#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 3.03 0.00 3.17 -0.02 -1.26 -4.88 135.00 135.04 1h67 n PRO 28 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1h67 n PRO 28 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1h67 n PRO 28 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1h67 n GLN 29 N 0.00 0.00 -0.06 -0.52 7.27 -1.26 -4.86 117.38 117.95 1h67 n GLN 29 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 1h67 n GLN 29 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 1h67 n GLN 29 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1h67 h THR 30 N 0.00 1.19 0.00 1.69 1.35 -2.04 -3.43 112.91 111.67 1h67 h THR 30 Ca 0.00 -0.61 -0.02 0.00 -0.55 0.00 0.00 66.41 65.23 1h67 h THR 30 Cb 0.00 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 1h67 h THR 30 CO 0.00 0.19 -0.04 -1.84 -0.25 0.00 0.00 175.52 173.58 1h67 n GLU 31 N -4.80 0.02 0.00 4.72 0.28 -1.26 -5.01 120.64 114.59 1h67 n GLU 31 Ca -0.04 -0.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 1h67 n GLU 31 Cb 0.16 0.45 0.00 0.00 1.43 0.00 0.00 31.44 33.48 1h67 n GLU 31 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1h67 n ARG 32 N -0.02 0.00 -0.13 3.44 0.63 -1.26 -3.76 116.66 115.55 1h67 n ARG 32 Ca -0.04 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.00 1h67 n ARG 32 Cb 0.34 0.00 0.46 0.00 0.45 0.00 0.00 32.46 33.71 1h67 n ARG 32 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1h67 h GLN 33 N 0.00 0.50 -0.03 -0.14 4.15 -1.89 -0.91 115.11 116.79 1h67 h GLN 33 Ca 0.00 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.42 1h67 h GLN 33 Cb 0.00 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 1h67 h GLN 33 CO 0.00 0.33 -0.17 1.25 -1.93 0.00 0.00 178.83 178.31 1h67 h LEU 34 N 0.51 -0.51 -0.20 -2.39 5.85 -1.92 0.10 115.31 116.75 1h67 h LEU 34 Ca 0.31 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 59.03 1h67 h LEU 34 Cb 0.53 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1h67 h LEU 34 CO -0.10 -0.23 -0.20 -0.09 -0.34 0.00 0.00 178.44 177.48 1h67 h ARG 35 N -0.27 0.49 -0.68 1.25 2.43 -1.50 -3.07 114.38 113.03 1h67 h ARG 35 Ca 0.06 -0.26 0.15 0.00 -0.81 0.00 0.00 59.98 59.12 1h67 h ARG 35 Cb 0.35 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1h67 h ARG 35 CO -0.18 0.83 0.46 0.28 -1.51 0.00 0.00 179.97 179.85 1h67 h VAL 36 N 0.16 0.78 0.49 0.20 2.07 -0.98 -2.33 116.25 116.64 1h67 h VAL 36 Ca 0.03 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1h67 h VAL 36 Cb 0.74 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1h67 h VAL 36 CO 0.05 0.05 -0.37 -0.25 0.02 0.00 0.00 177.57 177.07 1h67 h TRP 37 N 0.29 -1.02 -0.60 1.57 7.01 -0.87 0.07 115.95 122.39 1h67 h TRP 37 Ca 0.33 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.32 1h67 h TRP 37 Cb 0.88 0.38 -0.03 0.00 -2.10 0.00 0.00 29.16 28.29 1h67 h TRP 37 CO -0.00 -0.53 0.36 0.82 -2.79 0.00 0.00 178.44 176.30 1h67 h ILE 38 N -0.83 1.18 -0.59 2.65 5.03 -1.59 -1.48 117.51 121.88 1h67 h ILE 38 Ca -0.06 -0.40 0.06 0.00 -0.12 0.00 0.00 64.86 64.34 1h67 h ILE 38 Cb 0.69 0.36 -0.06 0.00 -3.03 0.00 0.00 36.82 34.78 1h67 h ILE 38 CO 0.02 0.18 0.28 -0.33 -0.68 0.00 0.00 178.15 177.63 1h67 h GLU 39 N 0.81 0.51 -0.27 2.37 5.08 -1.37 -1.94 114.58 119.79 1h67 h GLU 39 Ca 0.22 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1h67 h GLU 39 Cb -0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1h67 h GLU 39 CO -0.04 0.34 -0.29 0.78 -1.00 0.00 0.00 179.01 178.80 1h67 h GLY 40 N 0.53 0.59 0.29 -3.84 0.00 -0.66 -0.27 103.07 99.70 1h67 h GLY 40 Ca 0.27 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1h67 h GLY 40 CO -0.21 0.47 -0.39 0.00 0.00 0.00 0.00 176.54 176.40 1h67 h ALA 41 N 1.22 -1.01 0.00 3.60 0.00 -0.47 -3.40 119.26 119.21 1h67 h ALA 41 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1h67 h ALA 41 Cb 0.74 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1h67 h ALA 41 CO 0.06 -1.05 -0.65 0.25 0.00 0.00 0.00 179.25 177.85 1h67 n THR 42 N -4.75 1.02 0.00 0.00 -2.24 -1.11 -5.06 114.28 102.14 1h67 n THR 42 Ca -0.08 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1h67 n THR 42 Cb 0.34 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 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 1.49 0.71 3.68 3.38 0.00 -0.11 -5.08 105.19 109.26 1h67 n GLY 43 Ca -0.09 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 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 2.20 -0.06 1.61 5.12 -1.26 -4.85 116.66 119.42 1h67 n ARG 44 Ca 0.00 0.79 0.01 0.00 -1.93 0.00 0.00 57.85 56.71 1h67 n ARG 44 Cb 0.00 -2.53 0.03 0.00 -1.16 0.00 0.00 32.46 28.80 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 2.90 1.28 0.00 5.56 5.12 -1.26 -3.89 116.66 126.36 1h67 n ARG 45 Ca 0.14 -0.23 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1h67 n ARG 45 Cb 0.31 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 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 0.02 0.00 0.00 0.55 5.41 -1.26 -4.58 119.36 119.50 1h67 n ILE 46 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1h67 n ILE 46 Cb 0.30 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.23 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 3.85 0.37 7.39 0.00 -1.26 -4.41 105.19 111.12 1h67 n GLY 47 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.72 1h67 n GLY 47 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1h67 h ASP 48 N 0.00 0.64 0.10 1.61 3.04 -2.02 0.26 116.42 120.04 1h67 h ASP 48 Ca 0.00 0.03 -0.04 0.00 -3.24 0.00 0.00 57.03 53.78 1h67 h ASP 48 Cb 0.00 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.18 1h67 h ASP 48 CO 0.00 0.35 -0.15 0.78 -2.04 0.00 0.00 179.24 178.18 1h67 h ASN 49 N 0.69 0.09 0.00 4.15 4.21 -1.96 -3.46 115.58 119.30 1h67 h ASN 49 Ca 0.41 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.90 1h67 h ASN 49 Cb 0.62 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1h67 h ASN 49 CO -0.17 0.25 0.00 0.33 -1.29 0.00 0.00 177.43 176.55 1h67 n PHE 50 N -4.31 0.00 -0.09 1.19 7.35 0.90 -4.38 117.46 118.11 1h67 n PHE 50 Ca -0.02 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.49 1h67 n PHE 50 Cb 0.24 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.96 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 0.00 -0.90 -4.13 2.86 -1.89 -3.31 114.93 107.56 1h67 h MET 51 Ca 0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 1h67 h MET 51 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 1h67 h MET 51 CO 0.00 0.92 0.58 -0.44 1.06 0.00 0.00 176.91 179.03 1h67 h ASP 52 N -1.00 0.65 -0.57 1.22 5.19 -1.90 -1.07 116.42 118.93 1h67 h ASP 52 Ca -0.24 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.15 1h67 h ASP 52 Cb 1.16 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 1h67 h ASP 52 CO -0.14 0.32 0.09 1.23 -3.12 0.00 0.00 179.24 177.61 1h67 h GLY 53 N 0.68 1.02 2.00 2.75 0.00 -1.77 -2.63 103.07 105.12 1h67 h GLY 53 Ca 0.46 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1h67 h GLY 53 CO -0.21 0.63 -0.08 1.41 0.00 0.00 0.00 176.54 178.29 1h67 h LEU 54 N 0.84 0.00 -0.92 3.11 3.38 -1.29 -3.06 115.31 117.37 1h67 h LEU 54 Ca 0.17 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.34 1h67 h LEU 54 Cb 0.42 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 1h67 h LEU 54 CO 0.01 0.08 0.47 0.11 0.09 0.00 0.00 178.44 179.20 1h67 h LYS 55 N 0.00 0.53 -0.62 1.13 1.57 -1.08 0.15 116.57 118.25 1h67 h LYS 55 Ca -0.00 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1h67 h LYS 55 Cb 0.27 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1h67 h LYS 55 CO 0.01 0.35 0.43 0.38 -0.57 0.00 0.00 179.45 180.04 1h67 h ASP 56 N 0.54 0.25 0.00 0.86 2.03 -1.71 -3.44 116.42 114.96 1h67 h ASP 56 Ca 0.55 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 1h67 h ASP 56 Cb 0.96 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1h67 h ASP 56 CO -0.45 0.14 0.00 0.61 -1.03 0.00 0.00 179.24 178.51 1h67 n GLY 57 N -1.56 1.78 0.28 7.15 0.00 0.51 -4.27 105.19 109.08 1h67 n GLY 57 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1h67 n GLY 57 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h67 h VAL 58 N 0.00 0.38 -0.01 1.61 2.07 -1.86 0.58 116.25 119.02 1h67 h VAL 58 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1h67 h VAL 58 Cb 0.00 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1h67 h VAL 58 CO 0.00 0.00 -0.20 0.40 0.02 0.00 0.00 177.57 177.79 1h67 h ILE 59 N -0.28 0.53 -0.35 4.57 2.04 -1.91 0.81 117.51 122.91 1h67 h ILE 59 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1h67 h ILE 59 Cb 0.47 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1h67 h ILE 59 CO -0.37 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 177.88 1h67 h LEU 60 N -0.31 0.43 -0.92 1.44 3.38 -1.81 0.55 115.31 118.07 1h67 h LEU 60 Ca 0.06 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1h67 h LEU 60 Cb 0.39 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1h67 h LEU 60 CO -0.19 0.37 -0.07 0.00 0.09 0.00 0.00 178.44 178.64 1h67 h GLU 62 N 0.66 0.99 -0.08 0.00 5.08 0.26 -2.96 114.58 118.53 1h67 h GLU 62 Ca 0.12 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1h67 h GLU 62 Cb 0.51 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1h67 h GLU 62 CO 0.03 1.11 -0.24 1.25 -1.00 0.00 0.00 179.01 180.16 1h67 h LEU 63 N 0.84 0.35 -1.17 1.33 5.85 -0.75 -3.22 115.31 118.53 1h67 h LEU 63 Ca 0.10 -0.61 0.09 0.00 0.84 0.00 0.00 57.88 58.31 1h67 h LEU 63 Cb 0.82 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 1h67 h LEU 63 CO 0.07 0.89 0.58 -0.29 -0.34 0.00 0.00 178.44 179.36 1h67 h ILE 64 N -0.18 0.99 -0.60 4.05 6.09 -0.94 -0.29 117.51 126.64 1h67 h ILE 64 Ca -0.01 -0.32 -0.03 0.00 -1.37 0.00 0.00 64.86 63.14 1h67 h ILE 64 Cb 0.86 -0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.10 1h67 h ILE 64 CO 0.05 0.17 0.27 0.78 -3.07 0.00 0.00 178.15 176.35 1h67 h ASN 65 N 0.93 0.77 0.09 2.19 2.35 -1.57 0.51 115.58 120.84 1h67 h ASN 65 Ca 0.41 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1h67 h ASN 65 Cb 0.37 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1h67 h ASN 65 CO -0.18 0.67 -0.04 0.11 -1.65 0.00 0.00 177.43 176.34 1h67 h LYS 66 N 0.85 -0.11 -0.20 0.81 1.79 -1.09 -2.86 116.57 115.76 1h67 h LYS 66 Ca 0.21 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.61 1h67 h LYS 66 Cb 0.12 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1h67 h LYS 66 CO -0.02 0.12 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.18 1h67 h LEU 67 N -0.33 0.34 -7.18 2.94 3.38 -1.04 -3.41 115.31 110.02 1h67 h LEU 67 Ca -0.01 -0.10 -0.41 0.00 0.09 0.00 0.00 57.88 57.45 1h67 h LEU 67 Cb 0.28 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 40.54 1h67 h LEU 67 CO 0.02 0.57 -0.74 -1.58 0.09 0.00 0.00 178.44 176.80 1h67 s GLN 68 N -4.55 -0.01 0.18 1.13 0.74 0.17 -5.01 119.66 112.32 1h67 s GLN 68 Ca -0.06 0.17 -0.33 0.00 0.05 0.00 0.00 55.36 55.19 1h67 s GLN 68 Cb 0.14 -1.13 -0.14 0.00 1.10 0.00 0.00 33.01 32.99 1h67 s GLN 68 CO 0.76 -0.49 1.52 -2.30 -0.55 0.00 0.00 175.29 174.23 1h67 n PRO 69 N 5.29 2.07 -3.71 1.67 -0.02 -1.09 -2.79 135.00 136.43 1h67 n PRO 69 Ca -0.05 0.75 -0.22 0.00 -2.02 0.00 0.00 63.50 61.95 1h67 n PRO 69 Cb 0.50 -2.48 0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 2.99 -0.33 0.19 -1.23 0.00 -1.26 -4.94 105.19 100.60 1h67 n GLY 70 Ca 0.15 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.93 -0.34 -3.59 1.61 0.02 -1.80 -3.45 113.55 104.07 1h67 h SER 71 Ca -0.60 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 59.82 1h67 h SER 71 Cb 1.36 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.96 1h67 h SER 71 CO 0.57 0.12 0.21 -0.69 -1.14 0.00 0.00 176.83 175.90 1h67 s VAL 72 N -2.91 4.34 0.16 2.27 1.01 -1.26 -4.84 120.40 119.17 1h67 s VAL 72 Ca -0.06 1.71 -0.16 0.00 0.00 0.00 0.00 61.98 63.47 1h67 s VAL 72 Cb 0.01 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1h67 s VAL 72 CO 0.20 0.44 1.78 -0.61 0.00 0.00 0.00 175.10 176.92 1h67 h GLN 73 N 4.07 0.41 -1.45 2.72 4.15 -1.92 -3.45 115.11 119.64 1h67 h GLN 73 Ca -0.47 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.04 1h67 h GLN 73 Cb 1.20 -0.09 -0.28 0.00 0.21 0.00 0.00 27.48 28.52 1h67 h GLN 73 CO 0.66 0.27 0.50 0.21 -1.93 0.00 0.00 178.83 178.55 1h67 s LYS 74 N -6.15 0.35 0.25 1.69 2.20 -1.26 -5.15 119.74 111.66 1h67 s LYS 74 Ca -0.13 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.69 1h67 s LYS 74 Cb 0.12 0.12 -0.09 0.00 -1.51 0.00 0.00 37.83 36.46 1h67 s LYS 74 CO 0.72 -0.06 1.15 0.08 -0.36 0.00 0.00 175.35 176.88 1h67 s VAL 75 N 0.81 3.46 -0.07 4.02 1.01 -1.26 -4.82 120.40 123.55 1h67 s VAL 75 Ca -0.03 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.35 1h67 s VAL 75 Cb -0.04 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1h67 s VAL 75 CO -0.12 0.29 -0.14 0.20 0.00 0.00 0.00 175.10 175.34 1h67 s ASN 76 N -0.49 1.90 0.05 3.32 0.01 -1.26 -5.11 114.94 113.35 1h67 s ASN 76 Ca 0.48 -0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 52.00 1h67 s ASN 76 Cb -0.33 -0.84 -0.08 0.00 0.41 0.00 0.00 41.25 40.41 1h67 s ASN 76 CO 0.41 0.05 1.69 -1.81 -1.51 0.00 0.00 177.10 175.93 1h67 s ASP 77 N 0.57 6.59 -0.10 -1.22 1.01 -1.26 -4.77 116.67 117.49 1h67 s ASP 77 Ca -0.14 2.47 -0.30 0.00 0.71 0.00 0.00 52.55 55.30 1h67 s ASP 77 Cb -0.15 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 1h67 s ASP 77 CO 0.04 -0.91 1.42 -2.84 0.21 0.00 0.00 175.17 173.09 1h67 s PRO 78 N 3.04 4.22 0.36 8.23 0.02 -1.26 -4.72 135.00 144.88 1h67 s PRO 78 Ca 0.75 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1h67 s PRO 78 Cb -0.39 -3.82 0.00 0.00 0.02 0.00 0.00 34.50 30.31 1h67 s PRO 78 CO 0.33 -0.74 0.00 0.28 -0.33 0.00 0.00 177.00 176.54 1h67 n VAL 79 N 5.31 0.00 0.00 3.83 0.31 -1.26 -5.08 118.33 121.44 1h67 n VAL 79 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 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 -3.34 0.27 -2.80 5.55 6.02 -1.26 -5.02 117.38 116.81 1h67 n GLN 80 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1h67 n GLN 80 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 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 1.02 0.00 1.08 4.13 -1.26 -4.85 115.26 115.38 1h67 n ASN 81 Ca 0.00 -2.79 0.00 0.00 1.68 0.00 0.00 54.58 53.47 1h67 n ASN 81 Cb 0.00 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1h67 n ASN 81 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 1h67 n TRP 82 N 0.00 0.00 -0.15 3.10 4.27 -1.26 -4.89 117.44 118.51 1h67 n TRP 82 Ca 0.12 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.70 1h67 n TRP 82 Cb 0.78 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.79 1h67 n TRP 82 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1h67 h HIS 83 N 0.00 0.22 -0.45 -2.67 3.86 -1.88 -1.70 115.15 112.52 1h67 h HIS 83 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1h67 h HIS 83 Cb 0.00 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1h67 h HIS 83 CO 0.00 0.04 0.22 0.87 0.86 0.00 0.00 177.93 179.93 1h67 h LYS 84 N 0.28 0.65 -0.82 2.45 1.57 -1.86 -1.77 116.57 117.07 1h67 h LYS 84 Ca 0.23 -0.09 0.13 0.00 -1.87 0.00 0.00 60.65 59.05 1h67 h LYS 84 Cb 0.28 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1h67 h LYS 84 CO -0.28 0.55 0.53 -0.07 -0.57 0.00 0.00 179.45 179.61 1h67 h LEU 85 N 0.59 0.59 0.00 2.94 3.38 -1.64 0.10 115.31 121.27 1h67 h LEU 85 Ca 0.16 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1h67 h LEU 85 Cb 0.11 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1h67 h LEU 85 CO -0.02 0.32 -0.47 -0.08 0.09 0.00 0.00 178.44 178.28 1h67 h GLU 86 N 0.64 0.31 -0.89 1.13 4.81 -0.95 -2.27 114.58 117.36 1h67 h GLU 86 Ca 0.40 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1h67 h GLU 86 Cb 0.64 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 1h67 h GLU 86 CO -0.16 1.04 0.58 -0.91 -0.73 0.00 0.00 179.01 178.83 1h67 h ASN 87 N -0.28 1.03 -0.44 1.04 2.35 -0.73 -2.24 115.58 116.32 1h67 h ASN 87 Ca -0.06 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 1h67 h ASN 87 Cb 1.21 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 1h67 h ASN 87 CO 0.09 0.76 -0.15 0.40 -1.65 0.00 0.00 177.43 176.88 1h67 h ILE 88 N 1.21 1.27 -0.12 2.81 2.04 -0.89 -2.58 117.51 121.26 1h67 h ILE 88 Ca 0.33 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.93 1h67 h ILE 88 Cb -0.12 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1h67 h ILE 88 CO -0.07 0.44 -0.04 1.23 0.00 0.00 0.00 178.15 179.70 1h67 h GLY 89 N 0.71 0.07 1.02 5.37 0.00 -0.96 -1.08 103.07 108.20 1h67 h GLY 89 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1h67 h GLY 89 CO 0.05 -0.06 0.45 3.43 0.00 0.00 0.00 176.54 180.41 1h67 h ASN 90 N -0.02 1.06 -0.03 0.19 2.35 -1.43 -0.96 115.58 116.74 1h67 h ASN 90 Ca 0.06 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1h67 h ASN 90 Cb 0.12 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1h67 h ASN 90 CO -0.13 0.86 0.01 0.15 -1.65 0.00 0.00 177.43 176.66 1h67 h PHE 91 N 1.17 0.01 -0.18 1.19 3.57 -1.05 -0.19 116.94 121.46 1h67 h PHE 91 Ca 0.29 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1h67 h PHE 91 Cb 0.05 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1h67 h PHE 91 CO 0.01 0.00 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.97 1h67 h LEU 92 N 0.02 0.36 -0.72 0.59 3.38 -1.05 -1.01 115.31 116.88 1h67 h LEU 92 Ca 0.01 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1h67 h LEU 92 Cb 0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1h67 h LEU 92 CO -0.01 0.65 0.45 0.03 0.09 0.00 0.00 178.44 179.64 1h67 h ARG 93 N 0.06 0.85 -0.36 1.13 3.08 -1.14 0.22 114.38 118.23 1h67 h ARG 93 Ca 0.05 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1h67 h ARG 93 Cb 0.49 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1h67 h ARG 93 CO 0.02 0.56 0.04 0.00 -1.07 0.00 0.00 179.97 179.52 1h67 h ALA 94 N 1.31 0.48 -0.23 0.04 0.00 -0.96 -2.80 119.26 117.09 1h67 h ALA 94 Ca 0.29 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1h67 h ALA 94 Cb 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1h67 h ALA 94 CO -0.11 0.20 -0.53 -0.84 0.00 0.00 0.00 179.25 177.97 1h67 h ILE 95 N 0.43 1.30 -0.93 0.00 3.07 -0.81 0.36 117.51 120.93 1h67 h ILE 95 Ca 0.11 -1.74 0.04 0.00 1.55 0.00 0.00 64.86 64.81 1h67 h ILE 95 Cb 0.38 1.69 -0.06 0.00 -0.27 0.00 0.00 36.82 38.56 1h67 h ILE 95 CO 0.01 0.55 0.61 0.11 -1.05 0.00 0.00 178.15 178.38 1h67 h LYS 96 N 0.52 1.14 0.09 0.16 1.57 -0.54 -2.23 116.57 117.28 1h67 h LYS 96 Ca 0.02 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 1h67 h LYS 96 Cb 1.09 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1h67 h LYS 96 CO 0.11 0.75 -1.57 1.25 -0.57 0.00 0.00 179.45 179.42 1h67 h HIS 97 N 1.17 0.33 -0.80 -1.35 2.76 -1.45 -3.36 115.15 112.46 1h67 h HIS 97 Ca 0.37 -0.24 0.15 0.00 -2.20 0.00 0.00 60.37 58.45 1h67 h HIS 97 Cb 0.01 -0.01 -0.10 0.00 1.55 0.00 0.00 27.41 28.87 1h67 h HIS 97 CO -0.01 1.32 0.36 -0.92 -1.30 0.00 0.00 177.93 177.39 1h67 h TYR 98 N 0.05 0.63 0.00 5.26 3.20 0.09 -3.45 116.97 122.75 1h67 h TYR 98 Ca -0.25 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1h67 h TYR 98 Cb 2.00 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 40.11 1h67 h TYR 98 CO 0.05 0.11 0.00 0.41 -1.64 0.00 0.00 178.16 177.09 1h67 n GLY 99 N -1.32 0.17 3.69 1.82 0.00 -0.89 -5.06 105.19 103.60 1h67 n GLY 99 Ca 0.16 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 0.20 -2.28 1.61 0.31 -0.93 -4.94 118.33 112.30 1h67 n VAL 100 Ca 0.00 -0.04 -0.40 0.00 -0.01 0.00 0.00 64.34 63.89 1h67 n VAL 100 Cb 0.00 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 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 1.98 4.43 0.26 5.55 1.02 -1.26 -4.06 119.74 127.66 1h67 s LYS 101 Ca 0.80 2.00 -0.01 0.00 0.02 0.00 0.00 55.97 58.78 1h67 s LYS 101 Cb -0.55 -3.07 0.51 0.00 -0.52 0.00 0.00 37.83 34.20 1h67 s LYS 101 CO 0.37 -0.05 1.77 -1.35 -0.92 0.00 0.00 175.35 175.18 1h67 h PRO 102 N 3.45 0.64 -0.61 -1.68 0.11 -1.92 -1.29 132.00 130.70 1h67 h PRO 102 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h67 h PRO 102 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1h67 h PRO 102 CO 0.66 0.42 0.00 -2.39 -0.21 0.00 0.00 178.00 176.48 1h67 n HIS 103 N -4.84 0.00 -2.75 0.65 1.44 -1.26 -2.31 115.22 106.14 1h67 n HIS 103 Ca 0.16 -0.02 -0.01 0.00 -2.01 0.00 0.00 57.72 55.84 1h67 n HIS 103 Cb 0.41 -0.06 0.09 0.00 0.12 0.00 0.00 29.99 30.55 1h67 n HIS 103 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1h67 n ASP 104 N 0.26 -0.01 -3.74 4.39 9.92 -0.49 -5.10 116.55 121.78 1h67 n ASP 104 Ca 0.00 -2.14 -0.12 0.00 -0.53 0.00 0.00 54.79 52.00 1h67 n ASP 104 Cb 0.15 0.13 -0.12 0.00 -0.64 0.00 0.00 41.12 40.64 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 -1.76 -0.02 0.38 0.53 1.01 -0.98 -4.42 121.20 115.93 1h67 s ILE 105 Ca 0.18 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.65 1h67 s ILE 105 Cb 0.39 -0.42 -0.09 0.00 0.01 0.00 0.00 42.46 42.35 1h67 s ILE 105 CO -0.08 0.03 1.15 0.72 0.00 0.00 0.00 174.94 176.76 1h67 s PHE 106 N 0.86 3.17 0.30 3.97 -0.12 -1.26 -5.02 117.98 119.88 1h67 s PHE 106 Ca -0.06 1.58 -0.09 0.00 -0.05 0.00 0.00 56.93 58.31 1h67 s PHE 106 Cb -0.07 -3.37 -0.06 0.00 -0.63 0.00 0.00 43.02 38.89 1h67 s PHE 106 CO -0.06 -1.16 0.62 -1.21 -0.05 0.00 0.00 175.22 173.36 1h67 s GLU 107 N -2.15 3.76 0.35 1.99 8.01 -1.26 -4.92 118.70 124.48 1h67 s GLU 107 Ca 0.54 0.26 0.14 0.00 0.01 0.00 0.00 54.97 55.93 1h67 s GLU 107 Cb -0.30 -2.57 1.02 0.00 -4.31 0.00 0.00 34.13 27.97 1h67 s GLU 107 CO 0.39 0.19 1.73 0.00 0.01 0.00 0.00 175.26 177.57 1h67 h ALA 108 N 1.93 2.01 -0.27 5.21 0.00 -1.96 0.45 119.26 126.64 1h67 h ALA 108 Ca -0.47 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1h67 h ALA 108 Cb 1.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1h67 h ALA 108 CO 0.67 -0.50 -0.36 -0.91 0.00 0.00 0.00 179.25 178.14 1h67 h ASN 109 N 0.45 0.63 0.04 0.00 2.35 -1.97 -0.75 115.58 116.33 1h67 h ASN 109 Ca 0.65 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1h67 h ASN 109 Cb 1.47 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1h67 h ASN 109 CO -0.44 0.94 -0.02 0.44 -1.65 0.00 0.00 177.43 176.71 1h67 h ASP 110 N 0.51 -0.04 -0.38 5.81 3.32 -0.51 0.27 116.42 125.39 1h67 h ASP 110 Ca 0.05 -0.18 -0.16 0.00 0.02 0.00 0.00 57.03 56.76 1h67 h ASP 110 Cb 0.86 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1h67 h ASP 110 CO 0.07 0.15 -0.39 0.25 -1.72 0.00 0.00 179.24 177.61 1h67 h LEU 111 N -0.24 1.00 -0.08 1.55 5.85 -1.37 0.17 115.31 122.20 1h67 h LEU 111 Ca -0.01 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1h67 h LEU 111 Cb 0.22 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1h67 h LEU 111 CO 0.01 1.26 -0.06 0.15 -0.34 0.00 0.00 178.44 179.46 1h67 h PHE 112 N 0.76 0.21 0.00 1.25 3.57 -1.11 -3.16 116.94 118.45 1h67 h PHE 112 Ca 0.06 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h67 h PHE 112 Cb 0.98 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1h67 h PHE 112 CO 0.06 0.59 -0.05 0.39 -2.23 0.00 0.00 178.31 177.08 1h67 n GLU 113 N -4.72 0.18 -3.08 1.11 1.02 0.94 -4.92 120.64 111.16 1h67 n GLU 113 Ca -0.07 0.14 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 1h67 n GLU 113 Cb 0.29 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 30.06 1h67 n GLU 113 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1h67 n ASN 114 N -2.00 -5.32 -0.06 1.62 5.03 0.48 -4.95 115.26 110.06 1h67 n ASN 114 Ca 0.06 -0.31 -0.07 0.00 0.87 0.00 0.00 54.58 55.12 1h67 n ASN 114 Cb 0.40 -4.06 -0.06 0.00 -1.02 0.00 0.00 39.78 35.04 1h67 n ASN 114 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1h67 h THR 115 N -1.56 0.79 0.02 3.41 1.35 -1.49 -3.40 112.91 112.03 1h67 h THR 115 Ca -0.43 -1.62 -0.00 0.00 -0.55 0.00 0.00 66.41 63.80 1h67 h THR 115 Cb 1.29 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1h67 h THR 115 CO 0.45 0.27 -0.01 0.78 -0.25 0.00 0.00 175.52 176.76 1h67 h ASN 116 N -1.00 -0.02 0.00 5.36 2.35 -1.92 -3.47 115.58 116.88 1h67 h ASN 116 Ca -0.02 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 1h67 h ASN 116 Cb 0.51 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1h67 h ASN 116 CO -0.01 0.66 0.00 1.41 -1.65 0.00 0.00 177.43 177.84 1h67 n HIS 117 N -4.77 0.00 -0.26 1.19 8.25 -1.26 -3.82 115.22 114.54 1h67 n HIS 117 Ca -0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.32 1h67 n HIS 117 Cb 0.33 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.50 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 0.00 1.18 -0.98 1.59 2.02 -1.98 -2.16 112.91 112.59 1h67 h THR 118 Ca 0.00 -0.34 0.20 0.00 0.77 0.00 0.00 66.41 67.04 1h67 h THR 118 Cb 0.00 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 66.43 1h67 h THR 118 CO 0.00 0.18 0.62 -0.61 0.37 0.00 0.00 175.52 176.08 1h67 h GLN 119 N 0.99 0.59 -0.60 6.66 5.75 -1.98 0.65 115.11 127.17 1h67 h GLN 119 Ca 0.27 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1h67 h GLN 119 Cb -0.11 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.28 1h67 h GLN 119 CO -0.06 0.39 0.32 0.28 -2.65 0.00 0.00 178.83 177.11 1h67 h VAL 120 N 0.61 1.20 -0.20 2.39 2.07 -1.70 -1.60 116.25 119.01 1h67 h VAL 120 Ca 0.54 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1h67 h VAL 120 Cb 1.06 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1h67 h VAL 120 CO -0.30 0.22 0.07 -0.61 0.02 0.00 0.00 177.57 176.97 1h67 h GLN 121 N 0.81 0.30 -0.80 1.57 4.15 -0.87 -2.90 115.11 117.37 1h67 h GLN 121 Ca 0.21 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1h67 h GLN 121 Cb 0.06 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1h67 h GLN 121 CO -0.03 0.38 0.48 0.66 -1.93 0.00 0.00 178.83 178.39 1h67 h SER 122 N 0.16 0.97 -0.68 -0.69 4.64 -1.21 -2.75 113.55 113.98 1h67 h SER 122 Ca 0.06 -0.07 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1h67 h SER 122 Cb 0.20 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 61.98 1h67 h SER 122 CO -0.00 0.75 0.37 0.74 -0.87 0.00 0.00 176.83 177.82 1h67 h THR 123 N 1.10 0.94 -0.77 2.95 2.02 -1.18 -2.01 112.91 115.97 1h67 h THR 123 Ca 0.29 -0.23 0.09 0.00 0.77 0.00 0.00 66.41 67.33 1h67 h THR 123 Cb -0.04 0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 66.50 1h67 h THR 123 CO -0.05 0.12 0.42 -0.07 0.37 0.00 0.00 175.52 176.31 1h67 h LEU 124 N 0.68 0.58 -0.55 2.58 3.38 -1.29 -1.46 115.31 119.23 1h67 h LEU 124 Ca 0.31 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1h67 h LEU 124 Cb 0.22 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1h67 h LEU 124 CO -0.20 0.33 0.34 0.40 0.09 0.00 0.00 178.44 179.40 1h67 h ILE 125 N 0.71 1.16 -0.72 1.22 2.04 -1.34 -0.95 117.51 119.63 1h67 h ILE 125 Ca 0.37 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1h67 h ILE 125 Cb 0.36 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1h67 h ILE 125 CO -0.26 0.16 0.40 0.00 0.00 0.00 0.00 178.15 178.46 1h67 h ALA 126 N 1.17 0.92 -0.46 1.87 0.00 -1.02 -2.77 119.26 118.97 1h67 h ALA 126 Ca 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1h67 h ALA 126 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1h67 h ALA 126 CO -0.04 0.43 0.05 1.25 0.00 0.00 0.00 179.25 180.94 1h67 h LEU 127 N 0.99 0.75 -0.61 0.00 7.12 -0.98 -3.10 115.31 119.48 1h67 h LEU 127 Ca 0.25 -0.28 0.10 0.00 0.13 0.00 0.00 57.88 58.08 1h67 h LEU 127 Cb 0.03 -0.20 -0.08 0.00 -0.53 0.00 0.00 40.66 39.88 1h67 h LEU 127 CO -0.04 0.85 0.21 0.00 -0.13 0.00 0.00 178.44 179.32 1h67 h ALA 128 N 0.94 0.78 -0.64 1.25 0.00 -0.92 -0.76 119.26 119.92 1h67 h ALA 128 Ca 0.14 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1h67 h ALA 128 Cb 0.43 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1h67 h ALA 128 CO 0.01 -0.22 0.42 0.66 0.00 0.00 0.00 179.25 180.13 1h67 h SER 129 N 0.37 0.67 0.16 0.00 4.64 -1.43 -1.42 113.55 116.54 1h67 h SER 129 Ca 0.31 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1h67 h SER 129 Cb 0.41 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1h67 h SER 129 CO -0.33 0.47 -0.07 1.56 -0.87 0.00 0.00 176.83 177.58 1h67 h GLN 130 N 0.78 -0.20 -0.62 4.77 7.50 -1.14 -3.25 115.11 122.94 1h67 h GLN 130 Ca 0.25 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.43 1h67 h GLN 130 Cb 0.04 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.58 1h67 h GLN 130 CO -0.07 0.12 0.40 0.00 -1.50 0.00 0.00 178.83 177.79 1h67 h ALA 131 N 0.24 0.80 0.00 3.87 0.00 -1.13 -1.10 119.26 121.93 1h67 h ALA 131 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1h67 h ALA 131 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h67 h ALA 131 CO 0.04 0.19 0.00 0.36 0.00 0.00 0.00 179.25 179.84 1h67 n LYS 132 N -4.67 0.91 0.00 0.00 2.85 -0.56 -3.54 118.16 113.15 1h67 n LYS 132 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1h67 n LYS 132 Cb 0.04 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 1h67 n LYS 132 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1h67 n THR 133 N 1.54 0.00 0.11 0.58 -1.04 -1.01 -4.98 114.28 109.48 1h67 n THR 133 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1h67 n THR 133 Cb 0.46 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.02 1h67 n THR 133 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72