#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 2.63 -1.93 0.03 -0.02 -1.26 -4.92 135.00 129.53 1h67 n PRO 28 Ca 0.00 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 1h67 n PRO 28 Cb 0.00 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 30.72 1h67 n PRO 28 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1h67 s GLN 29 N 0.08 4.21 -0.07 -0.52 -2.07 -1.26 -4.93 119.66 115.11 1h67 s GLN 29 Ca 0.69 2.38 -0.30 0.00 -1.82 0.00 0.00 55.36 56.31 1h67 s GLN 29 Cb -0.52 -3.13 -0.05 0.00 -1.09 0.00 0.00 33.01 28.22 1h67 s GLN 29 CO 0.43 -0.58 1.53 -0.08 -1.32 0.00 0.00 175.29 175.27 1h67 s THR 30 N 0.86 3.73 0.00 3.63 -1.32 -1.26 -4.66 115.64 116.62 1h67 s THR 30 Ca 0.68 0.94 0.00 0.00 -1.21 0.00 0.00 61.69 62.10 1h67 s THR 30 Cb -0.44 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 66.95 1h67 s THR 30 CO 0.34 -0.07 0.00 1.21 -2.21 0.00 0.00 174.62 173.90 1h67 n GLU 31 N 6.70 0.00 -0.20 7.08 4.07 -1.26 -4.98 120.64 132.06 1h67 n GLU 31 Ca 0.16 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.31 1h67 n GLU 31 Cb 0.43 0.00 0.33 0.00 -0.06 0.00 0.00 31.44 32.14 1h67 n GLU 31 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1h67 h ARG 32 N 0.00 0.79 -0.92 5.31 2.43 -2.01 -2.04 114.38 117.93 1h67 h ARG 32 Ca 0.00 -0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.32 1h67 h ARG 32 Cb 0.00 -0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 29.26 1h67 h ARG 32 CO 0.00 0.52 0.49 1.96 -1.51 0.00 0.00 179.97 181.43 1h67 h GLN 33 N 0.81 0.56 -0.30 0.20 1.08 -1.94 -0.08 115.11 115.44 1h67 h GLN 33 Ca 0.31 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 1h67 h GLN 33 Cb 0.21 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1h67 h GLN 33 CO -0.10 0.37 0.15 -0.07 -0.95 0.00 0.00 178.83 178.23 1h67 h LEU 34 N 0.58 0.38 0.61 1.46 3.38 -1.67 -1.27 115.31 118.78 1h67 h LEU 34 Ca 0.55 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 1h67 h LEU 34 Cb 0.94 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1h67 h LEU 34 CO -0.44 0.39 -0.29 0.03 0.09 0.00 0.00 178.44 178.22 1h67 h ARG 35 N 0.35 -0.79 -0.97 1.13 -0.00 -1.18 -2.75 114.38 110.17 1h67 h ARG 35 Ca 0.10 0.05 0.17 0.00 -0.50 0.00 0.00 59.98 59.81 1h67 h ARG 35 Cb 0.10 0.18 -0.09 0.00 0.00 0.00 0.00 29.97 30.16 1h67 h ARG 35 CO -0.01 -0.48 0.61 0.28 0.00 0.00 0.00 179.97 180.37 1h67 h VAL 36 N -1.07 0.77 0.00 2.04 2.07 -1.13 0.18 116.25 119.11 1h67 h VAL 36 Ca -0.08 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1h67 h VAL 36 Cb 0.68 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1h67 h VAL 36 CO 0.14 0.13 0.00 1.87 0.02 0.00 0.00 177.57 179.73 1h67 n TRP 37 N -4.65 0.00 -0.00 1.57 -0.00 -0.48 -1.05 117.44 112.83 1h67 n TRP 37 Ca 0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.58 1h67 n TRP 37 Cb 0.54 -0.44 -0.08 0.00 -0.00 0.00 0.00 31.31 31.32 1h67 n TRP 37 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1h67 h ILE 38 N 0.00 1.25 -0.61 5.87 2.04 -1.41 -2.24 117.51 122.41 1h67 h ILE 38 Ca 0.00 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.17 1h67 h ILE 38 Cb 0.00 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1h67 h ILE 38 CO 0.00 0.20 0.33 -0.33 0.00 0.00 0.00 178.15 178.34 1h67 h GLU 39 N -0.27 0.60 -0.26 2.37 5.08 -0.78 -1.68 114.58 119.65 1h67 h GLU 39 Ca 0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1h67 h GLU 39 Cb 0.32 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1h67 h GLU 39 CO 0.00 0.40 -0.00 0.78 -1.00 0.00 0.00 179.01 179.18 1h67 h GLY 40 N 0.62 0.41 0.29 -3.84 0.00 -1.07 0.24 103.07 99.72 1h67 h GLY 40 Ca 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1h67 h GLY 40 CO -0.17 0.21 -0.48 0.00 0.00 0.00 0.00 176.54 176.10 1h67 h ALA 41 N 1.63 -1.05 0.00 3.60 0.00 -0.67 -3.36 119.26 119.42 1h67 h ALA 41 Ca 0.08 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1h67 h ALA 41 Cb 0.26 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1h67 h ALA 41 CO 0.01 -1.12 -0.74 1.79 0.00 0.00 0.00 179.25 179.18 1h67 h THR 42 N -0.82 0.31 0.00 0.00 1.35 -1.53 -3.50 112.91 108.72 1h67 h THR 42 Ca -0.03 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1h67 h THR 42 Cb 0.76 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1h67 h THR 42 CO -0.16 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 1h67 n GLY 43 N 1.56 0.62 2.92 5.82 0.00 0.83 -5.12 105.19 111.81 1h67 n GLY 43 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 1h67 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h67 s ARG 44 N 0.00 0.79 -0.07 1.61 1.81 -1.09 -5.02 118.95 116.98 1h67 s ARG 44 Ca 0.00 -0.15 -0.00 0.00 -1.72 0.00 0.00 55.73 53.86 1h67 s ARG 44 Cb 0.00 -0.78 0.04 0.00 -0.45 0.00 0.00 34.95 33.75 1h67 s ARG 44 CO 0.00 -0.02 2.07 0.54 -0.68 0.00 0.00 175.30 177.21 1h67 n ARG 45 N 3.77 1.23 0.00 3.54 5.12 -1.26 -4.37 116.66 124.69 1h67 n ARG 45 Ca -0.23 -0.40 0.00 0.00 -1.93 0.00 0.00 57.85 55.29 1h67 n ARG 45 Cb 0.52 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 1h67 n ARG 45 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1h67 n ILE 46 N 1.28 0.00 0.00 0.55 5.41 -1.26 -4.33 119.36 121.01 1h67 n ILE 46 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1h67 n ILE 46 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 1h67 n ILE 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1h67 n GLY 47 N 0.00 2.12 3.63 7.39 0.00 -1.26 -4.96 105.19 112.12 1h67 n GLY 47 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 1h67 n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h67 s ASP 48 N 0.00 -0.21 1.89 1.61 2.15 -1.26 -5.06 116.67 115.80 1h67 s ASP 48 Ca 0.00 0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1h67 s ASP 48 Cb 0.00 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 1h67 s ASP 48 CO 0.00 -0.10 0.00 -3.20 -0.17 0.00 0.00 175.17 171.70 1h67 n ASN 49 N 1.47 0.00 0.00 -0.34 4.05 -1.26 -2.71 115.26 116.47 1h67 n ASN 49 Ca -0.09 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.94 1h67 n ASN 49 Cb 0.57 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.58 1h67 n ASN 49 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1h67 n PHE 50 N 13.79 -1.06 0.00 1.20 7.35 -1.26 -4.89 117.46 132.59 1h67 n PHE 50 Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 1h67 n PHE 50 Cb 0.00 0.21 -0.14 0.00 0.35 0.00 0.00 39.48 39.90 1h67 n PHE 50 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1h67 h MET 51 N 0.00 0.22 -0.83 -4.13 2.86 -2.00 -3.31 114.93 107.75 1h67 h MET 51 Ca 0.00 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1h67 h MET 51 Cb 0.00 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1h67 h MET 51 CO 0.00 1.18 0.47 -0.44 1.06 0.00 0.00 176.91 179.19 1h67 h ASP 52 N -0.37 1.01 0.07 1.22 3.32 -1.93 -2.19 116.42 117.55 1h67 h ASP 52 Ca -0.29 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 1h67 h ASP 52 Cb 1.70 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.99 1h67 h ASP 52 CO 0.05 0.80 -0.11 1.23 -1.72 0.00 0.00 179.24 179.48 1h67 h GLY 53 N 1.17 0.13 2.00 2.75 0.00 -1.66 -2.24 103.07 105.22 1h67 h GLY 53 Ca 0.29 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.44 1h67 h GLY 53 CO -0.05 0.06 -0.57 1.41 0.00 0.00 0.00 176.54 177.39 1h67 h LEU 54 N 0.11 0.00 -0.63 3.11 3.38 -1.48 -3.34 115.31 116.46 1h67 h LEU 54 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1h67 h LEU 54 Cb 0.28 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 1h67 h LEU 54 CO 0.02 0.57 -0.50 0.11 0.09 0.00 0.00 178.44 178.74 1h67 h LYS 55 N 0.00 -0.22 -0.90 1.13 1.57 -1.21 -0.22 116.57 116.72 1h67 h LYS 55 Ca -0.01 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1h67 h LYS 55 Cb 1.10 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 1h67 h LYS 55 CO 0.07 -0.14 0.59 0.38 -0.57 0.00 0.00 179.45 179.78 1h67 h ASP 56 N -0.22 0.95 -3.97 0.86 2.03 -1.73 -3.46 116.42 110.87 1h67 h ASP 56 Ca 0.16 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1h67 h ASP 56 Cb 0.55 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1h67 h ASP 56 CO -0.73 0.63 -0.56 0.61 -1.03 0.00 0.00 179.24 178.17 1h67 n GLY 57 N -1.40 -4.57 2.19 7.15 0.00 -0.10 -4.42 105.19 104.05 1h67 n GLY 57 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.06 0.00 -0.17 1.61 0.31 -1.26 -4.81 118.33 115.06 1h67 n VAL 58 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1h67 n VAL 58 Cb 0.00 -0.04 0.01 0.00 -0.91 0.00 0.00 33.84 32.90 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 1.23 -0.65 2.52 5.03 -1.94 -1.29 117.51 122.40 1h67 h ILE 59 Ca 0.00 -0.79 0.02 0.00 -0.12 0.00 0.00 64.86 63.98 1h67 h ILE 59 Cb 0.00 0.80 -0.04 0.00 -3.03 0.00 0.00 36.82 34.55 1h67 h ILE 59 CO 0.00 0.29 0.41 -0.07 -0.68 0.00 0.00 178.15 178.10 1h67 h LEU 60 N 0.67 0.69 -0.95 1.44 3.38 -1.94 0.37 115.31 118.96 1h67 h LEU 60 Ca 0.16 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1h67 h LEU 60 Cb 0.29 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1h67 h LEU 60 CO -0.00 0.48 0.13 0.00 0.09 0.00 0.00 178.44 179.14 1h67 h GLU 62 N 0.86 0.88 0.65 0.00 5.08 -0.16 -1.82 114.58 120.08 1h67 h GLU 62 Ca 0.19 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1h67 h GLU 62 Cb 0.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1h67 h GLU 62 CO 0.00 1.03 -0.49 1.25 -1.00 0.00 0.00 179.01 179.80 1h67 h LEU 63 N 0.76 -1.28 -1.62 1.33 5.85 0.09 -1.88 115.31 118.56 1h67 h LEU 63 Ca 0.09 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1h67 h LEU 63 Cb 0.80 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1h67 h LEU 63 CO 0.07 -0.70 0.16 -0.29 -0.34 0.00 0.00 178.44 177.34 1h67 h ILE 64 N -1.09 1.10 -0.39 4.05 6.09 -1.56 -0.54 117.51 125.16 1h67 h ILE 64 Ca -0.09 -0.26 0.09 0.00 -1.37 0.00 0.00 64.86 63.24 1h67 h ILE 64 Cb 0.90 0.69 -0.02 0.00 0.47 0.00 0.00 36.82 38.87 1h67 h ILE 64 CO 0.03 0.11 0.28 -1.13 -3.07 0.00 0.00 178.15 174.36 1h67 h ASN 65 N 0.42 0.11 0.06 2.19 -0.73 -0.77 0.82 115.58 117.68 1h67 h ASN 65 Ca 0.11 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 1h67 h ASN 65 Cb 0.02 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1h67 h ASN 65 CO -0.02 0.07 -0.03 0.11 -0.37 0.00 0.00 177.43 177.19 1h67 h LYS 66 N 0.12 -0.08 0.60 6.67 1.79 -0.31 -3.39 116.57 121.96 1h67 h LYS 66 Ca 0.18 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.63 1h67 h LYS 66 Cb 0.57 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1h67 h LYS 66 CO -0.02 0.50 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.49 1h67 h LEU 67 N -0.90 -0.68 -9.54 2.94 3.38 -1.17 -3.44 115.31 105.91 1h67 h LEU 67 Ca -0.01 0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.42 1h67 h LEU 67 Cb 0.61 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1h67 h LEU 67 CO 0.01 -0.28 -0.00 -1.58 0.09 0.00 0.00 178.44 176.68 1h67 s GLN 68 N -4.15 4.32 0.11 1.13 0.74 0.28 -5.04 119.66 117.05 1h67 s GLN 68 Ca -0.12 0.76 -0.31 0.00 0.05 0.00 0.00 55.36 55.74 1h67 s GLN 68 Cb 0.01 -3.34 -0.07 0.00 1.10 0.00 0.00 33.01 30.71 1h67 s GLN 68 CO 0.35 0.38 1.30 -1.25 -0.55 0.00 0.00 175.29 175.52 1h67 s PRO 69 N -0.24 4.38 -1.39 1.67 0.04 -1.26 -3.42 135.00 134.77 1h67 s PRO 69 Ca 0.31 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 1h67 s PRO 69 Cb -0.18 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1h67 s PRO 69 CO 0.18 -0.33 1.00 0.41 0.04 0.00 0.00 177.00 178.29 1h67 n GLY 70 N 3.19 -0.45 0.21 0.56 0.00 -1.26 -4.90 105.19 102.54 1h67 n GLY 70 Ca 0.10 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.22 0.66 -4.13 1.61 0.02 -1.81 -3.45 113.55 104.23 1h67 h SER 71 Ca -0.58 -0.31 -0.22 0.00 -0.84 0.00 0.00 61.79 59.83 1h67 h SER 71 Cb 1.37 -0.18 -0.26 0.00 0.14 0.00 0.00 62.40 63.47 1h67 h SER 71 CO 0.59 0.81 -0.72 -0.69 -1.14 0.00 0.00 176.83 175.69 1h67 s VAL 72 N -4.98 0.08 0.00 2.27 1.01 -1.26 -4.66 120.40 112.86 1h67 s VAL 72 Ca -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1h67 s VAL 72 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.35 1h67 s VAL 72 CO 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.74 1h67 n GLN 73 N 2.59 2.67 0.27 2.72 1.13 -1.26 -4.74 117.38 120.77 1h67 n GLN 73 Ca -0.16 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.09 1h67 n GLN 73 Cb 0.58 0.00 0.93 0.00 0.11 0.00 0.00 30.24 31.87 1h67 n GLN 73 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1h67 h LYS 74 N 0.00 0.00 -2.80 -1.09 1.57 -2.02 -3.48 116.57 108.75 1h67 h LYS 74 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h67 h LYS 74 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1h67 h LYS 74 CO 0.00 0.00 -0.57 0.28 -0.57 0.00 0.00 179.45 178.59 1h67 n VAL 75 N -2.84 -7.24 -3.09 0.50 0.31 -1.26 -4.95 118.33 99.76 1h67 n VAL 75 Ca -0.02 1.89 -0.39 0.00 -0.01 0.00 0.00 64.34 65.81 1h67 n VAL 75 Cb 0.12 -3.57 -0.05 0.00 -0.91 0.00 0.00 33.84 29.43 1h67 n VAL 75 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1h67 s ASN 76 N -0.73 7.03 0.13 4.52 0.01 -1.26 -5.03 114.94 119.61 1h67 s ASN 76 Ca 0.00 1.24 -0.31 0.00 -0.71 0.00 0.00 52.86 53.08 1h67 s ASN 76 Cb 0.00 -2.41 -0.08 0.00 0.41 0.00 0.00 41.25 39.17 1h67 s ASN 76 CO 0.00 -0.01 1.34 -1.81 -1.51 0.00 0.00 177.10 175.11 1h67 s ASP 77 N 0.24 6.88 -0.02 -1.22 1.01 -1.26 -4.86 116.67 117.45 1h67 s ASP 77 Ca 0.35 2.30 -0.30 0.00 0.71 0.00 0.00 52.55 55.61 1h67 s ASP 77 Cb -0.19 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 1h67 s ASP 77 CO 0.19 -0.59 2.02 -2.65 0.21 0.00 0.00 175.17 174.34 1h67 n PRO 78 N 3.61 2.66 0.19 8.23 -0.02 -1.26 -4.64 135.00 143.76 1h67 n PRO 78 Ca 0.10 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1h67 n PRO 78 Cb 0.43 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.88 1h67 n PRO 78 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1h67 n VAL 79 N 5.93 0.00 0.00 -1.45 0.31 -1.26 -5.11 118.33 116.74 1h67 n VAL 79 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1h67 n VAL 79 Cb 0.41 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1h67 n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h67 n GLN 80 N -3.37 0.00 0.00 5.55 6.02 -1.26 -5.07 117.38 119.25 1h67 n GLN 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1h67 n GLN 80 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1h67 n GLN 80 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1h67 n ASN 81 N 0.00 0.65 0.22 1.08 4.13 -1.26 -4.78 115.26 115.30 1h67 n ASN 81 Ca 0.00 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.41 1h67 n ASN 81 Cb 0.00 0.00 0.65 0.00 -1.54 0.00 0.00 39.78 38.89 1h67 n ASN 81 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 1h67 h TRP 82 N 0.00 0.00 -0.26 3.10 5.08 -2.00 -3.09 115.95 118.78 1h67 h TRP 82 Ca 0.00 0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.02 1h67 h TRP 82 Cb 0.48 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.60 1h67 h TRP 82 CO 0.00 0.00 -0.03 0.45 -1.28 0.00 0.00 178.44 177.58 1h67 h HIS 83 N 0.00 -0.06 -0.54 0.12 3.86 -1.92 -2.10 115.15 114.50 1h67 h HIS 83 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1h67 h HIS 83 Cb 0.38 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1h67 h HIS 83 CO 0.00 -0.07 0.22 0.87 0.86 0.00 0.00 177.93 179.81 1h67 h LYS 84 N 0.05 0.81 -0.49 2.45 1.57 -1.75 -2.42 116.57 116.78 1h67 h LYS 84 Ca 0.13 -0.15 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1h67 h LYS 84 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1h67 h LYS 84 CO -0.23 0.70 0.34 -0.07 -0.57 0.00 0.00 179.45 179.62 1h67 h LEU 85 N 0.74 0.13 0.05 2.94 3.38 -1.53 0.75 115.31 121.76 1h67 h LEU 85 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1h67 h LEU 85 Cb 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1h67 h LEU 85 CO -0.02 0.07 -0.02 -0.08 0.09 0.00 0.00 178.44 178.49 1h67 h GLU 86 N 0.14 -0.06 -0.53 1.13 4.57 -0.93 -1.42 114.58 117.47 1h67 h GLU 86 Ca 0.23 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1h67 h GLU 86 Cb 0.74 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 1h67 h GLU 86 CO -0.03 0.57 0.33 -0.91 -1.18 0.00 0.00 179.01 177.79 1h67 h ASN 87 N -0.87 0.56 -0.40 1.04 2.35 -1.03 -1.12 115.58 116.10 1h67 h ASN 87 Ca -0.01 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1h67 h ASN 87 Cb 0.66 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1h67 h ASN 87 CO 0.01 0.40 -0.13 0.40 -1.65 0.00 0.00 177.43 176.46 1h67 h ILE 88 N 0.67 1.28 -0.39 2.81 2.04 -0.98 -2.65 117.51 120.29 1h67 h ILE 88 Ca 0.21 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1h67 h ILE 88 Cb -0.02 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1h67 h ILE 88 CO -0.07 0.42 0.23 1.23 0.00 0.00 0.00 178.15 179.96 1h67 h GLY 89 N 0.61 0.54 1.05 5.37 0.00 -0.90 -1.90 103.07 107.85 1h67 h GLY 89 Ca 0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1h67 h GLY 89 CO 0.05 0.16 0.28 3.43 0.00 0.00 0.00 176.54 180.46 1h67 h ASN 90 N 0.48 1.08 0.14 0.19 2.35 -1.21 0.26 115.58 118.87 1h67 h ASN 90 Ca 0.15 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1h67 h ASN 90 Cb -0.01 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1h67 h ASN 90 CO -0.06 0.97 -0.07 0.15 -1.65 0.00 0.00 177.43 176.77 1h67 h PHE 91 N 1.12 -0.18 -0.39 1.19 3.57 -1.16 -0.04 116.94 121.04 1h67 h PHE 91 Ca 0.25 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1h67 h PHE 91 Cb 0.25 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1h67 h PHE 91 CO 0.02 -0.09 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.86 1h67 h LEU 92 N -0.22 0.75 -0.90 0.59 3.38 -1.27 -1.92 115.31 115.71 1h67 h LEU 92 Ca -0.02 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.64 1h67 h LEU 92 Cb 0.17 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1h67 h LEU 92 CO 0.03 0.93 0.58 -0.09 0.09 0.00 0.00 178.44 179.98 1h67 h ARG 93 N 0.56 1.08 -0.29 1.13 1.12 -0.85 0.30 114.38 117.42 1h67 h ARG 93 Ca 0.10 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.86 1h67 h ARG 93 Cb 0.59 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 1h67 h ARG 93 CO 0.04 0.71 0.01 0.00 -3.11 0.00 0.00 179.97 177.62 1h67 h ALA 94 N 1.38 0.39 0.00 2.80 0.00 -0.84 -3.03 119.26 119.95 1h67 h ALA 94 Ca 0.37 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1h67 h ALA 94 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1h67 h ALA 94 CO -0.13 0.12 -0.45 -0.84 0.00 0.00 0.00 179.25 177.95 1h67 h ILE 95 N 0.30 1.10 0.00 0.00 3.07 -0.88 0.27 117.51 121.36 1h67 h ILE 95 Ca 0.08 -1.69 0.00 0.00 1.55 0.00 0.00 64.86 64.80 1h67 h ILE 95 Cb 0.41 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 1h67 h ILE 95 CO 0.01 0.44 0.00 0.29 -1.05 0.00 0.00 178.15 177.85 1h67 n LYS 96 N -3.67 0.84 0.00 0.16 5.02 0.10 -2.67 118.16 117.94 1h67 n LYS 96 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1h67 n LYS 96 Cb 0.53 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1h67 n LYS 96 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1h67 n HIS 97 N 0.44 0.00 -0.25 2.13 -0.00 -1.15 -4.76 115.22 111.63 1h67 n HIS 97 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 1h67 n HIS 97 Cb 0.36 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.34 1h67 n HIS 97 CO 0.00 0.00 0.00 -0.92 0.46 0.00 0.00 176.34 175.88 1h67 h TYR 98 N 0.00 0.76 0.00 1.57 3.20 -0.44 -3.45 116.97 118.61 1h67 h TYR 98 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1h67 h TYR 98 Cb 0.00 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.03 1h67 h TYR 98 CO 0.00 0.38 0.00 0.41 -1.64 0.00 0.00 178.16 177.31 1h67 n GLY 99 N -1.29 -0.04 3.71 1.82 0.00 -1.22 -5.07 105.19 103.08 1h67 n GLY 99 Ca 0.09 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1h67 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h67 s VAL 100 N -1.51 2.80 0.28 1.61 1.01 -1.09 -4.96 120.40 118.54 1h67 s VAL 100 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1h67 s VAL 100 Cb 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1h67 s VAL 100 CO 0.00 0.03 1.28 -0.54 0.00 0.00 0.00 175.10 175.86 1h67 s LYS 101 N 1.62 4.41 0.31 2.72 1.02 -1.26 -4.12 119.74 124.44 1h67 s LYS 101 Ca 0.71 2.10 0.05 0.00 0.02 0.00 0.00 55.97 58.86 1h67 s LYS 101 Cb -0.42 -3.13 0.70 0.00 -0.52 0.00 0.00 37.83 34.46 1h67 s LYS 101 CO 0.31 -0.15 1.82 -1.35 -0.92 0.00 0.00 175.35 175.06 1h67 h PRO 102 N 4.10 0.80 -0.25 -1.68 0.11 -1.89 0.14 132.00 133.34 1h67 h PRO 102 Ca -0.47 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.66 1h67 h PRO 102 Cb 1.22 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1h67 h PRO 102 CO 0.70 0.53 0.20 1.25 -0.21 0.00 0.00 178.00 180.47 1h67 h HIS 103 N 0.83 0.00 -0.87 0.65 2.76 -1.99 0.16 115.15 116.68 1h67 h HIS 103 Ca 0.52 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 58.15 1h67 h HIS 103 Cb 0.73 0.00 -0.29 0.00 1.55 0.00 0.00 27.41 29.40 1h67 h HIS 103 CO -0.00 0.00 0.45 -0.25 -1.30 0.00 0.00 177.93 176.82 1h67 n ASP 104 N -4.22 5.52 -3.74 3.26 8.00 0.48 -4.90 116.55 120.96 1h67 n ASP 104 Ca 0.03 -3.74 -0.15 0.00 0.71 0.00 0.00 54.79 51.65 1h67 n ASP 104 Cb 0.35 -0.81 -0.15 0.00 -0.02 0.00 0.00 41.12 40.50 1h67 n ASP 104 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h67 s ILE 105 N -4.17 -0.08 0.00 0.53 1.01 0.56 -4.80 121.20 114.24 1h67 s ILE 105 Ca 0.58 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1h67 s ILE 105 Cb 0.47 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.74 1h67 s ILE 105 CO 0.03 0.09 0.00 2.22 0.00 0.00 0.00 174.94 177.28 1h67 n PHE 106 N 4.41 -0.19 -4.04 3.97 1.16 -1.26 -4.93 117.46 116.58 1h67 n PHE 106 Ca -0.23 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.23 1h67 n PHE 106 Cb 0.51 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.26 1h67 n PHE 106 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1h67 s GLU 107 N 0.00 0.46 0.46 3.97 2.02 -1.26 -5.01 118.70 119.34 1h67 s GLU 107 Ca 0.00 -0.69 0.15 0.00 0.02 0.00 0.00 54.97 54.45 1h67 s GLU 107 Cb 0.00 -0.18 0.80 0.00 0.10 0.00 0.00 34.13 34.85 1h67 s GLU 107 CO 0.00 0.02 1.37 0.00 0.02 0.00 0.00 175.26 176.67 1h67 h ALA 108 N 4.61 1.37 0.03 5.21 0.00 -1.98 0.71 119.26 129.20 1h67 h ALA 108 Ca -0.34 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.32 1h67 h ALA 108 Cb 1.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1h67 h ALA 108 CO 0.41 -0.37 -1.01 -2.95 0.00 0.00 0.00 179.25 175.33 1h67 h ASN 109 N 0.00 0.59 -0.47 0.00 7.08 -1.96 -1.52 115.58 119.30 1h67 h ASN 109 Ca 0.00 -0.50 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 1h67 h ASN 109 Cb 0.90 -0.18 -0.02 0.00 -2.08 0.00 0.00 38.32 36.94 1h67 h ASN 109 CO 0.00 1.31 0.31 -2.24 -2.08 0.00 0.00 177.43 174.73 1h67 h ASP 110 N 0.24 0.54 0.13 6.14 2.03 -1.16 0.93 116.42 125.26 1h67 h ASP 110 Ca -0.10 -0.01 -0.27 0.00 -0.73 0.00 0.00 57.03 55.91 1h67 h ASP 110 Cb 1.66 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 40.03 1h67 h ASP 110 CO 0.18 0.39 -1.38 0.25 -1.03 0.00 0.00 179.24 177.65 1h67 h LEU 111 N 0.63 0.42 0.16 0.15 5.85 -1.66 -2.68 115.31 118.19 1h67 h LEU 111 Ca 0.17 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 58.01 1h67 h LEU 111 Cb -0.07 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1h67 h LEU 111 CO -0.04 1.61 -0.08 0.15 -0.34 0.00 0.00 178.44 179.75 1h67 h PHE 112 N -0.26 -0.20 0.00 1.25 3.57 -1.06 -3.33 116.94 116.91 1h67 h PHE 112 Ca -0.29 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1h67 h PHE 112 Cb 1.79 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.59 1h67 h PHE 112 CO 0.13 -0.12 0.00 0.39 -2.23 0.00 0.00 178.31 176.48 1h67 n GLU 113 N -4.92 0.81 -3.66 1.11 1.02 0.32 -4.89 120.64 110.43 1h67 n GLU 113 Ca -0.03 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 1h67 n GLU 113 Cb 0.09 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.07 1h67 n GLU 113 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1h67 n ASN 114 N -1.07 -5.61 0.01 1.62 2.85 -0.93 -4.91 115.26 107.22 1h67 n ASN 114 Ca 0.20 -0.60 -0.09 0.00 -0.11 0.00 0.00 54.58 53.98 1h67 n ASN 114 Cb 0.13 -4.77 -0.13 0.00 1.24 0.00 0.00 39.78 36.25 1h67 n ASN 114 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1h67 h THR 115 N -2.50 1.12 0.00 -0.44 1.35 -1.47 -3.44 112.91 107.53 1h67 h THR 115 Ca -0.57 -2.92 -0.23 0.00 -0.55 0.00 0.00 66.41 62.14 1h67 h THR 115 Cb 1.37 2.57 -0.14 0.00 -1.73 0.00 0.00 68.15 70.22 1h67 h THR 115 CO 0.58 0.66 -0.46 -3.20 -0.25 0.00 0.00 175.52 172.85 1h67 n ASN 116 N -3.17 -2.63 0.02 5.36 2.85 -1.20 -4.94 115.26 111.55 1h67 n ASN 116 Ca -0.12 -3.47 0.03 0.00 -0.11 0.00 0.00 54.58 50.91 1h67 n ASN 116 Cb 1.02 1.87 0.41 0.00 1.24 0.00 0.00 39.78 44.32 1h67 n ASN 116 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1h67 h HIS 117 N 3.53 0.47 -0.84 1.20 3.86 -1.85 -2.63 115.15 118.90 1h67 h HIS 117 Ca -0.13 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.26 1h67 h HIS 117 Cb 1.06 -0.15 -0.11 0.00 1.06 0.00 0.00 27.41 29.27 1h67 h HIS 117 CO 0.15 0.35 0.35 1.15 0.86 0.00 0.00 177.93 180.79 1h67 h THR 118 N 0.49 0.56 -0.19 2.45 2.02 -1.94 0.25 112.91 116.55 1h67 h THR 118 Ca 0.13 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1h67 h THR 118 Cb 0.04 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1h67 h THR 118 CO -0.02 0.08 -0.19 -0.61 0.37 0.00 0.00 175.52 175.15 1h67 h GLN 119 N 0.43 0.33 -0.46 6.66 5.75 -1.90 -3.03 115.11 122.89 1h67 h GLN 119 Ca 0.49 -0.10 0.08 0.00 -0.15 0.00 0.00 58.65 58.97 1h67 h GLN 119 Cb 0.85 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.29 1h67 h GLN 119 CO -0.47 0.52 0.05 0.28 -2.65 0.00 0.00 178.83 176.56 1h67 h VAL 120 N 0.31 0.70 -0.09 2.39 2.07 -0.54 0.11 116.25 121.20 1h67 h VAL 120 Ca 0.05 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1h67 h VAL 120 Cb 0.51 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1h67 h VAL 120 CO 0.03 0.03 0.03 -0.61 0.02 0.00 0.00 177.57 177.07 1h67 h GLN 121 N 0.18 0.15 -0.91 1.57 4.15 -1.42 -2.97 115.11 115.86 1h67 h GLN 121 Ca 0.23 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1h67 h GLN 121 Cb 0.32 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 1h67 h GLN 121 CO -0.33 0.31 0.52 0.66 -1.93 0.00 0.00 178.83 178.05 1h67 h SER 122 N -0.04 1.12 -0.65 -0.69 4.64 -1.42 -2.79 113.55 113.71 1h67 h SER 122 Ca 0.03 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1h67 h SER 122 Cb 0.23 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 61.98 1h67 h SER 122 CO -0.00 0.88 0.36 0.74 -0.87 0.00 0.00 176.83 177.94 1h67 h THR 123 N 1.26 0.97 -0.98 2.95 2.02 -0.70 -1.44 112.91 116.99 1h67 h THR 123 Ca 0.32 -0.23 0.15 0.00 0.77 0.00 0.00 66.41 67.42 1h67 h THR 123 Cb -0.00 0.25 -0.09 0.00 -1.74 0.00 0.00 68.15 66.57 1h67 h THR 123 CO -0.05 0.12 0.62 -0.07 0.37 0.00 0.00 175.52 176.50 1h67 h LEU 124 N 0.66 0.82 -0.56 2.58 3.38 -1.33 -0.66 115.31 120.20 1h67 h LEU 124 Ca 0.29 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.36 1h67 h LEU 124 Cb 0.18 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1h67 h LEU 124 CO -0.18 0.40 0.30 0.40 0.09 0.00 0.00 178.44 179.45 1h67 h ILE 125 N 0.86 0.97 -0.21 1.22 1.08 -1.26 -2.13 117.51 118.03 1h67 h ILE 125 Ca 0.51 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.77 1h67 h ILE 125 Cb 0.66 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1h67 h ILE 125 CO -0.28 0.11 0.07 0.00 -0.69 0.00 0.00 178.15 177.35 1h67 h ALA 126 N 1.29 0.28 -0.72 1.87 0.00 -1.04 -2.77 119.26 118.17 1h67 h ALA 126 Ca 0.25 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1h67 h ALA 126 Cb 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1h67 h ALA 126 CO -0.16 -0.10 0.49 1.25 0.00 0.00 0.00 179.25 180.73 1h67 h LEU 127 N 0.17 0.35 -1.09 0.00 5.85 -1.03 -0.35 115.31 119.21 1h67 h LEU 127 Ca 0.07 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1h67 h LEU 127 Cb 0.23 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1h67 h LEU 127 CO -0.00 0.19 0.62 0.00 -0.34 0.00 0.00 178.44 178.90 1h67 h ALA 128 N 1.66 1.49 -0.87 1.25 0.00 -1.09 -1.06 119.26 120.63 1h67 h ALA 128 Ca 0.35 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.32 1h67 h ALA 128 Cb 0.84 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1h67 h ALA 128 CO -0.10 0.36 0.57 1.03 0.00 0.00 0.00 179.25 181.10 1h67 h SER 129 N 1.07 0.83 0.41 0.00 0.87 -1.10 -0.06 113.55 115.57 1h67 h SER 129 Ca 0.42 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 1h67 h SER 129 Cb 0.24 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1h67 h SER 129 CO -0.17 0.52 -0.20 1.56 -0.53 0.00 0.00 176.83 178.01 1h67 h GLN 130 N 0.93 -0.54 -0.33 2.24 7.50 -1.26 -3.10 115.11 120.55 1h67 h GLN 130 Ca 0.39 0.04 0.07 0.00 0.50 0.00 0.00 58.65 59.64 1h67 h GLN 130 Cb 0.29 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.92 1h67 h GLN 130 CO -0.15 -0.23 0.23 0.00 -1.50 0.00 0.00 178.83 177.18 1h67 h ALA 131 N -0.51 2.12 0.29 3.87 0.00 -1.21 -1.85 119.26 121.97 1h67 h ALA 131 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1h67 h ALA 131 Cb 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1h67 h ALA 131 CO 0.09 -0.20 -0.29 -0.22 0.00 0.00 0.00 179.25 178.63 1h67 h LYS 132 N 0.15 -0.59 -0.24 0.00 3.64 -0.94 -3.09 116.57 115.50 1h67 h LYS 132 Ca 0.15 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1h67 h LYS 132 Cb 0.41 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1h67 h LYS 132 CO -0.02 -0.39 -0.23 0.00 -2.27 0.00 0.00 179.45 176.53 1h67 h THR 133 N -0.61 1.31 0.00 1.00 1.03 -1.43 -3.52 112.91 110.70 1h67 h THR 133 Ca -0.01 -1.39 0.00 0.00 -0.01 0.00 0.00 66.41 65.00 1h67 h THR 133 Cb 0.56 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 69.31 1h67 h THR 133 CO -0.06 0.43 0.00 0.29 -0.01 0.00 0.00 175.52 176.18