#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h67 h PRO 28 N 0.00 0.42 0.00 2.12 0.11 -2.03 -3.48 132.00 129.13 1h67 h PRO 28 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1h67 h PRO 28 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1h67 h PRO 28 CO 0.00 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.07 1h67 n GLN 29 N -4.91 0.00 0.00 1.05 -0.00 -1.26 -5.05 117.38 107.21 1h67 n GLN 29 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.02 1h67 n GLN 29 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.35 1h67 n GLN 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1h67 n THR 30 N 0.00 0.00 0.00 -0.39 -1.04 -1.26 -5.04 114.28 106.55 1h67 n THR 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1h67 n THR 30 Cb 0.00 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1h67 n THR 30 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1h67 n GLU 31 N -2.23 0.00 -0.17 -2.82 -0.00 -1.26 -4.84 120.64 109.32 1h67 n GLU 31 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 57.12 1h67 n GLU 31 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 31.44 31.50 1h67 n GLU 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1h67 h ARG 32 N 0.00 0.46 -0.16 3.44 2.43 -2.02 -1.95 114.38 116.59 1h67 h ARG 32 Ca 0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1h67 h ARG 32 Cb 0.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1h67 h ARG 32 CO 0.00 0.30 -0.41 0.37 -1.51 0.00 0.00 179.97 178.72 1h67 h GLN 33 N 0.47 0.36 -0.74 0.20 5.75 -1.96 -3.17 115.11 116.02 1h67 h GLN 33 Ca 0.24 -0.17 0.15 0.00 -0.15 0.00 0.00 58.65 58.71 1h67 h GLN 33 Cb 0.18 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.63 1h67 h GLN 33 CO -0.19 0.71 0.25 -0.07 -2.65 0.00 0.00 178.83 176.89 1h67 h LEU 34 N 0.30 0.18 0.13 -2.39 3.38 -1.72 0.12 115.31 115.31 1h67 h LEU 34 Ca 0.03 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1h67 h LEU 34 Cb 0.85 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1h67 h LEU 34 CO 0.07 0.05 -0.06 -0.09 0.09 0.00 0.00 178.44 178.50 1h67 h ARG 35 N 0.37 -0.17 -0.75 1.13 2.43 -1.51 -1.98 114.38 113.91 1h67 h ARG 35 Ca 0.41 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.53 1h67 h ARG 35 Cb 0.65 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1h67 h ARG 35 CO -0.44 -0.09 0.25 0.28 -1.51 0.00 0.00 179.97 178.47 1h67 h VAL 36 N -0.20 1.26 0.00 0.20 2.07 -1.49 -2.11 116.25 115.99 1h67 h VAL 36 Ca -0.02 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1h67 h VAL 36 Cb 0.16 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1h67 h VAL 36 CO 0.03 0.36 0.00 1.87 0.02 0.00 0.00 177.57 179.85 1h67 n TRP 37 N -4.26 0.00 0.11 1.57 -0.00 0.36 -0.53 117.44 114.69 1h67 n TRP 37 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.44 1h67 n TRP 37 Cb 0.22 -0.43 -0.06 0.00 -0.00 0.00 0.00 31.31 31.04 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 0.62 -0.53 5.87 2.04 -1.47 0.19 117.51 124.23 1h67 h ILE 38 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1h67 h ILE 38 Cb 0.00 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1h67 h ILE 38 CO 0.00 0.00 0.26 -0.33 0.00 0.00 0.00 178.15 178.08 1h67 h GLU 39 N -0.34 0.75 -0.27 2.37 5.08 -1.52 -2.64 114.58 118.01 1h67 h GLU 39 Ca 0.02 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1h67 h GLU 39 Cb 0.35 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1h67 h GLU 39 CO -0.08 0.61 -0.08 0.78 -1.00 0.00 0.00 179.01 179.24 1h67 h GLY 40 N 0.70 0.46 0.15 -3.84 0.00 -0.61 0.40 103.07 100.34 1h67 h GLY 40 Ca 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1h67 h GLY 40 CO -0.03 0.27 -0.16 0.00 0.00 0.00 0.00 176.54 176.63 1h67 h ALA 41 N 1.52 -0.87 0.00 3.60 0.00 -0.24 -3.38 119.26 119.88 1h67 h ALA 41 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h67 h ALA 41 Cb 0.40 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1h67 h ALA 41 CO 0.02 -0.88 -0.14 1.79 0.00 0.00 0.00 179.25 180.04 1h67 h THR 42 N -0.31 0.00 0.00 0.00 1.35 -1.60 -3.50 112.91 108.85 1h67 h THR 42 Ca -0.02 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1h67 h THR 42 Cb 0.27 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 1h67 h THR 42 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 1h67 n GLY 43 N 1.77 1.06 3.71 5.82 0.00 0.13 -5.11 105.19 112.56 1h67 n GLY 43 Ca -0.02 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 2.51 -0.82 1.61 5.12 -1.25 -4.84 116.66 119.00 1h67 n ARG 44 Ca 0.00 0.90 -0.16 0.00 -1.93 0.00 0.00 57.85 56.66 1h67 n ARG 44 Cb 0.00 -2.69 0.06 0.00 -1.16 0.00 0.00 32.46 28.67 1h67 n ARG 44 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1h67 n ARG 45 N 3.22 1.79 0.00 5.56 5.12 -1.26 -4.22 116.66 126.87 1h67 n ARG 45 Ca 0.14 -1.65 0.00 0.00 -1.93 0.00 0.00 57.85 54.41 1h67 n ARG 45 Cb 0.33 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 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 0.01 0.00 0.00 0.55 2.08 -1.26 -4.77 119.36 115.97 1h67 n ILE 46 Ca 0.32 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.63 1h67 n ILE 46 Cb 0.79 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.68 1h67 n ILE 46 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1h67 n GLY 47 N 0.00 -0.34 0.08 7.39 0.00 -1.26 -4.80 105.19 106.27 1h67 n GLY 47 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1h67 n GLY 47 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h67 h ASP 48 N 0.00 -0.06 -3.56 1.61 3.32 -1.99 -3.45 116.42 112.29 1h67 h ASP 48 Ca 0.00 -0.60 -0.68 0.00 0.02 0.00 0.00 57.03 55.76 1h67 h ASP 48 Cb 0.00 0.01 -0.17 0.00 0.22 0.00 0.00 39.33 39.39 1h67 h ASP 48 CO 0.00 0.65 -0.68 0.20 -1.72 0.00 0.00 179.24 177.69 1h67 s ASN 49 N -5.81 4.81 0.07 6.45 -0.87 -1.26 -5.04 114.94 113.28 1h67 s ASN 49 Ca -0.15 -0.00 -0.25 0.00 -1.57 0.00 0.00 52.86 50.89 1h67 s ASN 49 Cb -0.01 -1.23 -0.16 0.00 -0.02 0.00 0.00 41.25 39.83 1h67 s ASN 49 CO 0.57 0.35 1.62 0.15 -2.57 0.00 0.00 177.10 177.22 1h67 h PHE 50 N 5.06 -0.16 0.21 2.20 3.57 -1.98 0.44 116.94 126.29 1h67 h PHE 50 Ca -0.49 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 60.99 1h67 h PHE 50 Cb 1.18 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1h67 h PHE 50 CO 0.59 -0.03 -0.10 0.52 -2.23 0.00 0.00 178.31 177.06 1h67 h MET 51 N -0.26 -0.27 -0.94 1.11 2.86 -1.98 -2.88 114.93 112.57 1h67 h MET 51 Ca -0.02 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 1h67 h MET 51 Cb 0.21 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.85 1h67 h MET 51 CO 0.03 0.11 0.60 0.22 1.06 0.00 0.00 176.91 178.93 1h67 h ASP 52 N -0.79 0.58 -0.32 1.22 3.58 -1.90 -1.13 116.42 117.65 1h67 h ASP 52 Ca -0.03 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 1h67 h ASP 52 Cb 0.51 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1h67 h ASP 52 CO 0.05 0.24 0.02 1.23 -2.88 0.00 0.00 179.24 177.89 1h67 h GLY 53 N 0.58 0.60 2.00 -0.78 0.00 -0.89 -2.90 103.07 101.68 1h67 h GLY 53 Ca 0.50 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1h67 h GLY 53 CO -0.24 0.40 -0.03 1.41 0.00 0.00 0.00 176.54 178.07 1h67 h LEU 54 N 0.37 0.00 -0.78 3.11 3.38 -0.99 -3.04 115.31 117.36 1h67 h LEU 54 Ca 0.09 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1h67 h LEU 54 Cb 0.41 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 1h67 h LEU 54 CO 0.01 0.03 0.20 0.11 0.09 0.00 0.00 178.44 178.89 1h67 h LYS 55 N 0.00 0.26 -1.01 1.13 1.57 -1.24 -1.20 116.57 116.09 1h67 h LYS 55 Ca -0.00 -0.02 0.23 0.00 -1.87 0.00 0.00 60.65 58.99 1h67 h LYS 55 Cb 0.07 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.21 1h67 h LYS 55 CO 0.00 0.17 0.62 0.38 -0.57 0.00 0.00 179.45 180.05 1h67 h ASP 56 N 0.27 0.66 -4.09 0.86 2.03 -1.70 -3.42 116.42 111.02 1h67 h ASP 56 Ca 0.45 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 1h67 h ASP 56 Cb 0.81 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.31 1h67 h ASP 56 CO -0.55 0.17 -0.05 0.61 -1.03 0.00 0.00 179.24 178.39 1h67 n GLY 57 N -1.36 -0.80 2.05 7.15 0.00 -0.45 -4.17 105.19 107.61 1h67 n GLY 57 Ca 0.25 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.13 0.00 -0.07 1.61 0.31 -1.26 -4.62 118.33 113.16 1h67 n VAL 58 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 1h67 n VAL 58 Cb 0.43 -0.22 -0.03 0.00 -0.91 0.00 0.00 33.84 33.11 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 1.14 -0.34 2.52 2.04 -1.93 0.22 117.51 121.15 1h67 h ILE 59 Ca 0.00 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1h67 h ILE 59 Cb 0.00 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1h67 h ILE 59 CO 0.00 0.13 0.11 -0.07 0.00 0.00 0.00 178.15 178.33 1h67 h LEU 60 N 0.25 0.49 -1.07 1.44 3.38 -1.92 0.67 115.31 118.55 1h67 h LEU 60 Ca 0.08 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1h67 h LEU 60 Cb 0.11 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1h67 h LEU 60 CO -0.01 0.56 0.63 0.00 0.09 0.00 0.00 178.44 179.70 1h67 h GLU 62 N 1.20 0.87 -0.06 0.00 4.39 -0.07 -2.78 114.58 118.13 1h67 h GLU 62 Ca 0.39 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1h67 h GLU 62 Cb 0.03 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1h67 h GLU 62 CO -0.12 0.91 -0.02 1.25 -1.16 0.00 0.00 179.01 179.87 1h67 h LEU 63 N 0.79 0.13 -1.36 1.33 5.85 0.32 -3.17 115.31 119.20 1h67 h LEU 63 Ca 0.14 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1h67 h LEU 63 Cb 0.58 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1h67 h LEU 63 CO 0.04 0.49 0.45 -0.29 -0.34 0.00 0.00 178.44 178.79 1h67 h ILE 64 N -0.24 1.11 -0.40 4.05 6.09 -1.06 -0.48 117.51 126.58 1h67 h ILE 64 Ca 0.01 -0.29 0.11 0.00 -1.37 0.00 0.00 64.86 63.33 1h67 h ILE 64 Cb 0.44 0.20 -0.02 0.00 0.47 0.00 0.00 36.82 37.91 1h67 h ILE 64 CO 0.01 0.15 0.35 0.78 -3.07 0.00 0.00 178.15 176.37 1h67 h ASN 65 N 0.85 0.00 0.20 2.19 2.35 -1.46 0.78 115.58 120.48 1h67 h ASN 65 Ca 0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1h67 h ASN 65 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1h67 h ASN 65 CO -0.07 0.00 -0.09 0.11 -1.65 0.00 0.00 177.43 175.72 1h67 h LYS 66 N 0.00 -0.25 0.17 0.81 1.79 -1.14 -3.36 116.57 114.58 1h67 h LYS 66 Ca 0.19 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 1h67 h LYS 66 Cb 0.88 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1h67 h LYS 66 CO -0.00 0.12 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.34 1h67 h LEU 67 N -0.71 -0.19 -8.60 2.94 3.38 -1.28 -3.43 115.31 107.43 1h67 h LEU 67 Ca -0.03 -0.18 -0.68 0.00 0.09 0.00 0.00 57.88 57.08 1h67 h LEU 67 Cb 0.49 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.12 1h67 h LEU 67 CO 0.04 0.35 -0.14 -1.58 0.09 0.00 0.00 178.44 177.20 1h67 s GLN 68 N -2.64 3.25 0.19 1.13 0.74 0.26 -5.04 119.66 117.56 1h67 s GLN 68 Ca -0.08 -0.57 -0.33 0.00 0.05 0.00 0.00 55.36 54.43 1h67 s GLN 68 Cb 0.00 -3.92 -0.14 0.00 1.10 0.00 0.00 33.01 30.05 1h67 s GLN 68 CO 0.26 -0.81 1.52 -2.30 -0.55 0.00 0.00 175.29 173.42 1h67 n PRO 69 N 5.70 2.11 -3.67 1.67 -0.02 -1.26 -2.85 135.00 136.68 1h67 n PRO 69 Ca -0.06 0.76 -0.22 0.00 -2.02 0.00 0.00 63.50 61.96 1h67 n PRO 69 Cb 0.48 -2.49 0.04 0.00 -0.02 0.00 0.00 33.50 31.51 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 2.97 -0.33 0.15 -1.23 0.00 -1.26 -4.92 105.19 100.57 1h67 n GLY 70 Ca 0.15 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.92 0.53 -3.46 1.61 0.02 -1.82 -3.45 113.55 105.05 1h67 h SER 71 Ca -0.60 -0.71 -0.25 0.00 -0.84 0.00 0.00 61.79 59.39 1h67 h SER 71 Cb 1.36 -0.16 -0.32 0.00 0.14 0.00 0.00 62.40 63.42 1h67 h SER 71 CO 0.56 1.16 -0.61 -0.69 -1.14 0.00 0.00 176.83 176.11 1h67 s VAL 72 N -3.42 -0.05 0.00 2.27 1.01 -1.26 -4.78 120.40 114.17 1h67 s VAL 72 Ca -0.13 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1h67 s VAL 72 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1h67 s VAL 72 CO 0.81 0.07 0.00 1.67 0.00 0.00 0.00 175.10 177.66 1h67 n GLN 73 N 4.14 1.31 -2.32 2.72 7.27 -1.26 -4.85 117.38 124.40 1h67 n GLN 73 Ca -0.26 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.39 1h67 n GLN 73 Cb 0.52 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.14 1h67 n GLN 73 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1h67 s LYS 74 N 0.00 4.26 -0.00 3.69 -2.85 -1.26 -4.99 119.74 118.59 1h67 s LYS 74 Ca 0.00 1.82 -0.30 0.00 -1.00 0.00 0.00 55.97 56.49 1h67 s LYS 74 Cb 0.00 -3.71 -0.03 0.00 -2.06 0.00 0.00 37.83 32.03 1h67 s LYS 74 CO 0.00 -0.65 0.98 0.14 0.10 0.00 0.00 175.35 175.92 1h67 s VAL 75 N 3.06 4.87 0.14 1.79 -7.23 -1.26 -5.01 120.40 116.76 1h67 s VAL 75 Ca 0.60 2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 62.52 1h67 s VAL 75 Cb -0.26 -4.32 -0.07 0.00 0.56 0.00 0.00 36.38 32.28 1h67 s VAL 75 CO 0.21 0.16 1.25 0.20 -0.31 0.00 0.00 175.10 176.61 1h67 s ASN 76 N 1.01 7.01 0.14 4.85 0.01 -1.26 -4.96 114.94 121.73 1h67 s ASN 76 Ca 0.52 2.21 -0.31 0.00 -0.71 0.00 0.00 52.86 54.57 1h67 s ASN 76 Cb -0.21 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.76 1h67 s ASN 76 CO 0.28 -0.47 1.65 -1.81 -1.51 0.00 0.00 177.10 175.24 1h67 s ASP 77 N 0.59 6.54 -0.15 -1.22 1.01 -1.26 -4.79 116.67 117.39 1h67 s ASP 77 Ca 0.57 2.64 -0.29 0.00 0.71 0.00 0.00 52.55 56.18 1h67 s ASP 77 Cb -0.33 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 40.98 1h67 s ASP 77 CO 0.34 -0.89 1.64 -2.16 0.21 0.00 0.00 175.17 174.30 1h67 s PRO 78 N 1.78 3.95 0.21 8.23 0.04 -1.26 -4.64 135.00 143.31 1h67 s PRO 78 Ca 0.73 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1h67 s PRO 78 Cb -0.44 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1h67 s PRO 78 CO 0.32 -1.12 0.00 0.28 0.04 0.00 0.00 177.00 176.53 1h67 n VAL 79 N 6.03 0.00 0.00 -0.36 0.31 -1.26 -5.09 118.33 117.97 1h67 n VAL 79 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1h67 n VAL 79 Cb 0.44 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 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 -2.98 0.00 0.00 5.55 1.13 -1.26 -5.06 117.38 114.75 1h67 n GLN 80 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1h67 n GLN 80 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1h67 n GLN 80 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1h67 n ASN 81 N 0.00 0.15 0.24 1.08 4.13 -1.26 -4.84 115.26 114.75 1h67 n ASN 81 Ca 0.00 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.38 1h67 n ASN 81 Cb 0.00 0.00 0.44 0.00 -1.54 0.00 0.00 39.78 38.68 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 -0.25 3.10 5.08 -1.99 -3.23 115.95 118.66 1h67 h TRP 82 Ca 0.00 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.01 1h67 h TRP 82 Cb 0.09 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.21 1h67 h TRP 82 CO 0.00 0.12 -0.02 0.45 -1.28 0.00 0.00 178.44 177.70 1h67 h HIS 83 N 0.00 -0.05 -0.19 0.12 3.86 -1.92 -0.13 115.15 116.84 1h67 h HIS 83 Ca -0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1h67 h HIS 83 Cb 0.77 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1h67 h HIS 83 CO 0.00 -0.06 0.09 0.87 0.86 0.00 0.00 177.93 179.69 1h67 h LYS 84 N 0.05 0.27 -0.25 2.45 1.57 -1.72 -2.65 116.57 116.29 1h67 h LYS 84 Ca 0.12 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1h67 h LYS 84 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1h67 h LYS 84 CO -0.22 0.30 0.17 -0.07 -0.57 0.00 0.00 179.45 179.06 1h67 h LEU 85 N 0.17 0.14 0.48 2.94 3.38 -1.54 -1.38 115.31 119.50 1h67 h LEU 85 Ca 0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1h67 h LEU 85 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1h67 h LEU 85 CO -0.01 0.10 -0.24 -0.08 0.09 0.00 0.00 178.44 178.30 1h67 h GLU 86 N 0.16 -0.63 -0.34 1.13 4.57 -0.65 -0.77 114.58 118.05 1h67 h GLU 86 Ca 0.11 0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.23 1h67 h GLU 86 Cb 0.23 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1h67 h GLU 86 CO -0.02 -0.42 -0.23 -0.91 -1.18 0.00 0.00 179.01 176.25 1h67 h ASN 87 N -0.65 0.68 -0.70 1.04 2.35 -1.47 -2.91 115.58 113.92 1h67 h ASN 87 Ca -0.06 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1h67 h ASN 87 Cb 0.51 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 1h67 h ASN 87 CO 0.10 0.89 0.45 0.40 -1.65 0.00 0.00 177.43 177.62 1h67 h ILE 88 N 0.59 1.12 -0.50 2.81 2.04 -1.08 -0.04 117.51 122.45 1h67 h ILE 88 Ca 0.08 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1h67 h ILE 88 Cb 0.70 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1h67 h ILE 88 CO 0.05 0.16 0.22 1.23 0.00 0.00 0.00 178.15 179.82 1h67 h GLY 89 N 0.89 0.79 0.98 5.37 0.00 -0.99 -1.28 103.07 108.83 1h67 h GLY 89 Ca 0.27 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1h67 h GLY 89 CO -0.09 0.38 0.08 3.43 0.00 0.00 0.00 176.54 180.34 1h67 h ASN 90 N 0.67 0.78 0.11 0.19 2.35 -1.28 -0.09 115.58 118.31 1h67 h ASN 90 Ca 0.17 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1h67 h ASN 90 Cb 0.15 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1h67 h ASN 90 CO -0.02 0.84 -0.05 0.15 -1.65 0.00 0.00 177.43 176.70 1h67 h PHE 91 N 0.69 -0.13 -0.35 1.19 3.57 -0.85 -0.20 116.94 120.87 1h67 h PHE 91 Ca 0.15 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1h67 h PHE 91 Cb 0.39 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1h67 h PHE 91 CO 0.03 -0.02 0.08 -0.07 -2.23 0.00 0.00 178.31 176.10 1h67 h LEU 92 N -0.21 0.53 -1.32 0.59 3.38 -1.21 -0.75 115.31 116.33 1h67 h LEU 92 Ca -0.01 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1h67 h LEU 92 Cb 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1h67 h LEU 92 CO 0.02 0.63 0.48 -0.09 0.09 0.00 0.00 178.44 179.57 1h67 h ARG 93 N 0.41 0.87 -0.23 1.13 9.65 -0.94 0.24 114.38 125.51 1h67 h ARG 93 Ca 0.11 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 1h67 h ARG 93 Cb 0.30 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1h67 h ARG 93 CO 0.00 0.57 -0.27 0.00 2.80 0.00 0.00 179.97 183.08 1h67 h ALA 94 N 1.57 0.34 -0.29 2.80 0.00 -0.68 -2.42 119.26 120.58 1h67 h ALA 94 Ca 0.29 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1h67 h ALA 94 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1h67 h ALA 94 CO -0.08 0.33 -0.55 -0.84 0.00 0.00 0.00 179.25 178.11 1h67 h ILE 95 N 0.27 1.27 -0.98 0.00 3.07 -0.62 0.43 117.51 120.95 1h67 h ILE 95 Ca 0.03 -1.73 0.00 0.00 1.55 0.00 0.00 64.86 64.72 1h67 h ILE 95 Cb 0.83 1.62 -0.05 0.00 -0.27 0.00 0.00 36.82 38.95 1h67 h ILE 95 CO 0.06 0.57 0.63 0.11 -1.05 0.00 0.00 178.15 178.47 1h67 h LYS 96 N 0.68 1.31 0.13 0.16 1.57 -0.59 -2.30 116.57 117.53 1h67 h LYS 96 Ca 0.01 -0.09 -0.28 0.00 -1.87 0.00 0.00 60.65 58.43 1h67 h LYS 96 Cb 1.16 -0.29 0.01 0.00 0.08 0.00 0.00 32.23 33.19 1h67 h LYS 96 CO 0.12 0.88 -1.24 1.25 -0.57 0.00 0.00 179.45 179.90 1h67 h HIS 97 N 1.34 0.54 -0.78 -1.35 2.76 -1.37 -3.31 115.15 112.99 1h67 h HIS 97 Ca 0.36 -0.38 0.15 0.00 -2.20 0.00 0.00 60.37 58.29 1h67 h HIS 97 Cb -0.12 -0.02 -0.10 0.00 1.55 0.00 0.00 27.41 28.72 1h67 h HIS 97 CO 0.00 1.29 0.32 -0.92 -1.30 0.00 0.00 177.93 177.32 1h67 h TYR 98 N 0.09 0.55 0.00 5.26 3.20 0.39 -3.45 116.97 123.01 1h67 h TYR 98 Ca -0.14 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1h67 h TYR 98 Cb 1.96 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.11 1h67 h TYR 98 CO 0.07 0.07 0.00 0.41 -1.64 0.00 0.00 178.16 177.07 1h67 n GLY 99 N -1.33 1.17 3.67 1.82 0.00 -0.94 -5.07 105.19 104.51 1h67 n GLY 99 Ca 0.15 -0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 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 0.03 -2.46 1.61 0.31 -1.09 -4.94 118.33 111.79 1h67 n VAL 100 Ca 0.00 -0.01 -0.37 0.00 -0.01 0.00 0.00 64.34 63.95 1h67 n VAL 100 Cb 0.00 -1.56 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 1h67 n VAL 100 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1h67 s LYS 101 N 1.09 4.12 0.37 5.55 -2.85 -1.26 -4.15 119.74 122.62 1h67 s LYS 101 Ca 0.79 1.62 0.11 0.00 -1.00 0.00 0.00 55.97 57.50 1h67 s LYS 101 Cb -0.68 -2.59 0.88 0.00 -2.06 0.00 0.00 37.83 33.39 1h67 s LYS 101 CO 0.38 -0.20 1.87 -1.00 0.10 0.00 0.00 175.35 176.50 1h67 h PRO 102 N 2.55 0.60 -0.48 1.78 0.13 -1.90 -0.25 132.00 134.41 1h67 h PRO 102 Ca -0.48 -0.04 0.14 0.00 -0.87 0.00 0.00 66.00 64.75 1h67 h PRO 102 Cb 1.22 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1h67 h PRO 102 CO 0.62 0.39 0.43 1.25 -0.23 0.00 0.00 178.00 180.46 1h67 h HIS 103 N 0.61 0.00 -0.82 1.56 2.76 -2.02 0.15 115.15 117.40 1h67 h HIS 103 Ca 0.44 0.00 -0.58 0.00 -2.20 0.00 0.00 60.37 58.03 1h67 h HIS 103 Cb 0.80 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 29.36 1h67 h HIS 103 CO -0.00 0.00 -0.40 -0.25 -1.30 0.00 0.00 177.93 175.98 1h67 n ASP 104 N -3.99 5.61 -3.73 3.26 8.00 -0.11 -4.97 116.55 120.62 1h67 n ASP 104 Ca 0.09 -3.76 -0.13 0.00 0.71 0.00 0.00 54.79 51.70 1h67 n ASP 104 Cb 0.63 -0.50 -0.14 0.00 -0.02 0.00 0.00 41.12 41.10 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 -4.66 -0.06 0.32 0.53 1.01 0.54 -4.07 121.20 114.81 1h67 s ILE 105 Ca 0.54 0.17 -0.27 0.00 0.00 0.00 0.00 60.65 61.09 1h67 s ILE 105 Cb 0.43 -0.33 -0.10 0.00 0.01 0.00 0.00 42.46 42.48 1h67 s ILE 105 CO 0.03 0.07 0.99 0.72 0.00 0.00 0.00 174.94 176.74 1h67 s PHE 106 N 1.28 3.64 0.50 3.97 -0.12 -1.26 -4.90 117.98 121.08 1h67 s PHE 106 Ca -0.09 1.77 -0.11 0.00 -0.05 0.00 0.00 56.93 58.45 1h67 s PHE 106 Cb -0.11 -3.02 -0.06 0.00 -0.63 0.00 0.00 43.02 39.20 1h67 s PHE 106 CO -0.08 -0.02 0.90 -1.21 -0.05 0.00 0.00 175.22 174.76 1h67 s GLU 107 N -1.92 3.73 0.62 1.99 2.02 -1.26 -4.91 118.70 118.97 1h67 s GLU 107 Ca 0.49 0.62 0.27 0.00 0.02 0.00 0.00 54.97 56.38 1h67 s GLU 107 Cb -0.22 -2.24 1.40 0.00 0.10 0.00 0.00 34.13 33.17 1h67 s GLU 107 CO 0.28 -0.27 1.81 0.00 0.02 0.00 0.00 175.26 177.11 1h67 h ALA 108 N 0.57 1.94 0.19 5.21 0.00 -1.96 0.27 119.26 125.47 1h67 h ALA 108 Ca -0.46 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.11 1h67 h ALA 108 Cb 1.19 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1h67 h ALA 108 CO 0.62 -0.67 -1.54 -0.91 0.00 0.00 0.00 179.25 176.75 1h67 h ASN 109 N 0.00 0.63 -0.10 0.00 2.35 -1.98 -2.91 115.58 113.56 1h67 h ASN 109 Ca 0.15 -0.77 0.02 0.00 -0.55 0.00 0.00 56.30 55.15 1h67 h ASN 109 Cb 1.17 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 1h67 h ASN 109 CO -0.00 1.63 -0.04 0.44 -1.65 0.00 0.00 177.43 177.80 1h67 h ASP 110 N 0.11 -0.14 -0.09 5.81 3.32 -0.83 0.25 116.42 124.86 1h67 h ASP 110 Ca -0.26 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.78 1h67 h ASP 110 Cb 2.09 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.72 1h67 h ASP 110 CO 0.22 -0.06 -0.14 0.25 -1.72 0.00 0.00 179.24 177.79 1h67 h LEU 111 N -0.03 0.27 -0.45 1.55 5.85 -1.66 0.70 115.31 121.54 1h67 h LEU 111 Ca 0.05 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1h67 h LEU 111 Cb 0.11 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1h67 h LEU 111 CO -0.12 0.76 0.30 0.15 -0.34 0.00 0.00 178.44 179.19 1h67 h PHE 112 N -0.21 0.58 0.00 1.25 3.57 -1.44 -2.09 116.94 118.59 1h67 h PHE 112 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1h67 h PHE 112 Cb 0.71 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1h67 h PHE 112 CO 0.11 0.37 0.00 0.93 -2.23 0.00 0.00 178.31 177.49 1h67 h GLU 113 N 0.61 0.00 -3.25 1.11 5.08 -0.57 -3.47 114.58 114.10 1h67 h GLU 113 Ca 0.17 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.21 1h67 h GLU 113 Cb -0.06 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.22 1h67 h GLU 113 CO -0.04 0.00 -0.46 0.09 -1.00 0.00 0.00 179.01 177.60 1h67 n ASN 114 N -3.02 -5.07 -0.10 1.42 4.13 0.16 -4.93 115.26 107.85 1h67 n ASN 114 Ca 0.04 -0.17 -0.21 0.00 1.68 0.00 0.00 54.58 55.92 1h67 n ASN 114 Cb 0.48 -3.99 -0.12 0.00 -1.54 0.00 0.00 39.78 34.61 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 -0.79 0.98 -1.33 3.41 1.35 -1.61 -3.40 112.91 111.52 1h67 h THR 115 Ca -0.41 -2.20 -0.75 0.00 -0.55 0.00 0.00 66.41 62.50 1h67 h THR 115 Cb 1.29 2.32 -0.15 0.00 -1.73 0.00 0.00 68.15 69.88 1h67 h THR 115 CO 0.45 0.35 2.20 0.59 -0.25 0.00 0.00 175.52 178.85 1h67 n ASN 116 N -4.43 7.95 -0.08 5.36 4.13 -1.23 -4.76 115.26 122.21 1h67 n ASN 116 Ca -0.30 -3.23 -0.07 0.00 1.68 0.00 0.00 54.58 52.66 1h67 n ASN 116 Cb 0.67 -1.33 -0.01 0.00 -1.54 0.00 0.00 39.78 37.58 1h67 n ASN 116 CO 0.00 0.00 0.00 0.45 0.28 0.00 0.00 177.26 177.99 1h67 h HIS 117 N 4.53 -0.20 -0.72 3.10 3.86 -1.84 -1.81 115.15 122.06 1h67 h HIS 117 Ca 0.68 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.94 1h67 h HIS 117 Cb 0.30 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 1h67 h HIS 117 CO 1.57 -0.15 0.47 1.79 0.86 0.00 0.00 177.93 182.46 1h67 h THR 118 N -0.03 1.15 -0.83 2.45 1.35 -1.98 -2.26 112.91 112.77 1h67 h THR 118 Ca 0.15 -0.32 0.08 0.00 -0.55 0.00 0.00 66.41 65.76 1h67 h THR 118 Cb 0.25 0.13 -0.07 0.00 -1.73 0.00 0.00 68.15 66.73 1h67 h THR 118 CO -0.32 0.17 0.49 -0.61 -0.25 0.00 0.00 175.52 175.01 1h67 h GLN 119 N 0.93 0.84 -0.57 4.72 5.75 -1.76 -1.24 115.11 123.78 1h67 h GLN 119 Ca 0.28 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1h67 h GLN 119 Cb -0.05 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.28 1h67 h GLN 119 CO -0.08 0.56 0.31 0.28 -2.65 0.00 0.00 178.83 177.24 1h67 h VAL 120 N 0.87 1.19 -0.28 2.39 2.07 -0.78 -0.57 116.25 121.14 1h67 h VAL 120 Ca 0.38 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1h67 h VAL 120 Cb 0.26 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1h67 h VAL 120 CO -0.21 0.21 0.17 -0.61 0.02 0.00 0.00 177.57 177.16 1h67 h GLN 121 N 0.77 0.37 -0.60 1.57 4.15 -0.93 -2.77 115.11 117.67 1h67 h GLN 121 Ca 0.20 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 1h67 h GLN 121 Cb 0.06 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1h67 h GLN 121 CO -0.03 0.27 0.08 1.03 -1.93 0.00 0.00 178.83 178.25 1h67 h SER 122 N 0.36 0.95 -0.49 -0.69 0.87 -1.06 -3.06 113.55 110.43 1h67 h SER 122 Ca 0.10 -0.22 0.08 0.00 -1.23 0.00 0.00 61.79 60.51 1h67 h SER 122 Cb -0.01 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 61.63 1h67 h SER 122 CO -0.02 0.96 0.14 0.74 -0.53 0.00 0.00 176.83 178.12 1h67 h THR 123 N 0.93 0.78 -0.71 2.23 2.02 -0.83 -1.65 112.91 115.69 1h67 h THR 123 Ca 0.18 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.29 1h67 h THR 123 Cb 0.43 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1h67 h THR 123 CO 0.01 0.05 0.45 -0.07 0.37 0.00 0.00 175.52 176.34 1h67 h LEU 124 N 0.30 0.76 -0.64 2.58 3.38 -1.41 -1.71 115.31 118.56 1h67 h LEU 124 Ca 0.24 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1h67 h LEU 124 Cb 0.29 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1h67 h LEU 124 CO -0.28 0.53 0.42 0.40 0.09 0.00 0.00 178.44 179.60 1h67 h ILE 125 N 0.90 1.13 -0.43 1.22 2.04 -1.31 -1.38 117.51 119.67 1h67 h ILE 125 Ca 0.28 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1h67 h ILE 125 Cb -0.02 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1h67 h ILE 125 CO -0.09 0.15 0.23 0.00 0.00 0.00 0.00 178.15 178.44 1h67 h ALA 126 N 1.25 0.56 -0.94 1.87 0.00 -0.83 -2.51 119.26 118.66 1h67 h ALA 126 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1h67 h ALA 126 Cb -0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1h67 h ALA 126 CO -0.07 0.09 0.59 1.25 0.00 0.00 0.00 179.25 181.11 1h67 h LEU 127 N 0.57 1.10 -0.79 0.00 5.85 -0.97 -2.32 115.31 118.75 1h67 h LEU 127 Ca 0.15 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1h67 h LEU 127 Cb 0.06 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1h67 h LEU 127 CO -0.02 0.82 0.52 0.00 -0.34 0.00 0.00 178.44 179.41 1h67 h ALA 128 N 1.38 1.01 -0.99 1.25 0.00 -0.90 -2.05 119.26 118.96 1h67 h ALA 128 Ca 0.34 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1h67 h ALA 128 Cb -0.10 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.33 1h67 h ALA 128 CO -0.07 0.38 0.65 1.03 0.00 0.00 0.00 179.25 181.23 1h67 h SER 129 N 1.04 1.06 -0.03 0.00 0.87 -1.00 -2.64 113.55 112.84 1h67 h SER 129 Ca 0.30 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1h67 h SER 129 Cb -0.07 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.65 1h67 h SER 129 CO -0.08 0.71 0.01 1.56 -0.53 0.00 0.00 176.83 178.51 1h67 h GLN 130 N 1.23 0.05 -1.00 2.24 1.08 -1.19 -2.29 115.11 115.22 1h67 h GLN 130 Ca 0.40 -0.01 0.22 0.00 -1.45 0.00 0.00 58.65 57.81 1h67 h GLN 130 Cb 0.05 -0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 27.36 1h67 h GLN 130 CO -0.14 0.19 0.60 0.00 -0.95 0.00 0.00 178.83 178.54 1h67 h ALA 131 N 0.85 1.73 -0.10 3.87 0.00 -1.09 0.24 119.26 124.76 1h67 h ALA 131 Ca 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1h67 h ALA 131 Cb 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1h67 h ALA 131 CO -0.00 -0.16 -0.15 0.87 0.00 0.00 0.00 179.25 179.81 1h67 h LYS 132 N 0.68 0.28 -0.15 0.00 1.57 -1.33 -3.31 116.57 114.31 1h67 h LYS 132 Ca 0.61 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 1h67 h LYS 132 Cb 1.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1h67 h LYS 132 CO -0.43 0.73 0.04 1.79 -0.57 0.00 0.00 179.45 181.02 1h67 h THR 133 N -0.15 1.19 0.00 -0.16 1.35 -0.67 -3.52 112.91 110.96 1h67 h THR 133 Ca 0.01 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1h67 h THR 133 Cb 0.71 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1h67 h THR 133 CO 0.03 0.18 0.00 0.29 -0.25 0.00 0.00 175.52 175.78