#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c52 n ALA 2 N 0.00 -3.68 -3.93 1.69 0.00 -1.26 -5.01 120.51 108.32 1c52 n ALA 2 Ca 0.00 2.23 -0.33 0.00 0.00 0.00 0.00 53.44 55.34 1c52 n ALA 2 Cb 0.00 -4.35 -0.14 0.00 0.00 0.00 0.00 19.45 14.95 1c52 n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1c52 s ASP 3 N -0.66 4.75 0.42 0.00 -1.08 -1.26 -4.99 116.67 113.85 1c52 s ASP 3 Ca -0.26 -1.70 0.11 0.00 -0.52 0.00 0.00 52.55 50.18 1c52 s ASP 3 Cb 0.02 -1.65 0.94 0.00 -1.46 0.00 0.00 42.92 40.77 1c52 s ASP 3 CO 0.74 -0.31 1.99 1.23 0.52 0.00 0.00 175.17 179.34 1c52 h GLY 4 N 7.80 0.65 1.61 2.66 0.00 -1.91 -1.19 103.07 112.69 1c52 h GLY 4 Ca -0.14 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1c52 h GLY 4 CO 0.53 0.14 -0.30 0.00 0.00 0.00 0.00 176.54 176.91 1c52 h ALA 5 N 1.69 1.08 -0.14 3.60 0.00 -1.94 -0.54 119.26 123.01 1c52 h ALA 5 Ca 0.26 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1c52 h ALA 5 Cb 0.36 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1c52 h ALA 5 CO -0.07 0.57 -0.53 -0.22 0.00 0.00 0.00 179.25 179.00 1c52 h LYS 6 N 0.39 0.60 -0.26 0.00 1.63 -1.74 -3.07 116.57 114.11 1c52 h LYS 6 Ca 0.05 -0.46 -0.04 0.00 -0.85 0.00 0.00 60.65 59.35 1c52 h LYS 6 Cb 0.72 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 1c52 h LYS 6 CO 0.06 1.08 -0.03 0.82 -3.45 0.00 0.00 179.45 177.93 1c52 h ILE 7 N 0.24 1.17 0.00 2.00 2.04 -1.07 -1.64 117.51 120.26 1c52 h ILE 7 Ca -0.03 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1c52 h ILE 7 Cb 1.16 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1c52 h ILE 7 CO 0.11 0.23 0.00 0.22 0.00 0.00 0.00 178.15 178.71 1c52 h TYR 8 N 0.39 0.00 -0.22 1.37 3.20 -1.00 -1.34 116.97 119.37 1c52 h TYR 8 Ca 0.08 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.02 1c52 h TYR 8 Cb 0.30 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1c52 h TYR 8 CO 0.01 0.00 0.16 0.00 -1.64 0.00 0.00 178.16 176.69 1c52 h ALA 9 N 2.01 2.18 0.00 1.82 0.00 -1.34 0.83 119.26 124.77 1c52 h ALA 9 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1c52 h ALA 9 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1c52 h ALA 9 CO 0.00 -0.27 0.00 1.04 0.00 0.00 0.00 179.25 180.02 1c52 n GLN 10 N -4.43 0.20 -0.02 0.00 6.02 -0.51 -3.17 117.38 115.47 1c52 n GLN 10 Ca 0.02 0.36 0.04 0.00 -0.01 0.00 0.00 57.00 57.42 1c52 n GLN 10 Cb 0.30 -1.84 -0.11 0.00 1.02 0.00 0.00 30.24 29.61 1c52 n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1c52 h ALA 12 N 1.19 1.86 0.00 0.00 0.00 -1.17 -1.04 119.26 120.10 1c52 h ALA 12 Ca -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1c52 h ALA 12 Cb 0.96 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1c52 h ALA 12 CO 0.00 0.13 -0.05 0.78 0.00 0.00 0.00 179.25 180.11 1c52 h GLY 13 N 0.26 0.00 0.00 0.00 0.00 -1.85 0.14 103.07 101.63 1c52 h GLY 13 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1c52 h GLY 13 CO -0.01 0.00 -1.06 0.00 0.00 0.00 0.00 176.54 175.47 1c52 n HIS 15 N -4.46 0.20 -0.32 0.00 8.25 -0.45 -4.22 115.22 114.22 1c52 n HIS 15 Ca -0.16 0.06 0.01 0.00 -0.26 0.00 0.00 57.72 57.36 1c52 n HIS 15 Cb 0.52 -0.56 -0.00 0.00 1.12 0.00 0.00 29.99 31.07 1c52 n HIS 15 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1c52 n GLN 16 N -1.67 -0.82 0.14 -0.41 1.13 0.49 -0.59 117.38 115.65 1c52 n GLN 16 Ca 0.06 0.64 0.05 0.00 -1.94 0.00 0.00 57.00 55.81 1c52 n GLN 16 Cb 0.36 -0.82 0.48 0.00 0.11 0.00 0.00 30.24 30.37 1c52 n GLN 16 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1c52 h GLN 17 N -0.02 0.21 -0.14 -1.09 1.08 -1.95 -0.49 115.11 112.71 1c52 h GLN 17 Ca -0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1c52 h GLN 17 Cb 0.21 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1c52 h GLN 17 CO 0.00 0.24 0.00 0.27 -0.95 0.00 0.00 178.83 178.39 1c52 n ASN 18 N -4.40 1.11 -0.53 1.46 0.23 -1.26 -4.92 115.26 106.96 1c52 n ASN 18 Ca -0.01 -1.71 -0.07 0.00 -0.53 0.00 0.00 54.58 52.26 1c52 n ASN 18 Cb 0.17 -0.09 -0.03 0.00 -2.08 0.00 0.00 39.78 37.75 1c52 n ASN 18 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1c52 n GLY 19 N 0.97 0.76 0.31 4.83 0.00 -0.19 -4.68 105.19 107.18 1c52 n GLY 19 Ca 0.13 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1c52 n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1c52 n GLN 20 N -1.08 1.05 0.00 1.61 6.02 -1.12 0.18 117.38 124.03 1c52 n GLN 20 Ca -0.07 -0.61 0.00 0.00 -0.01 0.00 0.00 57.00 56.31 1c52 n GLN 20 Cb 0.44 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1c52 n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1c52 n GLY 21 N 1.30 0.94 2.60 1.08 0.00 0.24 -4.02 105.19 107.33 1c52 n GLY 21 Ca 0.14 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 1c52 n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c52 s ILE 22 N 0.00 -0.04 0.21 -0.61 1.01 0.78 -4.83 121.20 117.72 1c52 s ILE 22 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 1c52 s ILE 22 Cb 0.00 -0.73 -0.15 0.00 0.01 0.00 0.00 42.46 41.59 1c52 s ILE 22 CO 0.00 -0.42 1.16 -2.65 0.00 0.00 0.00 174.94 173.04 1c52 n PRO 23 N 5.25 1.35 -0.28 2.79 -0.02 -1.26 -0.43 135.00 142.40 1c52 n PRO 23 Ca -0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1c52 n PRO 23 Cb 0.47 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1c52 n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c52 n GLY 24 N 1.85 1.51 1.77 -1.23 0.00 -1.26 -4.78 105.19 103.04 1c52 n GLY 24 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1c52 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c52 n ALA 25 N -0.40 3.00 -3.72 4.61 0.00 0.43 -4.92 120.51 119.52 1c52 n ALA 25 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1c52 n ALA 25 Cb 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 19.45 19.31 1c52 n ALA 25 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1c52 s PHE 26 N -1.49 1.78 0.63 0.00 0.08 0.10 -4.83 117.98 114.26 1c52 s PHE 26 Ca 0.00 -0.84 -0.17 0.00 0.12 0.00 0.00 56.93 56.04 1c52 s PHE 26 Cb 0.00 -1.33 -0.01 0.00 -0.57 0.00 0.00 43.02 41.11 1c52 s PHE 26 CO 0.00 -0.47 1.15 -1.25 -0.10 0.00 0.00 175.22 174.55 1c52 s PRO 27 N 1.15 2.84 0.54 0.24 0.04 -1.26 -0.16 135.00 138.38 1c52 s PRO 27 Ca -0.04 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.39 1c52 s PRO 27 Cb -0.14 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1c52 s PRO 27 CO -0.03 -1.26 1.08 -1.25 0.04 0.00 0.00 177.00 175.58 1c52 s PRO 28 N -3.75 3.50 -0.13 0.56 0.04 -1.26 -4.30 135.00 129.67 1c52 s PRO 28 Ca 0.71 1.42 0.04 0.00 0.04 0.00 0.00 61.00 63.22 1c52 s PRO 28 Cb -0.24 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.14 1c52 s PRO 28 CO 0.37 -0.70 -0.06 1.28 0.04 0.00 0.00 177.00 177.94 1c52 n LEU 29 N -1.36 1.82 -4.71 -3.56 4.77 0.13 -4.68 117.00 109.41 1c52 n LEU 29 Ca 0.10 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 1c52 n LEU 29 Cb 0.52 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1c52 n LEU 29 CO 0.42 0.55 1.35 0.00 -1.33 0.00 0.00 177.39 178.38 1c52 s ALA 30 N -2.27 3.83 0.00 -1.18 0.00 -0.01 -1.25 121.76 120.89 1c52 s ALA 30 Ca -0.13 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1c52 s ALA 30 Cb 0.04 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1c52 s ALA 30 CO 0.37 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1c52 n GLY 31 N 3.97 1.80 0.28 0.00 0.00 -1.26 -4.70 105.19 105.27 1c52 n GLY 31 Ca 0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1c52 n GLY 31 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1c52 h HIS 32 N 0.00 1.08 -0.95 1.61 6.17 -1.71 -3.08 115.15 118.28 1c52 h HIS 32 Ca 0.00 -0.26 0.08 0.00 0.71 0.00 0.00 60.37 60.89 1c52 h HIS 32 Cb 0.00 -0.25 -0.07 0.00 2.52 0.00 0.00 27.41 29.61 1c52 h HIS 32 CO 0.00 1.07 0.61 0.28 0.71 0.00 0.00 177.93 180.60 1c52 h VAL 33 N 0.81 1.03 -0.72 5.26 2.07 -1.45 -1.09 116.25 122.16 1c52 h VAL 33 Ca 0.10 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1c52 h VAL 33 Cb 0.80 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1c52 h VAL 33 CO 0.07 0.19 0.37 0.00 0.02 0.00 0.00 177.57 178.22 1c52 h ALA 34 N 1.51 1.28 -0.69 1.67 0.00 -1.81 -0.17 119.26 121.04 1c52 h ALA 34 Ca 0.42 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1c52 h ALA 34 Cb 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1c52 h ALA 34 CO -0.17 0.56 0.19 0.93 0.00 0.00 0.00 179.25 180.76 1c52 h GLU 35 N 1.02 1.09 -0.27 0.00 4.39 -1.22 -1.88 114.58 117.71 1c52 h GLU 35 Ca 0.25 -0.25 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1c52 h GLU 35 Cb 0.07 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1c52 h GLU 35 CO -0.04 0.96 -0.33 0.82 -1.16 0.00 0.00 179.01 179.27 1c52 h ILE 36 N 1.03 1.31 0.00 3.13 2.04 -0.78 -3.13 117.51 121.11 1c52 h ILE 36 Ca 0.22 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1c52 h ILE 36 Cb 0.34 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1c52 h ILE 36 CO -0.00 0.48 -0.11 -0.07 0.00 0.00 0.00 178.15 178.45 1c52 h LEU 37 N 0.42 0.00 -0.66 1.44 3.38 -0.85 -1.48 115.31 117.56 1c52 h LEU 37 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1c52 h LEU 37 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1c52 h LEU 37 CO 0.08 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1c52 n ALA 38 N -2.33 1.68 -2.50 1.53 0.00 -0.72 -4.71 120.51 113.45 1c52 n ALA 38 Ca -0.02 0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 1c52 n ALA 38 Cb 0.21 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 1c52 n ALA 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1c52 s LYS 39 N -3.30 3.83 0.17 0.00 -0.14 -0.56 -5.02 119.74 114.72 1c52 s LYS 39 Ca 0.04 0.27 -0.31 0.00 -1.36 0.00 0.00 55.97 54.62 1c52 s LYS 39 Cb 0.09 -2.96 -0.09 0.00 -1.68 0.00 0.00 37.83 33.20 1c52 s LYS 39 CO 0.39 0.52 1.38 -2.00 -0.76 0.00 0.00 175.35 174.88 1c52 s GLU 40 N -1.97 4.33 0.00 1.68 2.56 -1.26 -0.88 118.70 123.16 1c52 s GLU 40 Ca 0.35 2.11 0.00 0.00 0.00 0.00 0.00 54.97 57.44 1c52 s GLU 40 Cb -0.14 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 32.79 1c52 s GLU 40 CO 0.19 -0.37 0.00 0.41 -0.56 0.00 0.00 175.26 174.92 1c52 n GLY 41 N 2.90 1.16 0.17 -1.50 0.00 -1.26 -4.84 105.19 101.82 1c52 n GLY 41 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1c52 n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1c52 h GLY 42 N 0.00 0.52 1.34 -0.02 0.00 -1.16 -0.91 103.07 102.84 1c52 h GLY 42 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 1c52 h GLY 42 CO 0.00 0.07 -0.01 0.07 0.00 0.00 0.00 176.54 176.67 1c52 h ARG 43 N 0.36 0.80 -0.44 4.80 0.11 -1.81 -1.98 114.38 116.22 1c52 h ARG 43 Ca 0.17 -0.22 -0.05 0.00 0.10 0.00 0.00 59.98 59.97 1c52 h ARG 43 Cb 0.10 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.08 1c52 h ARG 43 CO -0.14 0.82 0.06 0.93 0.10 0.00 0.00 179.97 181.74 1c52 h GLU 44 N 0.75 0.73 -0.44 0.08 3.07 -1.90 -2.62 114.58 114.25 1c52 h GLU 44 Ca 0.14 -0.20 0.07 0.00 -0.50 0.00 0.00 59.36 58.87 1c52 h GLU 44 Cb 0.47 -0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.24 1c52 h GLU 44 CO 0.02 0.76 0.11 -0.92 -1.40 0.00 0.00 179.01 177.59 1c52 h TYR 45 N 0.59 0.19 -0.88 4.33 3.20 -0.82 0.48 116.97 124.06 1c52 h TYR 45 Ca 0.13 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1c52 h TYR 45 Cb 0.39 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1c52 h TYR 45 CO 0.03 0.04 0.58 -0.07 -1.64 0.00 0.00 178.16 177.10 1c52 h LEU 46 N 0.26 0.99 -0.45 2.82 3.38 -1.19 -0.56 115.31 120.57 1c52 h LEU 46 Ca 0.21 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1c52 h LEU 46 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1c52 h LEU 46 CO -0.26 0.71 0.03 0.40 0.09 0.00 0.00 178.44 179.41 1c52 h ILE 47 N 1.17 1.26 -0.96 1.22 2.04 -0.93 -2.76 117.51 118.54 1c52 h ILE 47 Ca 0.33 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.21 1c52 h ILE 47 Cb -0.09 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1c52 h ILE 47 CO -0.08 0.34 0.63 -0.07 0.00 0.00 0.00 178.15 178.98 1c52 h LEU 48 N 0.62 1.08 -0.54 1.44 3.38 -0.02 -0.48 115.31 120.80 1c52 h LEU 48 Ca 0.13 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1c52 h LEU 48 Cb 0.46 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1c52 h LEU 48 CO 0.02 0.77 0.32 0.58 0.09 0.00 0.00 178.44 180.22 1c52 h VAL 49 N 1.27 1.05 -0.33 1.22 2.07 -1.00 0.13 116.25 120.65 1c52 h VAL 49 Ca 0.36 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.55 1c52 h VAL 49 Cb -0.10 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1c52 h VAL 49 CO -0.09 0.12 -0.24 -0.07 0.02 0.00 0.00 177.57 177.31 1c52 h LEU 50 N 0.64 0.66 0.08 2.57 -0.00 -1.10 0.17 115.31 118.34 1c52 h LEU 50 Ca 0.22 -0.24 -0.25 0.00 -0.00 0.00 0.00 57.88 57.61 1c52 h LEU 50 Cb 0.04 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 1c52 h LEU 50 CO -0.10 0.89 -1.18 -0.07 -0.00 0.00 0.00 178.44 177.97 1c52 h LEU 51 N 0.57 0.26 -0.34 1.67 3.38 -0.81 0.56 115.31 120.61 1c52 h LEU 51 Ca 0.08 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1c52 h LEU 51 Cb 0.71 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1c52 h LEU 51 CO 0.05 1.23 0.00 -1.22 0.09 0.00 0.00 178.44 178.59 1c52 n TYR 52 N -3.45 0.00 -1.14 1.13 4.01 0.41 -4.06 117.16 114.07 1c52 n TYR 52 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1c52 n TYR 52 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1c52 n TYR 52 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1c52 n GLY 53 N 0.48 -2.43 3.46 2.72 0.00 0.61 -3.76 105.19 106.27 1c52 n GLY 53 Ca 0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 1c52 n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c52 s LEU 54 N 0.00 -0.18 -0.02 0.99 2.96 -0.57 -4.53 118.68 117.34 1c52 s LEU 54 Ca 0.00 0.93 -0.17 0.00 -0.22 0.00 0.00 54.13 54.68 1c52 s LEU 54 Cb 0.00 2.02 0.03 0.00 0.50 0.00 0.00 46.19 48.74 1c52 s LEU 54 CO 0.00 -0.32 0.36 -1.10 -1.32 0.00 0.00 176.35 173.97 1c52 s GLN 55 N -0.23 0.73 0.00 1.98 -0.21 -1.23 -0.39 119.66 120.31 1c52 s GLN 55 Ca -0.04 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.19 1c52 s GLN 55 Cb -0.03 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.30 1c52 s GLN 55 CO 0.03 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.41 1c52 n GLY 56 N 1.20 2.82 3.71 3.09 0.00 -1.17 -4.63 105.19 110.21 1c52 n GLY 56 Ca -0.21 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 1c52 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1c52 s GLN 57 N -2.24 4.52 0.10 1.61 0.74 -1.26 -4.05 119.66 119.07 1c52 s GLN 57 Ca 0.00 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.00 1c52 s GLN 57 Cb 0.00 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 1c52 s GLN 57 CO 0.00 -0.11 -0.02 0.96 -0.55 0.00 0.00 175.29 175.57 1c52 s ILE 58 N 0.86 0.41 -0.03 -2.34 -4.36 0.04 -5.01 121.20 110.77 1c52 s ILE 58 Ca 0.54 -1.89 0.07 0.00 -0.26 0.00 0.00 60.65 59.11 1c52 s ILE 58 Cb -0.25 -1.75 -0.02 0.00 1.25 0.00 0.00 42.46 41.69 1c52 s ILE 58 CO 0.29 -0.79 -0.24 -0.70 0.24 0.00 0.00 174.94 173.74 1c52 s GLU 59 N -3.92 2.13 -0.05 0.37 2.12 -1.26 -0.87 118.70 117.23 1c52 s GLU 59 Ca 0.14 -0.86 -0.02 0.00 0.36 0.00 0.00 54.97 54.59 1c52 s GLU 59 Cb 0.07 -1.96 0.03 0.00 0.26 0.00 0.00 34.13 32.54 1c52 s GLU 59 CO -0.04 0.46 0.09 0.08 -0.54 0.00 0.00 175.26 175.31 1c52 s VAL 60 N -0.41 -0.11 -1.47 3.70 1.01 0.82 -4.83 120.40 119.11 1c52 s VAL 60 Ca 0.05 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 1c52 s VAL 60 Cb -0.11 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 36.15 1c52 s VAL 60 CO 0.01 0.12 0.70 0.29 0.00 0.00 0.00 175.10 176.22 1c52 n LYS 61 N 4.72 -4.24 -1.50 2.72 5.02 -1.26 -0.81 118.16 122.81 1c52 n LYS 61 Ca -0.16 0.50 -0.17 0.00 -2.02 0.00 0.00 58.31 56.46 1c52 n LYS 61 Cb 0.50 -5.04 -0.07 0.00 -0.02 0.00 0.00 35.03 30.40 1c52 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c52 n GLY 62 N -1.70 1.70 3.28 0.72 0.00 -1.26 -4.98 105.19 102.94 1c52 n GLY 62 Ca -0.14 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1c52 n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c52 s MET 63 N -3.45 1.63 0.06 1.61 -1.94 0.01 -5.12 119.30 112.10 1c52 s MET 63 Ca 0.00 -0.94 -0.13 0.00 -1.71 0.00 0.00 55.69 52.90 1c52 s MET 63 Cb 0.00 -1.71 -0.06 0.00 2.01 0.00 0.00 34.83 35.07 1c52 s MET 63 CO 0.00 0.45 0.44 0.15 -0.01 0.00 0.00 175.02 176.05 1c52 s LYS 64 N -0.99 3.89 -0.01 2.03 -0.14 -1.26 -0.13 119.74 123.13 1c52 s LYS 64 Ca 0.09 0.37 0.02 0.00 -1.36 0.00 0.00 55.97 55.09 1c52 s LYS 64 Cb -0.09 -3.09 -0.00 0.00 -1.68 0.00 0.00 37.83 32.96 1c52 s LYS 64 CO 0.01 0.61 -0.06 0.71 -0.76 0.00 0.00 175.35 175.86 1c52 s TYR 65 N -1.26 0.54 -0.40 3.18 1.51 -0.05 -4.40 117.35 116.48 1c52 s TYR 65 Ca 0.30 -0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.32 1c52 s TYR 65 Cb -0.16 -0.37 0.24 0.00 -0.11 0.00 0.00 41.96 41.56 1c52 s TYR 65 CO 0.16 -0.03 0.51 -1.71 -1.11 0.00 0.00 175.55 173.37 1c52 n ASN 66 N 3.08 -0.06 -0.12 2.29 5.15 -1.26 -0.78 115.26 123.56 1c52 n ASN 66 Ca -0.15 -2.66 0.00 0.00 -0.60 0.00 0.00 54.58 51.17 1c52 n ASN 66 Cb 0.57 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1c52 n ASN 66 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1c52 n GLY 67 N 1.65 6.90 2.94 8.20 0.00 -1.26 -4.90 105.19 118.73 1c52 n GLY 67 Ca 0.22 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.21 1c52 n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c52 s VAL 68 N 0.31 0.38 -0.07 1.61 -7.23 -1.26 -3.03 120.40 111.11 1c52 s VAL 68 Ca 0.00 -0.19 0.04 0.00 -1.81 0.00 0.00 61.98 60.02 1c52 s VAL 68 Cb 0.00 -0.33 0.00 0.00 0.56 0.00 0.00 36.38 36.61 1c52 s VAL 68 CO 0.00 0.11 -0.19 -0.32 -0.31 0.00 0.00 175.10 174.40 1c52 s MET 69 N -0.02 2.28 0.77 4.82 1.75 0.47 -4.99 119.30 124.38 1c52 s MET 69 Ca 0.01 -0.67 -0.11 0.00 -1.25 0.00 0.00 55.69 53.67 1c52 s MET 69 Cb -0.03 -1.83 0.05 0.00 2.84 0.00 0.00 34.83 35.87 1c52 s MET 69 CO -0.00 0.16 1.09 -1.54 -0.65 0.00 0.00 175.02 174.08 1c52 s SER 70 N 0.33 4.75 0.56 1.11 1.04 -1.26 -1.51 113.70 118.72 1c52 s SER 70 Ca -0.13 1.35 -0.15 0.00 0.48 0.00 0.00 55.95 57.50 1c52 s SER 70 Cb -0.15 -2.12 -0.06 0.00 0.10 0.00 0.00 66.02 63.79 1c52 s SER 70 CO 0.05 -1.81 1.01 -0.94 0.98 0.00 0.00 173.24 172.53 1c52 s SER 71 N -3.93 6.41 -0.22 7.02 1.04 -1.26 -4.22 113.70 118.54 1c52 s SER 71 Ca 0.60 1.55 0.12 0.00 0.48 0.00 0.00 55.95 58.70 1c52 s SER 71 Cb -0.14 -2.50 0.44 0.00 0.10 0.00 0.00 66.02 63.92 1c52 s SER 71 CO 0.54 -0.74 1.19 0.49 0.98 0.00 0.00 173.24 175.71 1c52 n PHE 72 N -2.00 1.12 0.27 5.02 3.01 0.19 -4.83 117.46 120.25 1c52 n PHE 72 Ca 0.07 -1.71 0.14 0.00 1.01 0.00 0.00 57.45 56.95 1c52 n PHE 72 Cb 0.54 -0.27 0.68 0.00 -0.01 0.00 0.00 39.48 40.42 1c52 n PHE 72 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1c52 h ALA 73 N 1.58 1.00 0.00 4.37 0.00 -1.69 -1.31 119.26 123.20 1c52 h ALA 73 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1c52 h ALA 73 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1c52 h ALA 73 CO 0.30 0.00 0.00 -0.56 0.00 0.00 0.00 179.25 178.99 1c52 h GLN 74 N 0.00 0.00 -7.19 0.00 -0.00 -1.91 -3.44 115.11 102.58 1c52 h GLN 74 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.15 1c52 h GLN 74 Cb 0.16 0.00 0.07 0.00 -0.00 0.00 0.00 27.48 27.71 1c52 h GLN 74 CO 0.00 0.00 0.38 -0.51 -0.00 0.00 0.00 178.83 178.70 1c52 s LEU 75 N -5.96 3.50 0.70 0.06 1.43 -0.50 -5.01 118.68 112.90 1c52 s LEU 75 Ca 0.01 1.88 -0.13 0.00 -1.03 0.00 0.00 54.13 54.86 1c52 s LEU 75 Cb 0.09 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.79 1c52 s LEU 75 CO 0.51 -1.25 1.08 -0.54 0.23 0.00 0.00 176.35 176.38 1c52 s LYS 76 N -4.00 2.70 0.24 1.70 1.02 -1.26 -4.82 119.74 115.32 1c52 s LYS 76 Ca 0.65 1.19 -0.04 0.00 0.02 0.00 0.00 55.97 57.79 1c52 s LYS 76 Cb -0.17 -1.95 0.42 0.00 -0.52 0.00 0.00 37.83 35.61 1c52 s LYS 76 CO 0.37 -1.30 1.77 -0.44 -0.92 0.00 0.00 175.35 174.82 1c52 h ASP 77 N -0.50 0.48 -0.45 2.83 3.32 -1.94 -0.57 116.42 119.60 1c52 h ASP 77 Ca -0.45 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1c52 h ASP 77 Cb 1.23 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1c52 h ASP 77 CO 0.54 0.24 0.18 -0.33 -1.72 0.00 0.00 179.24 178.15 1c52 h GLU 78 N 0.61 0.73 -0.35 3.56 5.08 -1.92 -1.09 114.58 121.20 1c52 h GLU 78 Ca 0.40 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.47 1c52 h GLU 78 Cb 0.49 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1c52 h GLU 78 CO -0.31 0.62 -0.46 0.93 -1.00 0.00 0.00 179.01 178.79 1c52 h GLU 79 N 0.72 0.92 -0.25 2.33 5.08 -1.52 -0.29 114.58 121.56 1c52 h GLU 79 Ca 0.17 -0.53 -0.06 0.00 -1.00 0.00 0.00 59.36 57.94 1c52 h GLU 79 Cb 0.18 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1c52 h GLU 79 CO -0.01 1.18 -0.08 0.82 -1.00 0.00 0.00 179.01 179.91 1c52 h ILE 80 N 0.73 1.29 -0.90 3.13 2.04 -0.92 -0.08 117.51 122.79 1c52 h ILE 80 Ca 0.04 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1c52 h ILE 80 Cb 1.06 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 1c52 h ILE 80 CO 0.11 0.35 0.57 0.00 0.00 0.00 0.00 178.15 179.18 1c52 h ALA 81 N 0.75 1.15 -0.24 1.87 0.00 -1.19 -1.18 119.26 120.42 1c52 h ALA 81 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1c52 h ALA 81 Cb 0.56 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1c52 h ALA 81 CO 0.03 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.93 1c52 h ALA 82 N 1.31 0.31 -0.11 0.00 0.00 -0.80 -0.42 119.26 119.56 1c52 h ALA 82 Ca 0.33 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1c52 h ALA 82 Cb -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1c52 h ALA 82 CO -0.07 -0.07 -0.44 -0.24 0.00 0.00 0.00 179.25 178.44 1c52 h VAL 83 N 0.23 1.32 -0.42 0.00 3.04 -0.81 -0.08 116.25 119.52 1c52 h VAL 83 Ca 0.08 -1.58 -0.13 0.00 -1.01 0.00 0.00 66.70 64.05 1c52 h VAL 83 Cb 0.22 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1c52 h VAL 83 CO -0.00 0.47 -0.25 -0.07 -1.01 0.00 0.00 177.57 176.71 1c52 h LEU 84 N 0.21 0.90 -1.11 3.16 3.38 -1.08 -0.85 115.31 119.94 1c52 h LEU 84 Ca 0.02 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 1c52 h LEU 84 Cb 0.86 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1c52 h LEU 84 CO 0.07 1.11 -0.21 0.78 0.09 0.00 0.00 178.44 180.27 1c52 h ASN 85 N 0.75 0.37 0.07 -0.43 -0.26 -0.76 -1.40 115.58 113.92 1c52 h ASN 85 Ca 0.09 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1c52 h ASN 85 Cb 0.80 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 1c52 h ASN 85 CO 0.07 0.59 -0.03 -0.74 -1.06 0.00 0.00 177.43 176.26 1c52 h HIS 86 N 0.34 -0.09 0.00 1.19 2.76 -0.46 -1.85 115.15 117.04 1c52 h HIS 86 Ca 0.06 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1c52 h HIS 86 Cb 0.57 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 1c52 h HIS 86 CO 0.01 0.08 -0.06 -0.84 -1.30 0.00 0.00 177.93 175.83 1c52 h ILE 87 N -0.25 0.19 0.00 6.26 3.07 -0.99 0.19 117.51 125.98 1c52 h ILE 87 Ca -0.01 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1c52 h ILE 87 Cb 0.21 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 1c52 h ILE 87 CO 0.02 0.06 -0.05 0.00 -1.05 0.00 0.00 178.15 177.12 1c52 h ALA 88 N 1.94 0.97 0.00 0.16 0.00 -0.96 -3.40 119.26 117.97 1c52 h ALA 88 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c52 h ALA 88 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1c52 h ALA 88 CO 0.01 0.00 -0.82 0.25 0.00 0.00 0.00 179.25 178.68 1c52 n THR 89 N -2.46 0.00 -0.22 0.00 -2.24 -0.72 0.47 114.28 109.11 1c52 n THR 89 Ca 0.05 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.03 1c52 n THR 89 Cb 0.46 -0.49 0.53 0.00 -2.10 0.00 0.00 70.33 68.73 1c52 n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c52 h ALA 90 N 0.00 2.26 -0.07 6.98 0.00 -0.87 -1.73 119.26 125.82 1c52 h ALA 90 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c52 h ALA 90 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1c52 h ALA 90 CO 0.00 -0.53 -0.01 0.91 0.00 0.00 0.00 179.25 179.62 1c52 n TRP 91 N -4.48 0.27 -0.98 0.00 8.01 -1.26 -4.99 117.44 114.00 1c52 n TRP 91 Ca 0.18 -0.99 0.00 0.00 -1.31 0.00 0.00 57.50 55.39 1c52 n TRP 91 Cb 0.70 -0.20 0.00 0.00 -2.01 0.00 0.00 31.31 29.80 1c52 n TRP 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1c52 n GLY 92 N -1.18 0.43 0.29 6.99 0.00 -0.65 -4.74 105.19 106.33 1c52 n GLY 92 Ca 0.18 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1c52 n GLY 92 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1c52 h ASP 93 N 0.00 0.85 -0.83 1.61 5.19 -1.76 -3.20 116.42 118.28 1c52 h ASP 93 Ca 0.00 -0.23 0.07 0.00 -0.62 0.00 0.00 57.03 56.25 1c52 h ASP 93 Cb 0.00 -0.23 -0.06 0.00 0.18 0.00 0.00 39.33 39.22 1c52 h ASP 93 CO 0.00 0.93 0.50 0.00 -3.12 0.00 0.00 179.24 177.56 1c52 h ALA 94 N 1.15 1.16 0.00 3.45 0.00 -0.30 0.79 119.26 125.51 1c52 h ALA 94 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1c52 h ALA 94 Cb 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1c52 h ALA 94 CO 0.03 0.20 -0.05 -0.22 0.00 0.00 0.00 179.25 179.20 1c52 h LYS 95 N 0.89 0.00 -0.04 0.00 3.64 -1.84 -1.26 116.57 117.96 1c52 h LYS 95 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1c52 h LYS 95 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1c52 h LYS 95 CO -0.20 0.05 0.00 1.63 -2.27 0.00 0.00 179.45 178.66 1c52 n LYS 96 N -3.89 1.54 -3.75 1.90 5.02 0.26 -4.76 118.16 114.48 1c52 n LYS 96 Ca -0.03 -0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 55.10 1c52 n LYS 96 Cb 0.14 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 1c52 n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1c52 s VAL 97 N -1.96 3.91 0.06 -0.18 1.01 -0.48 -5.00 120.40 117.77 1c52 s VAL 97 Ca 0.38 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1c52 s VAL 97 Cb 0.20 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1c52 s VAL 97 CO 0.32 -0.02 1.84 -0.75 0.00 0.00 0.00 175.10 176.49 1c52 s LYS 98 N 1.47 4.15 -0.75 2.72 2.20 -1.26 -1.82 119.74 126.45 1c52 s LYS 98 Ca 0.01 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 1c52 s LYS 98 Cb -0.18 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 1c52 s LYS 98 CO 0.03 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 1c52 n GLY 99 N 4.31 0.04 3.60 5.54 0.00 -1.26 -4.94 105.19 112.48 1c52 n GLY 99 Ca 0.18 -0.53 -0.52 0.00 0.00 0.00 0.00 46.02 45.15 1c52 n GLY 99 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1c52 n PHE 100 N -3.97 1.58 -4.36 1.61 7.35 -0.76 -4.97 117.46 113.94 1c52 n PHE 100 Ca -0.10 0.61 -0.33 0.00 -0.76 0.00 0.00 57.45 56.87 1c52 n PHE 100 Cb 0.57 -2.35 -0.16 0.00 0.35 0.00 0.00 39.48 37.89 1c52 n PHE 100 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1c52 s LYS 101 N 0.68 3.10 0.54 -4.13 -0.14 -1.26 -5.10 119.74 113.42 1c52 s LYS 101 Ca 0.85 -0.79 -0.22 0.00 -1.36 0.00 0.00 55.97 54.45 1c52 s LYS 101 Cb -0.95 -2.59 -0.05 0.00 -1.68 0.00 0.00 37.83 32.56 1c52 s LYS 101 CO 0.47 -0.09 1.35 -2.30 -0.76 0.00 0.00 175.35 174.02 1c52 n PRO 102 N 4.34 1.72 -2.17 -1.68 -0.02 -1.26 -4.95 135.00 130.98 1c52 n PRO 102 Ca -0.20 0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 1c52 n PRO 102 Cb 0.51 -2.56 -0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1c52 n PRO 102 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1c52 s PHE 103 N -1.28 2.80 0.23 6.00 0.40 -1.26 -5.04 117.98 119.82 1c52 s PHE 103 Ca 0.71 1.50 0.10 0.00 -0.60 0.00 0.00 56.93 58.64 1c52 s PHE 103 Cb -0.42 -3.48 -0.05 0.00 0.51 0.00 0.00 43.02 39.58 1c52 s PHE 103 CO 0.50 -1.76 -0.18 0.95 0.70 0.00 0.00 175.22 175.43 1c52 s THR 104 N -1.46 2.09 0.29 0.64 -4.23 -1.26 -4.83 115.64 106.87 1c52 s THR 104 Ca 0.63 -2.22 -0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1c52 s THR 104 Cb -0.32 -2.11 0.21 0.00 1.34 0.00 0.00 72.50 71.62 1c52 s THR 104 CO 0.39 -0.43 1.90 0.00 -0.54 0.00 0.00 174.62 175.94 1c52 h ALA 105 N 2.62 1.31 -0.39 3.99 0.00 -1.91 -2.61 119.26 122.27 1c52 h ALA 105 Ca -0.40 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1c52 h ALA 105 Cb 1.23 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1c52 h ALA 105 CO 0.58 0.55 0.01 0.93 0.00 0.00 0.00 179.25 181.32 1c52 h GLU 106 N 0.99 0.62 -0.64 0.00 5.08 -1.96 -0.02 114.58 118.67 1c52 h GLU 106 Ca 0.25 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1c52 h GLU 106 Cb 0.06 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1c52 h GLU 106 CO -0.04 0.64 0.21 0.93 -1.00 0.00 0.00 179.01 179.75 1c52 h GLU 107 N 0.59 0.98 -0.12 2.33 5.08 -1.89 -1.39 114.58 120.17 1c52 h GLU 107 Ca 0.12 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1c52 h GLU 107 Cb 0.36 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1c52 h GLU 107 CO 0.01 0.86 0.01 0.28 -1.00 0.00 0.00 179.01 179.17 1c52 h VAL 108 N 0.91 1.24 -0.64 3.13 2.07 -1.22 -2.95 116.25 118.80 1c52 h VAL 108 Ca 0.21 -0.78 0.11 0.00 0.82 0.00 0.00 66.70 67.06 1c52 h VAL 108 Cb 0.28 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 1c52 h VAL 108 CO -0.01 0.23 0.21 0.50 0.02 0.00 0.00 177.57 178.52 1c52 h LYS 109 N -0.05 0.36 -0.91 1.57 3.64 -0.81 -1.71 116.57 118.67 1c52 h LYS 109 Ca 0.04 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1c52 h LYS 109 Cb 0.34 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1c52 h LYS 109 CO 0.01 0.24 0.60 -0.22 -2.27 0.00 0.00 179.45 177.80 1c52 h LYS 110 N 0.37 1.15 0.00 1.90 1.63 -1.18 -2.36 116.57 118.08 1c52 h LYS 110 Ca 0.33 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1c52 h LYS 110 Cb 0.45 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1c52 h LYS 110 CO -0.35 0.76 0.00 1.28 -3.45 0.00 0.00 179.45 177.68 1c52 n LEU 111 N -4.42 0.00 0.24 5.20 4.77 -0.66 -3.15 117.00 118.98 1c52 n LEU 111 Ca 0.11 0.25 0.16 0.00 -0.03 0.00 0.00 56.01 56.50 1c52 n LEU 111 Cb 0.07 -0.25 0.68 0.00 -2.33 0.00 0.00 43.42 41.59 1c52 n LEU 111 CO 0.36 -0.01 0.97 0.03 -1.33 0.00 0.00 177.39 177.40 1c52 h ARG 112 N 0.00 0.00 0.00 3.23 3.08 -1.21 -2.51 114.38 116.96 1c52 h ARG 112 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1c52 h ARG 112 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1c52 h ARG 112 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1c52 h ALA 113 N 2.07 1.00 -0.60 0.04 0.00 -1.73 -3.32 119.26 116.72 1c52 h ALA 113 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1c52 h ALA 113 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1c52 h ALA 113 CO 0.00 0.00 0.35 0.87 0.00 0.00 0.00 179.25 180.47 1c52 h LYS 114 N 0.00 0.67 -6.21 0.00 1.79 -1.69 -3.47 116.57 107.66 1c52 h LYS 114 Ca 0.00 -0.04 -0.43 0.00 -2.18 0.00 0.00 60.65 58.00 1c52 h LYS 114 Cb 0.65 -0.15 0.07 0.00 -1.58 0.00 0.00 32.23 31.22 1c52 h LYS 114 CO 0.00 0.44 -0.92 1.63 -1.08 0.00 0.00 179.45 179.53 1c52 n LYS 115 N -4.77 -2.02 -3.44 3.15 5.02 -1.25 -4.98 118.16 109.88 1c52 n LYS 115 Ca 0.06 0.49 -0.23 0.00 -2.02 0.00 0.00 58.31 56.61 1c52 n LYS 115 Cb 0.11 -4.40 -0.01 0.00 -0.02 0.00 0.00 35.03 30.71 1c52 n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1c52 s LEU 116 N -6.51 4.02 0.40 -0.35 1.43 -1.26 -5.11 118.68 111.30 1c52 s LEU 116 Ca 0.35 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 1c52 s LEU 116 Cb -0.12 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 1c52 s LEU 116 CO 0.85 -0.30 0.59 0.42 0.23 0.00 0.00 176.35 178.14 1c52 s THR 117 N -2.28 4.20 0.53 5.49 -4.23 -1.26 -4.81 115.64 113.28 1c52 s THR 117 Ca 0.40 -0.64 0.19 0.00 -1.18 0.00 0.00 61.69 60.45 1c52 s THR 117 Cb -0.10 -3.52 0.29 0.00 1.34 0.00 0.00 72.50 70.52 1c52 s THR 117 CO 0.35 -0.31 2.14 -0.65 -0.54 0.00 0.00 174.62 175.60 1c52 h PRO 118 N 0.60 0.00 -0.27 3.99 0.11 -1.80 -0.95 132.00 133.68 1c52 h PRO 118 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1c52 h PRO 118 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1c52 h PRO 118 CO 0.57 0.00 -0.49 1.96 -0.21 0.00 0.00 178.00 179.83 1c52 h GLN 119 N 0.00 0.73 -0.26 1.05 7.50 -1.90 -1.72 115.11 120.51 1c52 h GLN 119 Ca 0.03 -0.43 -0.08 0.00 0.50 0.00 0.00 58.65 58.67 1c52 h GLN 119 Cb 0.14 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 1c52 h GLN 119 CO -0.00 1.05 -0.18 1.96 -1.50 0.00 0.00 178.83 180.16 1c52 h GLN 120 N 0.58 0.46 -0.53 1.46 4.20 -1.58 -1.04 115.11 118.66 1c52 h GLN 120 Ca 0.03 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1c52 h GLN 120 Cb 1.05 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1c52 h GLN 120 CO 0.10 0.63 0.07 0.28 -0.67 0.00 0.00 178.83 179.24 1c52 h VAL 121 N 0.42 1.25 -0.80 -0.54 2.07 -1.15 -1.00 116.25 116.50 1c52 h VAL 121 Ca 0.07 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1c52 h VAL 121 Cb 0.56 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1c52 h VAL 121 CO 0.04 0.35 0.53 0.25 0.02 0.00 0.00 177.57 178.76 1c52 h LEU 122 N 0.76 0.92 -1.23 2.57 5.85 -0.90 -0.70 115.31 122.59 1c52 h LEU 122 Ca 0.16 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1c52 h LEU 122 Cb 0.43 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1c52 h LEU 122 CO 0.01 0.66 0.54 0.00 -0.34 0.00 0.00 178.44 179.32 1c52 h ALA 123 N 1.30 1.52 -0.60 1.25 0.00 -0.69 -0.81 119.26 121.23 1c52 h ALA 123 Ca 0.30 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1c52 h ALA 123 Cb -0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1c52 h ALA 123 CO -0.07 0.39 0.05 0.93 0.00 0.00 0.00 179.25 180.55 1c52 h GLU 124 N 0.99 1.00 -0.50 0.00 4.39 -0.21 -2.97 114.58 117.28 1c52 h GLU 124 Ca 0.33 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1c52 h GLU 124 Cb 0.08 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1c52 h GLU 124 CO -0.10 0.95 0.26 -0.09 -1.16 0.00 0.00 179.01 178.88 1c52 h ARG 125 N 0.93 0.71 0.00 2.33 2.43 0.16 -2.45 114.38 118.49 1c52 h ARG 125 Ca 0.18 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1c52 h ARG 125 Cb 0.47 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1c52 h ARG 125 CO 0.02 0.57 -0.00 0.87 -1.51 0.00 0.00 179.97 179.92 1c52 h LYS 126 N 0.67 0.00 0.00 0.20 1.57 -1.06 -1.17 116.57 116.77 1c52 h LYS 126 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1c52 h LYS 126 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1c52 h LYS 126 CO -0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.48 1c52 n LYS 127 N -4.11 0.15 0.16 3.15 5.02 -0.93 -3.36 118.16 118.25 1c52 n LYS 127 Ca -0.03 0.21 0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1c52 n LYS 127 Cb 0.08 -1.70 0.20 0.00 -0.02 0.00 0.00 35.03 33.59 1c52 n LYS 127 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1c52 h LEU 128 N 0.00 0.00 -1.81 -0.35 3.38 -1.23 -3.48 115.31 111.82 1c52 h LEU 128 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1c52 h LEU 128 Cb 0.54 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.36 1c52 h LEU 128 CO 0.00 0.48 -0.32 0.61 0.09 0.00 0.00 178.44 179.30 1c52 n GLY 129 N 0.62 0.11 0.00 0.83 0.00 -1.21 -4.84 105.19 100.70 1c52 n GLY 129 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1c52 n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c52 n LEU 130 N -2.32 2.39 0.00 0.99 4.77 -1.26 -5.11 117.00 116.45 1c52 n LEU 130 Ca -0.12 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1c52 n LEU 130 Cb 0.57 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1c52 n LEU 130 CO 0.26 -0.01 0.00 0.29 -1.33 0.00 0.00 177.39 176.60