0.05 -0.83 -0.00 0.00 1.08 0.00 0.00 64.86 65.06 1x37 h ILE 61 Cb 0.43 1.23 -0.02 0.00 -1.09 0.00 0.00 36.82 37.37 1x37 h ILE 61 CO 0.08 0.27 -0.24 0.00 -1.08 0.00 0.00 178.15 177.18 1x37 h ARG 63 N -0.40 0.80 -1.05 0.00 0.11 -1.33 -0.06 114.38 112.45 1x37 h ARG 63 Ca -0.02 -0.05 0.36 0.00 0.10 0.00 0.00 59.98 60.38 1x37 h ARG 63 Cb 0.37 -0.18 -0.15 0.00 1.11 0.00 0.00 29.97 31.12 1x37 h ARG 63 CO -0.08 0.53 0.61 -0.22 0.10 0.00 0.00 179.97 180.90 1x37 h LYS 64 N 0.82 0.20 -0.16 0.08 3.64 -0.36 2.60 116.57 123.40 1x37 h LYS 64 Ca 0.26 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.42 1x37 h LYS 64 Cb -0.01 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1x37 h LYS 64 CO -0.09 0.14 -0.72 0.00 -2.27 0.00 0.00 179.45 176.50 1x37 h ALA 65 N 1.85 0.42 -0.95 5.00 0.00 -0.00 -3.11 119.26 122.46 1x37 h ALA 65 Ca 0.77 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1x37 h ALA 65 Cb 1.94 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.64 1x37 h ALA 65 CO -0.61 0.70 0.62 0.00 0.00 0.00 0.00 179.25 179.96 1x37 h ALA 66 N 0.68 1.23 -0.98 0.00 0.00 0.53 -1.74 119.26 118.98 1x37 h ALA 66 Ca -0.03 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1x37 h ALA 66 Cb 1.33 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1x37 h ALA 66 CO 0.14 0.55 0.64 0.87 0.00 0.00 0.00 179.25 181.45 1x37 h LYS 67 N 1.24 1.21 0.00 0.00 1.79 -0.55 0.56 116.57 120.82 1x37 h LYS 67 Ca 0.36 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1x37 h LYS 67 Cb -0.08 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.30 1x37 h LYS 67 CO -0.10 0.80 0.00 0.00 -1.08 0.00 0.00 179.45 179.07 1x37 n ALA 68 N -2.38 1.36 -0.04 3.86 0.00 -0.65 -2.88 120.51 119.77 1x37 n ALA 68 Ca 0.13 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.81 1x37 n ALA 68 Cb 0.09 -0.92 0.61 0.00 0.00 0.00 0.00 19.45 19.23 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 0.19 0.00 0.00 2.10 -0.96 1.86 117.51 120.71 1x37 h ILE 69 Ca 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.88 1x37 h ILE 69 Cb 0.00 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 36.09 1x37 h ILE 69 CO 0.00 0.00 -0.29 1.62 -1.08 0.00 0.00 178.15 178.40 1x37 h VAL 70 N 0.00 0.65 0.00 2.19 3.04 -1.80 -3.44 116.25 116.89 1x37 h VAL 70 Ca 0.32 -1.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 1x37 h VAL 70 Cb 1.88 1.93 0.00 0.00 -2.01 0.00 0.00 31.29 33.09 1x37 h VAL 70 CO -0.00 0.29 0.00 0.00 -1.01 0.00 0.00 177.57 176.84 1x37 n ALA 71 N -2.23 0.00 -2.61 3.17 0.00 0.63 -4.99 120.51 114.49 1x37 n ALA 71 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1x37 n ALA 71 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 1x37 n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x37 s GLU 72 N 0.00 3.91 0.06 0.00 8.01 -1.26 -4.88 118.70 124.54 1x37 s GLU 72 Ca 0.00 0.29 0.00 0.00 0.01 0.00 0.00 54.97 55.27 1x37 s GLU 72 Cb 0.00 -3.26 0.00 0.00 -4.31 0.00 0.00 34.13 26.56 1x37 s GLU 72 CO 0.00 0.61 0.00 -0.85 0.01 0.00 0.00 175.26 175.03 1x37 n GLU 73 N 2.19 0.00 -0.50 1.61 0.28 -1.26 -4.99 120.64 117.98 1x37 n GLU 73 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 1x37 n GLU 73 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 1x37 n GLU 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1x37 n ARG 74 N -2.63 -1.15 -3.57 3.44 1.74 -1.26 -4.72 116.66 108.51 1x37 n ARG 74 Ca 0.00 0.18 0.03 0.00 -0.77 0.00 0.00 57.85 57.29 1x37 n ARG 74 Cb 0.00 -3.71 -0.00 0.00 -1.02 0.00 0.00 32.46 27.73 1x37 n ARG 74 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1x37 s LYS 75 N -0.99 0.08 0.51 5.56 -2.85 -1.26 -5.14 119.74 115.65 1x37 s LYS 75 Ca 0.00 -0.04 -0.19 0.00 -1.00 0.00 0.00 55.97 54.74 1x37 s LYS 75 Cb 0.00 0.03 -0.11 0.00 -2.06 0.00 0.00 37.83 35.68 1x37 s LYS 75 CO 0.00 -0.04 0.35 0.54 0.10 0.00 0.00 175.35 176.31 1x37 n ARG 76 N -0.47 0.38 -3.04 1.78 1.74 -1.26 -4.87 116.66 110.92 1x37 n ARG 76 Ca -0.09 0.14 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 1x37 n ARG 76 Cb 0.63 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.56 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 -1.74 4.89 0.09 0.55 1.01 -1.26 -4.87 121.20 119.88 1x37 s ILE 77 Ca 0.64 1.11 -0.25 0.00 0.00 0.00 0.00 60.65 62.15 1x37 s ILE 77 Cb -0.50 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 37.87 1x37 s ILE 77 CO 0.58 -0.12 0.76 -0.89 0.00 0.00 0.00 174.94 175.28 1x37 s THR 78 N 2.71 4.61 -0.29 2.92 2.01 -1.26 -0.33 115.64 126.01 1x37 s THR 78 Ca 0.29 1.65 0.03 0.00 0.31 0.00 0.00 61.69 63.96 1x37 s THR 78 Cb -0.15 -4.12 0.07 0.00 0.01 0.00 0.00 72.50 68.32 1x37 s THR 78 CO 0.11 0.42 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.72 1x37 s VAL 79 N -0.44 2.26 0.40 3.82 1.01 0.00 -4.90 120.40 122.56 1x37 s VAL 79 Ca 0.37 -1.85 0.07 0.00 0.00 0.00 0.00 61.98 60.58 1x37 s VAL 79 Cb -0.21 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 1x37 s VAL 79 CO 0.24 -0.22 0.02 0.42 0.00 0.00 0.00 175.10 175.57 1x37 s THR 80 N 1.05 2.08 0.51 3.92 -4.23 -1.26 -3.70 115.64 114.01 1x37 s THR 80 Ca -0.03 -1.98 0.35 0.00 -1.18 0.00 0.00 61.69 58.85 1x37 s THR 80 Cb -0.20 -2.96 0.54 0.00 1.34 0.00 0.00 72.50 71.23 1x37 s THR 80 CO -0.06 -0.03 1.75 1.05 -0.54 0.00 0.00 174.62 176.80 1x37 h GLU 81 N 1.75 0.08 0.20 3.99 4.11 -1.88 0.21 114.58 123.02 1x37 h GLU 81 Ca -0.44 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1x37 h GLU 81 Cb 1.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1x37 h GLU 81 CO 0.78 0.05 -0.09 -0.22 0.07 0.00 0.00 179.01 179.60 1x37 h LYS 82 N 0.08 -0.25 -1.08 1.06 1.63 -1.99 -3.19 116.57 112.82 1x37 h LYS 82 Ca 0.64 0.02 0.32 0.00 -0.85 0.00 0.00 60.65 60.78 1x37 h LYS 82 Cb 2.36 0.06 -0.12 0.00 -0.60 0.00 0.00 32.23 33.92 1x37 h LYS 82 CO -0.10 -0.17 0.66 -0.91 -3.45 0.00 0.00 179.45 175.49 1x37 h ASN 83 N -0.50 0.46 -0.96 4.20 -0.26 -1.61 0.12 115.58 117.03 1x37 h ASN 83 Ca -0.03 0.14 0.29 0.00 -0.56 0.00 0.00 56.30 56.14 1x37 h ASN 83 Cb 0.20 0.08 -0.18 0.00 -1.06 0.00 0.00 38.32 37.37 1x37 h ASN 83 CO 0.04 -0.05 0.12 -0.11 -1.06 0.00 0.00 177.43 176.38 1x37 n LEU 84 N -4.82 -0.02 -0.27 1.61 7.94 0.62 0.21 117.00 122.27 1x37 n LEU 84 Ca 0.30 1.62 -0.07 0.00 -1.11 0.00 0.00 56.01 56.75 1x37 n LEU 84 Cb 1.02 -0.63 0.06 0.00 0.53 0.00 0.00 43.42 44.39 1x37 n LEU 84 CO 0.18 -1.67 0.98 1.56 -1.11 0.00 0.00 177.39 177.33 1x37 h GLN 85 N 0.00 1.17 -0.98 1.96 4.20 -0.86 0.22 115.11 120.82 1x37 h GLN 85 Ca 0.63 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 59.10 1x37 h GLN 85 Cb 1.39 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.96 1x37 h GLN 85 CO -0.87 0.99 0.65 -0.44 -0.67 0.00 0.00 178.83 178.49 1x37 h ASP 86 N 1.12 1.11 0.00 1.46 5.19 0.24 1.00 116.42 126.54 1x37 h ASP 86 Ca 0.24 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1x37 h ASP 86 Cb 0.32 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1x37 h ASP 86 CO -0.01 0.79 0.00 0.49 -3.12 0.00 0.00 179.24 177.40 1x37 n PHE 87 N -4.40 0.00 -0.20 4.55 3.72 -0.62 -4.24 117.46 116.27 1x37 n PHE 87 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1x37 n PHE 87 Cb 0.03 -0.40 0.11 0.00 -0.94 0.00 0.00 39.48 38.29 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 0.75 0.00 4.37 2.04 -1.06 -3.47 117.51 120.15 1x37 h ILE 88 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1x37 h ILE 88 Cb 0.00 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1x37 h ILE 88 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.83 1x37 n GLY 89 N -1.30 2.64 3.40 5.37 0.00 0.35 -5.01 105.19 110.64 1x37 n GLY 89 Ca 0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 1.18 0.34 1.61 2.20 -1.26 -4.68 119.74 119.13 1x37 s LYS 90 Ca 0.00 -0.44 -0.21 0.00 -0.36 0.00 0.00 55.97 54.96 1x37 s LYS 90 Cb 0.00 0.54 -0.10 0.00 -1.51 0.00 0.00 37.83 36.76 1x37 s LYS 90 CO 0.00 -0.49 0.86 1.03 -0.36 0.00 0.00 175.35 176.40 1x37 s ARG 91 N -3.41 4.28 -0.16 4.03 0.52 -1.26 -4.98 118.95 117.98 1x37 s ARG 91 Ca -0.00 1.04 0.18 0.00 -0.52 0.00 0.00 55.73 56.42 1x37 s ARG 91 Cb -0.00 -2.53 -0.25 0.00 0.52 0.00 0.00 34.95 32.68 1x37 s ARG 91 CO -0.10 0.17 0.21 -0.89 0.02 0.00 0.00 175.30 174.72 1x37 n ILE 92 N 0.00 1.31 -3.63 1.52 5.41 -1.26 -4.92 119.36 117.79 1x37 n ILE 92 Ca 0.03 -0.82 -0.38 0.00 1.00 0.00 0.00 62.75 62.59 1x37 n ILE 92 Cb 0.52 -0.51 -0.06 0.00 -0.71 0.00 0.00 39.64 38.88 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 -2.60 3.68 -1.15 1.39 0.40 -1.26 -5.01 117.98 113.43 1x37 s PHE 93 Ca -0.09 0.84 -0.07 0.00 -0.60 0.00 0.00 56.93 57.01 1x37 s PHE 93 Cb 0.07 -2.17 0.26 0.00 0.51 0.00 0.00 43.02 41.69 1x37 s PHE 93 CO 0.83 0.67 1.53 0.54 0.70 0.00 0.00 175.22 179.50 1x37 n ARG 94 N 1.89 4.07 0.00 0.44 5.12 -1.26 -5.02 116.66 121.90 1x37 n ARG 94 Ca -0.16 -4.23 0.00 0.00 -1.93 0.00 0.00 57.85 51.53 1x37 n ARG 94 Cb 0.53 -2.66 0.00 0.00 -1.16 0.00 0.00 32.46 29.18 1x37 n ARG 94 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68