#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h67 n PRO 28 N 0.00 1.31 0.06 2.12 -0.04 -1.26 -4.45 135.00 132.74 1h67 n PRO 28 Ca 0.00 -0.47 0.07 0.00 -0.04 0.00 0.00 63.50 63.06 1h67 n PRO 28 Cb 0.00 -1.55 0.50 0.00 -0.04 0.00 0.00 33.50 32.41 1h67 n PRO 28 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1h67 h GLN 29 N 2.60 0.36 -5.26 0.54 -0.00 -2.03 -3.42 115.11 107.89 1h67 h GLN 29 Ca 0.09 -0.02 -0.54 0.00 -0.00 0.00 0.00 58.65 58.18 1h67 h GLN 29 Cb 1.08 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.48 28.42 1h67 h GLN 29 CO 0.15 0.24 1.67 2.41 -0.00 0.00 0.00 178.83 183.30 1h67 n THR 30 N -4.49 -0.00 0.20 1.86 -1.04 -1.26 -4.75 114.28 104.80 1h67 n THR 30 Ca 0.02 -0.11 0.05 0.00 -2.04 0.00 0.00 64.05 61.97 1h67 n THR 30 Cb 0.12 -0.85 0.42 0.00 -1.82 0.00 0.00 70.33 68.21 1h67 n THR 30 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1h67 h GLU 31 N 12.58 0.00 -0.78 -2.82 4.11 -2.01 -2.95 114.58 122.70 1h67 h GLU 31 Ca -0.09 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.46 1h67 h GLU 31 Cb 1.32 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.49 1h67 h GLU 31 CO 1.30 0.33 0.39 -0.09 0.07 0.00 0.00 179.01 181.01 1h67 h ARG 32 N 0.00 0.59 -0.66 1.06 9.65 -1.97 -0.37 114.38 122.69 1h67 h ARG 32 Ca -0.00 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1h67 h ARG 32 Cb 0.65 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 1h67 h ARG 32 CO 0.04 0.39 0.36 1.96 2.80 0.00 0.00 179.97 185.52 1h67 h GLN 33 N 0.61 0.91 -0.51 0.20 4.20 -1.90 -2.65 115.11 115.97 1h67 h GLN 33 Ca 0.41 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 59.08 1h67 h GLN 33 Cb 0.51 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1h67 h GLN 33 CO -0.32 0.67 0.20 -0.07 -0.67 0.00 0.00 178.83 178.64 1h67 h LEU 34 N 0.91 0.24 0.29 1.46 3.38 -1.16 0.60 115.31 121.03 1h67 h LEU 34 Ca 0.23 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1h67 h LEU 34 Cb 0.03 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1h67 h LEU 34 CO -0.04 0.16 -0.14 0.03 0.09 0.00 0.00 178.44 178.55 1h67 h ARG 35 N 0.40 -0.38 -0.86 1.13 3.08 -1.32 -2.54 114.38 113.88 1h67 h ARG 35 Ca 0.24 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.39 1h67 h ARG 35 Cb 0.23 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 1h67 h ARG 35 CO -0.22 -0.11 0.56 0.28 -1.07 0.00 0.00 179.97 179.40 1h67 h VAL 36 N -0.61 1.03 0.39 2.04 2.07 -1.31 0.26 116.25 120.12 1h67 h VAL 36 Ca -0.04 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1h67 h VAL 36 Cb 0.44 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1h67 h VAL 36 CO 0.07 0.17 -0.19 -0.25 0.02 0.00 0.00 177.57 177.39 1h67 h TRP 37 N 0.93 -0.49 0.02 1.57 7.01 -0.79 0.56 115.95 124.76 1h67 h TRP 37 Ca 0.38 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.36 1h67 h TRP 37 Cb 0.26 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1h67 h TRP 37 CO -0.00 -0.30 -0.01 0.82 -2.79 0.00 0.00 178.44 176.16 1h67 h ILE 38 N -0.56 1.13 -0.60 2.65 2.04 -1.41 -0.48 117.51 120.29 1h67 h ILE 38 Ca -0.05 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.38 1h67 h ILE 38 Cb 0.40 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1h67 h ILE 38 CO 0.09 0.12 0.36 -0.33 0.00 0.00 0.00 178.15 178.38 1h67 h GLU 39 N -0.22 0.68 -0.40 2.37 5.08 -1.06 -2.37 114.58 118.67 1h67 h GLU 39 Ca -0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1h67 h GLU 39 Cb 0.21 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1h67 h GLU 39 CO 0.00 0.45 -0.12 0.78 -1.00 0.00 0.00 179.01 179.12 1h67 h GLY 40 N 0.70 0.76 0.34 -3.84 0.00 -0.81 -0.41 103.07 99.82 1h67 h GLY 40 Ca 0.25 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1h67 h GLY 40 CO -0.11 0.52 -0.37 0.00 0.00 0.00 0.00 176.54 176.58 1h67 h ALA 41 N 1.23 -1.03 0.00 3.60 0.00 -0.54 -3.39 119.26 119.12 1h67 h ALA 41 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h67 h ALA 41 Cb 0.58 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1h67 h ALA 41 CO 0.04 -1.06 -0.07 0.25 0.00 0.00 0.00 179.25 178.40 1h67 n THR 42 N -4.64 0.19 0.00 0.00 -2.24 -1.13 -5.04 114.28 101.42 1h67 n THR 42 Ca -0.09 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 1h67 n THR 42 Cb 0.33 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 1h67 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h67 n GLY 43 N 1.71 0.27 3.64 3.38 0.00 -0.16 -5.09 105.19 108.94 1h67 n GLY 43 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 1h67 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h67 n ARG 44 N 0.00 1.80 -3.61 1.61 5.12 -1.25 -4.88 116.66 115.45 1h67 n ARG 44 Ca 0.00 0.65 -0.38 0.00 -1.93 0.00 0.00 57.85 56.18 1h67 n ARG 44 Cb 0.00 -2.30 -0.11 0.00 -1.16 0.00 0.00 32.46 28.88 1h67 n ARG 44 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1h67 s ARG 45 N 0.07 3.79 0.00 5.56 1.81 -1.26 -4.14 118.95 124.78 1h67 s ARG 45 Ca 0.74 -0.42 -0.05 0.00 -1.72 0.00 0.00 55.73 54.28 1h67 s ARG 45 Cb -0.73 -3.62 -0.22 0.00 -0.45 0.00 0.00 34.95 29.94 1h67 s ARG 45 CO 0.46 -0.24 3.30 -0.89 -0.68 0.00 0.00 175.30 177.26 1h67 n ILE 46 N 5.04 2.79 -0.14 1.52 5.41 -1.26 -4.54 119.36 128.18 1h67 n ILE 46 Ca -0.14 -1.30 -0.08 0.00 1.00 0.00 0.00 62.75 62.23 1h67 n ILE 46 Cb 0.51 -1.90 0.01 0.00 -0.71 0.00 0.00 39.64 37.55 1h67 n ILE 46 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1h67 h GLY 47 N 4.61 0.61 0.00 7.39 0.00 -2.01 -3.44 103.07 110.24 1h67 h GLY 47 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1h67 h GLY 47 CO 0.19 0.22 0.00 1.22 0.00 0.00 0.00 176.54 178.17 1h67 n ASP 48 N -4.79 0.00 -4.76 0.19 8.00 -1.26 -4.90 116.55 109.03 1h67 n ASP 48 Ca 0.01 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 1h67 n ASP 48 Cb 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 1h67 n ASP 48 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1h67 s ASN 49 N -1.69 6.68 0.39 -2.24 3.04 -1.26 -4.89 114.94 114.96 1h67 s ASN 49 Ca 0.00 2.72 0.07 0.00 0.04 0.00 0.00 52.86 55.69 1h67 s ASN 49 Cb 0.00 -2.64 0.81 0.00 -1.54 0.00 0.00 41.25 37.88 1h67 s ASN 49 CO 0.00 -0.63 2.00 0.15 -3.04 0.00 0.00 177.10 175.58 1h67 h PHE 50 N 3.92 0.63 0.00 0.43 3.57 -1.90 -0.53 116.94 123.05 1h67 h PHE 50 Ca -0.48 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 60.79 1h67 h PHE 50 Cb 1.22 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1h67 h PHE 50 CO 0.57 0.36 -1.60 -1.33 -2.23 0.00 0.00 178.31 174.08 1h67 n MET 51 N -4.47 0.55 -0.21 1.11 2.81 -1.26 -3.95 117.12 111.69 1h67 n MET 51 Ca 0.07 0.37 0.18 0.00 -1.81 0.00 0.00 57.70 56.51 1h67 n MET 51 Cb 0.17 -1.58 0.51 0.00 -0.71 0.00 0.00 33.22 31.61 1h67 n MET 51 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1h67 h ASP 52 N -1.00 0.40 -0.09 7.83 3.58 -1.90 -1.75 116.42 123.49 1h67 h ASP 52 Ca -0.37 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.08 1h67 h ASP 52 Cb 1.25 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1h67 h ASP 52 CO -0.22 0.18 -0.10 1.23 -2.88 0.00 0.00 179.24 177.45 1h67 h GLY 53 N 0.41 0.25 2.00 -0.78 0.00 -1.30 -3.06 103.07 100.59 1h67 h GLY 53 Ca 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1h67 h GLY 53 CO -0.15 0.24 0.00 1.04 0.00 0.00 0.00 176.54 177.66 1h67 n LEU 54 N -4.65 0.48 -0.33 3.11 7.99 -0.70 -3.10 117.00 119.80 1h67 n LEU 54 Ca -0.07 0.68 0.13 0.00 -0.01 0.00 0.00 56.01 56.75 1h67 n LEU 54 Cb 0.33 -0.70 0.32 0.00 -0.11 0.00 0.00 43.42 43.26 1h67 n LEU 54 CO 0.37 -0.74 1.13 0.11 -1.51 0.00 0.00 177.39 176.76 1h67 h LYS 55 N 0.00 0.58 -0.93 3.23 1.57 -1.33 0.97 116.57 120.65 1h67 h LYS 55 Ca 0.00 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.90 1h67 h LYS 55 Cb 0.12 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.22 1h67 h LYS 55 CO 0.00 0.38 0.59 0.38 -0.57 0.00 0.00 179.45 180.24 1h67 h ASP 56 N 0.60 0.70 0.00 0.86 2.03 -1.77 -3.45 116.42 115.38 1h67 h ASP 56 Ca 0.57 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.92 1h67 h ASP 56 Cb 0.99 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1h67 h ASP 56 CO -0.44 0.34 0.00 0.61 -1.03 0.00 0.00 179.24 178.72 1h67 n GLY 57 N -1.41 1.00 0.25 7.15 0.00 0.33 -4.32 105.19 108.20 1h67 n GLY 57 Ca 0.19 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.37 1h67 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h67 n VAL 58 N 0.00 -0.32 0.14 1.61 0.31 -1.26 0.77 118.33 119.59 1h67 n VAL 58 Ca 0.00 1.61 -0.14 0.00 -0.01 0.00 0.00 64.34 65.80 1h67 n VAL 58 Cb 0.00 -2.46 -0.08 0.00 -0.91 0.00 0.00 33.84 30.39 1h67 n VAL 58 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1h67 h ILE 59 N 0.00 0.80 -0.44 2.52 2.04 -1.91 0.22 117.51 120.75 1h67 h ILE 59 Ca 0.53 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 66.11 1h67 h ILE 59 Cb 1.26 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1h67 h ILE 59 CO -0.66 0.06 0.18 -0.07 0.00 0.00 0.00 178.15 177.66 1h67 h LEU 60 N -0.46 0.60 -0.52 1.44 3.38 0.01 -0.00 115.31 119.75 1h67 h LEU 60 Ca -0.03 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1h67 h LEU 60 Cb 0.35 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1h67 h LEU 60 CO 0.05 0.59 0.21 0.00 0.09 0.00 0.00 178.44 179.39 1h67 h GLU 62 N 0.41 0.36 0.14 0.00 4.39 -0.12 -2.40 114.58 117.36 1h67 h GLU 62 Ca 0.25 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1h67 h GLU 62 Cb 0.23 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1h67 h GLU 62 CO -0.22 0.36 -0.07 1.25 -1.16 0.00 0.00 179.01 179.17 1h67 h LEU 63 N 0.35 -0.16 -1.05 1.33 5.85 0.99 -3.26 115.31 119.36 1h67 h LEU 63 Ca 0.08 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1h67 h LEU 63 Cb 0.19 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1h67 h LEU 63 CO 0.00 0.33 0.64 -0.29 -0.34 0.00 0.00 178.44 178.78 1h67 h ILE 64 N -0.70 1.21 -0.46 4.05 6.09 -0.97 -0.82 117.51 125.91 1h67 h ILE 64 Ca -0.02 -0.43 0.13 0.00 -1.37 0.00 0.00 64.86 63.17 1h67 h ILE 64 Cb 0.51 -0.17 -0.02 0.00 0.47 0.00 0.00 36.82 37.62 1h67 h ILE 64 CO 0.03 0.23 0.41 0.78 -3.07 0.00 0.00 178.15 176.53 1h67 h ASN 65 N 1.27 0.00 0.01 2.19 4.21 -1.49 0.66 115.58 122.43 1h67 h ASN 65 Ca 0.37 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.88 1h67 h ASN 65 Cb -0.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1h67 h ASN 65 CO -0.10 0.00 -0.01 0.11 -1.29 0.00 0.00 177.43 176.14 1h67 h LYS 66 N 0.00 -0.02 0.59 0.81 1.79 -1.20 -3.38 116.57 115.17 1h67 h LYS 66 Ca 0.22 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1h67 h LYS 66 Cb 1.03 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1h67 h LYS 66 CO -0.00 0.69 -0.28 -0.07 -1.08 0.00 0.00 179.45 178.70 1h67 h LEU 67 N -0.97 -0.67 -8.63 2.94 3.38 -0.99 -3.41 115.31 106.96 1h67 h LEU 67 Ca -0.00 0.02 -0.69 0.00 0.09 0.00 0.00 57.88 57.30 1h67 h LEU 67 Cb 0.71 0.17 -0.19 0.00 0.09 0.00 0.00 40.66 41.45 1h67 h LEU 67 CO 0.00 -0.30 -0.40 -1.58 0.09 0.00 0.00 178.44 176.25 1h67 s GLN 68 N -4.16 3.29 0.10 1.13 0.74 0.22 -5.04 119.66 115.94 1h67 s GLN 68 Ca -0.12 -0.74 -0.35 0.00 0.05 0.00 0.00 55.36 54.20 1h67 s GLN 68 Cb 0.01 -3.88 -0.15 0.00 1.10 0.00 0.00 33.01 30.09 1h67 s GLN 68 CO 0.35 -0.60 1.51 -2.30 -0.55 0.00 0.00 175.29 173.69 1h67 n PRO 69 N 5.23 1.74 -3.89 1.67 -0.02 -1.26 -2.83 135.00 135.64 1h67 n PRO 69 Ca -0.11 0.63 -0.25 0.00 -2.02 0.00 0.00 63.50 61.75 1h67 n PRO 69 Cb 0.48 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1h67 n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h67 n GLY 70 N 3.16 -0.28 0.13 -1.23 0.00 -1.26 -4.93 105.19 100.78 1h67 n GLY 70 Ca 0.18 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.32 1h67 n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1h67 h SER 71 N -1.85 -0.21 -3.53 1.61 0.02 -1.81 -3.45 113.55 104.33 1h67 h SER 71 Ca -0.63 0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 59.80 1h67 h SER 71 Cb 1.37 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.94 1h67 h SER 71 CO 0.60 0.17 0.21 -0.69 -1.14 0.00 0.00 176.83 175.99 1h67 s VAL 72 N -2.33 4.43 0.21 2.27 1.01 -1.26 -4.88 120.40 119.85 1h67 s VAL 72 Ca -0.04 1.77 -0.10 0.00 0.00 0.00 0.00 61.98 63.61 1h67 s VAL 72 Cb 0.00 -4.17 0.14 0.00 0.00 0.00 0.00 36.38 32.35 1h67 s VAL 72 CO 0.11 0.46 1.73 1.56 0.00 0.00 0.00 175.10 178.96 1h67 h GLN 73 N 4.76 0.35 -0.47 2.72 4.20 -1.94 -3.44 115.11 121.29 1h67 h GLN 73 Ca -0.46 -0.02 0.23 0.00 0.06 0.00 0.00 58.65 58.46 1h67 h GLN 73 Cb 1.21 -0.08 -0.27 0.00 0.30 0.00 0.00 27.48 28.63 1h67 h GLN 73 CO 0.68 0.23 0.47 0.21 -0.67 0.00 0.00 178.83 179.76 1h67 s LYS 74 N -6.10 0.11 0.05 1.46 2.36 -1.26 -5.14 119.74 111.22 1h67 s LYS 74 Ca -0.13 0.27 -0.31 0.00 -2.55 0.00 0.00 55.97 53.25 1h67 s LYS 74 Cb 0.17 0.15 -0.07 0.00 -1.05 0.00 0.00 37.83 37.03 1h67 s LYS 74 CO 0.74 -0.04 1.44 0.54 1.55 0.00 0.00 175.35 179.58 1h67 s VAL 75 N 2.04 3.46 0.01 4.02 0.11 -1.26 -4.87 120.40 123.91 1h67 s VAL 75 Ca -0.01 0.94 0.04 0.00 -2.93 0.00 0.00 61.98 60.02 1h67 s VAL 75 Cb -0.02 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.19 1h67 s VAL 75 CO -0.16 0.02 -0.11 0.20 -3.33 0.00 0.00 175.10 171.73 1h67 s ASN 76 N 1.71 4.33 0.39 3.54 0.01 -1.26 -5.10 114.94 118.57 1h67 s ASN 76 Ca 0.66 -0.23 -0.26 0.00 -0.71 0.00 0.00 52.86 52.31 1h67 s ASN 76 Cb -0.35 -0.92 -0.11 0.00 0.41 0.00 0.00 41.25 40.29 1h67 s ASN 76 CO 0.29 0.28 1.27 0.47 -1.51 0.00 0.00 177.10 177.90 1h67 n ASP 77 N 1.61 2.62 -1.51 -1.22 8.00 -1.26 -4.76 116.55 120.03 1h67 n ASP 77 Ca -0.16 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.49 1h67 n ASP 77 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1h67 n ASP 77 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1h67 n PRO 78 N 0.25 0.67 -0.05 -0.24 -0.04 -1.26 -4.13 135.00 130.19 1h67 n PRO 78 Ca 0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 1h67 n PRO 78 Cb 0.38 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 1h67 n PRO 78 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1h67 h VAL 79 N 1.10 0.23 -3.73 0.52 2.07 -1.97 -3.47 116.25 110.99 1h67 h VAL 79 Ca 0.00 -1.18 -0.49 0.00 0.82 0.00 0.00 66.70 65.85 1h67 h VAL 79 Cb 0.67 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1h67 h VAL 79 CO 0.00 0.08 0.19 -1.10 0.02 0.00 0.00 177.57 176.75 1h67 s GLN 80 N -1.69 4.27 0.23 1.57 -1.52 -1.26 -4.98 119.66 116.28 1h67 s GLN 80 Ca -0.04 0.96 -0.07 0.00 -1.95 0.00 0.00 55.36 54.26 1h67 s GLN 80 Cb -0.00 -2.68 0.29 0.00 -0.22 0.00 0.00 33.01 30.40 1h67 s GLN 80 CO 0.11 0.27 1.85 -2.95 -0.25 0.00 0.00 175.29 174.31 1h67 h ASN 81 N 2.93 0.79 0.60 5.90 7.08 -1.95 -1.25 115.58 129.69 1h67 h ASN 81 Ca -0.48 0.01 -0.05 0.00 -3.08 0.00 0.00 56.30 52.71 1h67 h ASN 81 Cb 1.19 -0.15 -0.01 0.00 -2.08 0.00 0.00 38.32 37.27 1h67 h ASN 81 CO 0.65 0.52 -0.24 4.11 -2.08 0.00 0.00 177.43 180.39 1h67 h TRP 82 N 0.93 0.00 0.02 4.14 5.08 -1.98 -3.03 115.95 121.10 1h67 h TRP 82 Ca 0.35 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.33 1h67 h TRP 82 Cb 0.13 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 1h67 h TRP 82 CO -0.04 0.24 -0.11 0.45 -1.28 0.00 0.00 178.44 177.71 1h67 h HIS 83 N 0.00 -0.27 -0.53 0.12 3.86 -1.52 -0.57 115.15 116.24 1h67 h HIS 83 Ca -0.00 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1h67 h HIS 83 Cb 0.60 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.16 1h67 h HIS 83 CO 0.00 -0.16 0.31 0.87 0.86 0.00 0.00 177.93 179.81 1h67 h LYS 84 N -0.19 0.73 -0.68 2.45 1.57 -1.52 -2.00 116.57 116.93 1h67 h LYS 84 Ca 0.03 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1h67 h LYS 84 Cb 0.23 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1h67 h LYS 84 CO -0.10 0.54 0.45 -0.07 -0.57 0.00 0.00 179.45 179.70 1h67 h LEU 85 N 0.71 0.51 -0.06 2.94 3.38 -1.35 0.39 115.31 121.84 1h67 h LEU 85 Ca 0.19 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1h67 h LEU 85 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1h67 h LEU 85 CO -0.03 0.31 -0.14 -0.08 0.09 0.00 0.00 178.44 178.59 1h67 h GLU 86 N 0.57 0.19 -0.90 1.13 4.81 -0.50 -1.03 114.58 118.85 1h67 h GLU 86 Ca 0.31 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1h67 h GLU 86 Cb 0.45 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1h67 h GLU 86 CO -0.10 0.74 0.53 -0.91 -0.73 0.00 0.00 179.01 178.54 1h67 h ASN 87 N -0.32 1.09 -0.30 1.04 2.35 -0.82 -1.89 115.58 116.73 1h67 h ASN 87 Ca -0.00 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 1h67 h ASN 87 Cb 0.75 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1h67 h ASN 87 CO 0.03 0.85 -0.27 0.40 -1.65 0.00 0.00 177.43 176.79 1h67 h ILE 88 N 1.25 1.30 -0.26 2.81 2.04 -0.96 -2.12 117.51 121.56 1h67 h ILE 88 Ca 0.32 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1h67 h ILE 88 Cb -0.04 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1h67 h ILE 88 CO -0.06 0.46 0.14 1.23 0.00 0.00 0.00 178.15 179.93 1h67 h GLY 89 N 0.47 0.35 1.01 5.37 0.00 -0.87 -1.24 103.07 108.16 1h67 h GLY 89 Ca 0.05 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 1h67 h GLY 89 CO 0.07 0.10 -0.09 3.43 0.00 0.00 0.00 176.54 180.05 1h67 h ASN 90 N 0.30 0.85 0.24 0.19 2.35 -1.39 -0.59 115.58 117.54 1h67 h ASN 90 Ca 0.10 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1h67 h ASN 90 Cb 0.01 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1h67 h ASN 90 CO -0.05 1.01 -0.17 0.15 -1.65 0.00 0.00 177.43 176.71 1h67 h PHE 91 N 0.69 -0.46 -0.38 1.19 3.57 -1.19 0.19 116.94 120.55 1h67 h PHE 91 Ca 0.12 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1h67 h PHE 91 Cb 0.62 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1h67 h PHE 91 CO 0.05 -0.27 0.06 -0.07 -2.23 0.00 0.00 178.31 175.84 1h67 h LEU 92 N -0.42 0.62 -1.08 0.59 3.38 -1.25 -0.48 115.31 116.67 1h67 h LEU 92 Ca -0.02 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1h67 h LEU 92 Cb 0.36 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1h67 h LEU 92 CO -0.00 0.73 0.62 -0.09 0.09 0.00 0.00 178.44 179.79 1h67 h ARG 93 N 0.48 1.17 -0.16 1.13 2.43 -0.97 0.25 114.38 118.72 1h67 h ARG 93 Ca 0.12 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1h67 h ARG 93 Cb 0.38 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1h67 h ARG 93 CO 0.01 0.78 -0.22 0.00 -1.51 0.00 0.00 179.97 179.02 1h67 h ALA 94 N 1.44 0.25 -0.27 2.80 0.00 -0.37 -3.01 119.26 120.10 1h67 h ALA 94 Ca 0.37 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1h67 h ALA 94 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1h67 h ALA 94 CO -0.10 0.20 -0.48 -0.84 0.00 0.00 0.00 179.25 178.03 1h67 h ILE 95 N 0.08 1.29 -0.87 0.00 3.07 -0.75 0.42 117.51 120.75 1h67 h ILE 95 Ca 0.02 -1.68 0.04 0.00 1.55 0.00 0.00 64.86 64.79 1h67 h ILE 95 Cb 0.79 1.59 -0.05 0.00 -0.27 0.00 0.00 36.82 38.88 1h67 h ILE 95 CO 0.05 0.54 0.56 0.11 -1.05 0.00 0.00 178.15 178.36 1h67 h LYS 96 N 0.58 1.04 0.08 0.16 1.57 -0.57 -2.26 116.57 117.16 1h67 h LYS 96 Ca 0.03 -0.06 -0.30 0.00 -1.87 0.00 0.00 60.65 58.45 1h67 h LYS 96 Cb 1.04 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1h67 h LYS 96 CO 0.10 0.68 -1.56 1.25 -0.57 0.00 0.00 179.45 179.36 1h67 h HIS 97 N 1.07 0.29 -0.83 -1.35 2.76 -1.48 -3.35 115.15 112.25 1h67 h HIS 97 Ca 0.35 -0.21 0.15 0.00 -2.20 0.00 0.00 60.37 58.46 1h67 h HIS 97 Cb 0.04 -0.01 -0.10 0.00 1.55 0.00 0.00 27.41 28.89 1h67 h HIS 97 CO -0.02 1.28 0.39 -0.92 -1.30 0.00 0.00 177.93 177.37 1h67 h TYR 98 N 0.04 0.68 0.00 5.26 3.20 0.21 -3.45 116.97 122.92 1h67 h TYR 98 Ca -0.24 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1h67 h TYR 98 Cb 1.99 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 40.08 1h67 h TYR 98 CO 0.04 0.12 0.00 0.41 -1.64 0.00 0.00 178.16 177.10 1h67 n GLY 99 N -1.33 0.45 3.71 1.82 0.00 -0.89 -5.06 105.19 103.89 1h67 n GLY 99 Ca 0.17 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1h67 n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h67 n VAL 100 N 0.00 0.11 -2.33 1.61 0.31 -0.96 -4.95 118.33 112.12 1h67 n VAL 100 Ca 0.00 -0.02 -0.39 0.00 -0.01 0.00 0.00 64.34 63.92 1h67 n VAL 100 Cb 0.00 -2.03 -0.03 0.00 -0.91 0.00 0.00 33.84 30.87 1h67 n VAL 100 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1h67 s LYS 101 N 1.62 4.30 0.34 5.55 1.02 -1.26 -3.96 119.74 127.35 1h67 s LYS 101 Ca 0.77 1.88 0.08 0.00 0.02 0.00 0.00 55.97 58.72 1h67 s LYS 101 Cb -0.50 -2.90 0.80 0.00 -0.52 0.00 0.00 37.83 34.71 1h67 s LYS 101 CO 0.34 -0.12 1.84 -1.35 -0.92 0.00 0.00 175.35 175.13 1h67 h PRO 102 N 3.13 0.70 -0.47 -1.68 0.11 -1.91 0.56 132.00 132.44 1h67 h PRO 102 Ca -0.48 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.72 1h67 h PRO 102 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1h67 h PRO 102 CO 0.64 0.46 0.34 1.25 -0.21 0.00 0.00 178.00 180.49 1h67 h HIS 103 N 0.72 0.00 -0.82 0.65 2.76 -2.01 0.15 115.15 116.60 1h67 h HIS 103 Ca 0.49 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 58.11 1h67 h HIS 103 Cb 0.80 0.00 -0.31 0.00 1.55 0.00 0.00 27.41 29.45 1h67 h HIS 103 CO -0.00 0.00 0.13 -0.25 -1.30 0.00 0.00 177.93 176.51 1h67 n ASP 104 N -4.36 5.73 -3.74 3.26 9.92 0.18 -4.93 116.55 122.62 1h67 n ASP 104 Ca 0.08 -3.77 -0.13 0.00 -0.53 0.00 0.00 54.79 50.45 1h67 n ASP 104 Cb 0.55 -0.70 -0.14 0.00 -0.64 0.00 0.00 41.12 40.20 1h67 n ASP 104 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1h67 s ILE 105 N -4.42 -0.06 0.36 0.53 1.01 0.51 -4.21 121.20 114.92 1h67 s ILE 105 Ca 0.57 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 61.13 1h67 s ILE 105 Cb 0.46 -0.30 -0.09 0.00 0.01 0.00 0.00 42.46 42.53 1h67 s ILE 105 CO 0.02 0.07 1.07 0.72 0.00 0.00 0.00 174.94 176.81 1h67 s PHE 106 N 1.26 3.37 0.30 3.97 -0.12 -1.26 -4.91 117.98 120.60 1h67 s PHE 106 Ca -0.09 1.66 -0.16 0.00 -0.05 0.00 0.00 56.93 58.30 1h67 s PHE 106 Cb -0.11 -3.19 -0.09 0.00 -0.63 0.00 0.00 43.02 39.01 1h67 s PHE 106 CO -0.07 -0.61 0.74 -1.21 -0.05 0.00 0.00 175.22 174.02 1h67 s GLU 107 N -2.13 4.05 0.42 1.99 8.01 -1.26 -4.95 118.70 124.83 1h67 s GLU 107 Ca 0.53 0.72 0.21 0.00 0.01 0.00 0.00 54.97 56.44 1h67 s GLU 107 Cb -0.26 -2.51 1.18 0.00 -4.31 0.00 0.00 34.13 28.23 1h67 s GLU 107 CO 0.32 0.20 1.75 0.00 0.01 0.00 0.00 175.26 177.55 1h67 h ALA 108 N 2.47 2.37 -0.28 5.21 0.00 -1.96 0.26 119.26 127.33 1h67 h ALA 108 Ca -0.48 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1h67 h ALA 108 Cb 1.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1h67 h ALA 108 CO 0.65 -0.80 -0.46 -2.95 0.00 0.00 0.00 179.25 175.69 1h67 h ASN 109 N 0.32 0.79 -0.44 0.00 7.08 -1.97 -0.69 115.58 120.66 1h67 h ASN 109 Ca 0.62 -0.39 -0.00 0.00 -3.08 0.00 0.00 56.30 53.45 1h67 h ASN 109 Cb 1.71 -0.22 -0.02 0.00 -2.08 0.00 0.00 38.32 37.70 1h67 h ASN 109 CO -0.29 1.13 0.26 0.44 -2.08 0.00 0.00 177.43 176.90 1h67 h ASP 110 N 0.58 0.54 -0.02 6.14 3.32 -0.80 0.42 116.42 126.59 1h67 h ASP 110 Ca 0.03 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 1h67 h ASP 110 Cb 1.02 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.45 1h67 h ASP 110 CO 0.10 0.44 -0.60 0.25 -1.72 0.00 0.00 179.24 177.71 1h67 h LEU 111 N 0.59 0.56 0.56 1.55 5.85 -1.48 -1.13 115.31 121.81 1h67 h LEU 111 Ca 0.16 -0.73 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 1h67 h LEU 111 Cb 0.00 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 40.87 1h67 h LEU 111 CO -0.03 1.22 -0.27 0.15 -0.34 0.00 0.00 178.44 179.17 1h67 h PHE 112 N -0.04 -0.70 0.00 1.25 3.57 -1.06 -3.20 116.94 116.76 1h67 h PHE 112 Ca -0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1h67 h PHE 112 Cb 1.29 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1h67 h PHE 112 CO 0.14 -0.43 0.00 0.39 -2.23 0.00 0.00 178.31 176.18 1h67 n GLU 113 N -5.28 0.12 -2.37 1.11 -0.58 0.15 -4.87 120.64 108.92 1h67 n GLU 113 Ca -0.09 0.13 -0.18 0.00 -0.42 0.00 0.00 57.16 56.59 1h67 n GLU 113 Cb 0.30 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.66 1h67 n GLU 113 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1h67 n ASN 114 N -1.42 -5.35 0.03 1.62 4.13 -0.53 -4.89 115.26 108.86 1h67 n ASN 114 Ca 0.07 -0.02 -0.09 0.00 1.68 0.00 0.00 54.58 56.22 1h67 n ASN 114 Cb 0.21 -4.41 0.06 0.00 -1.54 0.00 0.00 39.78 34.10 1h67 n ASN 114 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1h67 h THR 115 N -0.03 1.34 -3.34 3.41 1.35 -1.43 -3.43 112.91 110.78 1h67 h THR 115 Ca -0.44 -1.89 -0.38 0.00 -0.55 0.00 0.00 66.41 63.15 1h67 h THR 115 Cb 1.32 1.88 -0.38 0.00 -1.73 0.00 0.00 68.15 69.25 1h67 h THR 115 CO 0.52 0.58 -0.75 0.21 -0.25 0.00 0.00 175.52 175.83 1h67 s ASN 116 N -6.93 1.07 -0.24 5.36 3.04 -1.14 -5.03 114.94 111.06 1h67 s ASN 116 Ca -0.06 0.02 -0.10 0.00 0.04 0.00 0.00 52.86 52.76 1h67 s ASN 116 Cb 0.11 -0.22 -0.11 0.00 -1.54 0.00 0.00 41.25 39.49 1h67 s ASN 116 CO 0.83 -0.21 -0.30 1.41 -3.04 0.00 0.00 177.10 175.80 1h67 n HIS 117 N 5.02 0.00 -0.31 0.43 8.25 -1.26 -4.21 115.22 123.14 1h67 n HIS 117 Ca -0.09 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.48 1h67 n HIS 117 Cb 0.50 -0.89 0.28 0.00 1.12 0.00 0.00 29.99 31.00 1h67 n HIS 117 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1h67 h THR 118 N -0.74 0.60 -0.92 1.59 2.02 -1.99 0.12 112.91 113.59 1h67 h THR 118 Ca -0.61 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 66.45 1h67 h THR 118 Cb 1.59 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 1h67 h THR 118 CO -0.33 0.10 0.60 -0.61 0.37 0.00 0.00 175.52 175.65 1h67 h GLN 119 N 0.53 1.03 -0.32 6.66 5.75 -2.00 -1.86 115.11 124.90 1h67 h GLN 119 Ca 0.53 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.97 1h67 h GLN 119 Cb 0.89 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 1h67 h GLN 119 CO -0.45 0.68 0.21 0.28 -2.65 0.00 0.00 178.83 176.91 1h67 h VAL 120 N 1.06 1.08 -0.43 2.39 2.07 -0.98 -0.23 116.25 121.21 1h67 h VAL 120 Ca 0.40 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 1h67 h VAL 120 Cb 0.19 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1h67 h VAL 120 CO -0.15 0.08 0.21 -0.61 0.02 0.00 0.00 177.57 177.12 1h67 h GLN 121 N 0.43 0.61 -0.78 1.57 4.15 -1.22 -2.84 115.11 117.03 1h67 h GLN 121 Ca 0.12 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 1h67 h GLN 121 Cb -0.04 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1h67 h GLN 121 CO -0.03 0.53 0.30 1.03 -1.93 0.00 0.00 178.83 178.72 1h67 h SER 122 N 0.55 1.09 -0.60 -0.69 0.87 -1.13 -2.89 113.55 110.75 1h67 h SER 122 Ca 0.15 -0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.61 1h67 h SER 122 Cb 0.11 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 61.73 1h67 h SER 122 CO -0.02 0.97 0.27 0.74 -0.53 0.00 0.00 176.83 178.26 1h67 h THR 123 N 1.14 0.86 -0.84 2.23 2.02 -0.81 -0.98 112.91 116.53 1h67 h THR 123 Ca 0.26 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 67.33 1h67 h THR 123 Cb 0.23 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 1h67 h THR 123 CO -0.02 0.09 0.55 -0.07 0.37 0.00 0.00 175.52 176.44 1h67 h LEU 124 N 0.50 0.82 -0.22 2.58 3.38 -1.32 -1.29 115.31 119.76 1h67 h LEU 124 Ca 0.28 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1h67 h LEU 124 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1h67 h LEU 124 CO -0.24 0.53 0.15 0.40 0.09 0.00 0.00 178.44 179.37 1h67 h ILE 125 N 0.93 1.06 -0.18 1.22 1.08 -1.13 -1.79 117.51 118.70 1h67 h ILE 125 Ca 0.36 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.71 1h67 h ILE 125 Cb 0.22 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1h67 h ILE 125 CO -0.13 0.05 0.04 0.00 -0.69 0.00 0.00 178.15 177.43 1h67 h ALA 126 N 1.08 0.24 -0.58 1.87 0.00 -1.04 -2.81 119.26 118.02 1h67 h ALA 126 Ca 0.08 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1h67 h ALA 126 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1h67 h ALA 126 CO -0.02 -0.12 0.39 1.25 0.00 0.00 0.00 179.25 180.76 1h67 h LEU 127 N 0.10 0.32 -0.42 0.00 5.85 -1.14 -1.88 115.31 118.15 1h67 h LEU 127 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1h67 h LEU 127 Cb 0.27 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1h67 h LEU 127 CO 0.00 0.19 0.28 0.00 -0.34 0.00 0.00 178.44 178.57 1h67 h ALA 128 N 1.71 0.53 -0.78 1.25 0.00 -1.05 -2.36 119.26 118.56 1h67 h ALA 128 Ca 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1h67 h ALA 128 Cb 0.59 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1h67 h ALA 128 CO -0.07 -0.01 0.52 0.66 0.00 0.00 0.00 179.25 180.35 1h67 h SER 129 N 0.57 0.87 0.16 0.00 4.64 -1.32 -1.21 113.55 117.26 1h67 h SER 129 Ca 0.15 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1h67 h SER 129 Cb -0.06 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 1h67 h SER 129 CO -0.03 0.62 -0.08 1.56 -0.87 0.00 0.00 176.83 178.03 1h67 h GLN 130 N 1.02 -0.21 -0.23 4.77 7.50 -1.37 -1.46 115.11 125.13 1h67 h GLN 130 Ca 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.45 1h67 h GLN 130 Cb -0.06 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 1h67 h GLN 130 CO -0.07 0.02 0.10 0.00 -1.50 0.00 0.00 178.83 177.37 1h67 h ALA 131 N 0.38 0.30 -0.19 3.87 0.00 -1.21 0.23 119.26 122.63 1h67 h ALA 131 Ca -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1h67 h ALA 131 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1h67 h ALA 131 CO 0.04 -0.12 0.09 1.57 0.00 0.00 0.00 179.25 180.82 1h67 h LYS 132 N 0.22 0.28 -0.32 0.00 2.10 -1.27 -2.99 116.57 114.59 1h67 h LYS 132 Ca 0.08 -0.05 -0.13 0.00 -2.00 0.00 0.00 60.65 58.56 1h67 h LYS 132 Cb 0.16 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1h67 h LYS 132 CO -0.01 0.33 -0.31 1.15 -2.00 0.00 0.00 179.45 178.61 1h67 h THR 133 N 0.17 1.28 0.00 0.07 2.02 -1.24 -3.51 112.91 111.70 1h67 h THR 133 Ca 0.06 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1h67 h THR 133 Cb 0.14 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1h67 h THR 133 CO -0.01 0.47 0.00 1.17 0.37 0.00 0.00 175.52 177.52