#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 1.10 -6.35 2.12 0.13 -2.05 -3.43 132.00 123.53 1h67 h PRO 28 Ca 0.00 -0.24 -0.57 0.00 -0.87 0.00 0.00 66.00 64.32 1h67 h PRO 28 Cb 0.00 -0.16 0.03 0.00 0.13 0.00 0.00 31.00 31.00 1h67 h PRO 28 CO 0.00 0.95 1.12 0.94 -0.23 0.00 0.00 178.00 180.78 1h67 n GLN 29 N -4.29 2.50 -0.72 0.86 -0.06 -1.26 -4.67 117.38 109.73 1h67 n GLN 29 Ca 0.05 0.91 -0.02 0.00 -2.00 0.00 0.00 57.00 55.95 1h67 n GLN 29 Cb 0.22 -2.80 -0.02 0.00 -4.06 0.00 0.00 30.24 23.59 1h67 n GLN 29 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1h67 n THR 30 N 5.09 0.00 -3.95 1.69 -2.24 -1.26 -5.01 114.28 108.59 1h67 n THR 30 Ca 0.21 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.64 1h67 n THR 30 Cb 0.34 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1h67 n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h67 n GLU 31 N 0.04 -3.71 0.00 -0.78 1.02 -1.26 -4.61 120.64 111.34 1h67 n GLU 31 Ca -0.08 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1h67 n GLU 31 Cb 0.64 -4.79 0.00 0.00 -0.02 0.00 0.00 31.44 27.27 1h67 n GLU 31 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1h67 n ARG 32 N -4.41 0.00 -0.32 3.49 0.63 -1.26 -4.94 116.66 109.85 1h67 n ARG 32 Ca -0.23 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.67 1h67 n ARG 32 Cb 0.64 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.64 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 1.13 -0.21 -0.14 5.75 -1.83 -2.78 115.11 117.03 1h67 h GLN 33 Ca 0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1h67 h GLN 33 Cb 0.00 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.29 1h67 h GLN 33 CO 0.00 0.75 0.07 -0.07 -2.65 0.00 0.00 178.83 176.93 1h67 h LEU 34 N 1.17 0.30 -2.71 -2.39 3.38 -1.93 0.24 115.31 113.36 1h67 h LEU 34 Ca 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1h67 h LEU 34 Cb -0.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1h67 h LEU 34 CO -0.07 0.40 0.00 0.54 0.09 0.00 0.00 178.44 179.40 1h67 n ARG 35 N -4.80 0.87 0.00 1.13 1.74 -1.05 -2.99 116.66 111.56 1h67 n ARG 35 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1h67 n ARG 35 Cb 0.14 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1h67 n ARG 35 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1h67 n VAL 36 N 1.20 0.00 0.21 1.55 0.31 -1.07 -4.85 118.33 115.67 1h67 n VAL 36 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1h67 n VAL 36 Cb 0.44 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.33 1h67 n VAL 36 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 1h67 h TRP 37 N 0.00 -0.51 -0.16 3.52 7.01 -0.85 0.15 115.95 125.11 1h67 h TRP 37 Ca 0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1h67 h TRP 37 Cb 0.00 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1h67 h TRP 37 CO 0.00 -0.32 0.06 0.82 -2.79 0.00 0.00 178.44 176.21 1h67 h ILE 38 N -0.61 1.17 -0.62 2.65 2.04 -1.82 -0.68 117.51 119.63 1h67 h ILE 38 Ca -0.06 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1h67 h ILE 38 Cb 0.42 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1h67 h ILE 38 CO 0.09 0.16 0.40 -0.33 0.00 0.00 0.00 178.15 178.47 1h67 h GLU 39 N 0.09 0.79 -0.37 2.37 5.08 -1.79 -2.36 114.58 118.39 1h67 h GLU 39 Ca 0.05 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1h67 h GLU 39 Cb 0.20 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1h67 h GLU 39 CO -0.00 0.52 -0.09 0.78 -1.00 0.00 0.00 179.01 179.21 1h67 h GLY 40 N 0.81 0.68 0.34 -3.84 0.00 -0.58 0.77 103.07 101.25 1h67 h GLY 40 Ca 0.24 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1h67 h GLY 40 CO -0.07 0.44 -0.46 0.00 0.00 0.00 0.00 176.54 176.45 1h67 h ALA 41 N 1.32 -0.90 0.00 3.60 0.00 -0.57 -3.36 119.26 119.35 1h67 h ALA 41 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h67 h ALA 41 Cb 0.51 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1h67 h ALA 41 CO 0.03 -1.07 -0.11 1.79 0.00 0.00 0.00 179.25 179.89 1h67 h THR 42 N -0.78 0.00 0.00 0.00 1.35 -1.55 -3.50 112.91 108.44 1h67 h THR 42 Ca -0.01 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1h67 h THR 42 Cb 0.75 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1h67 h THR 42 CO -0.19 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.69 1h67 n GLY 43 N 1.79 1.98 3.74 5.82 0.00 0.26 -5.11 105.19 113.66 1h67 n GLY 43 Ca -0.02 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 4.33 0.03 1.61 1.81 -1.25 -4.86 118.95 120.62 1h67 s ARG 44 Ca 0.00 2.15 -0.27 0.00 -1.72 0.00 0.00 55.73 55.89 1h67 s ARG 44 Cb 0.00 -3.17 -0.05 0.00 -0.45 0.00 0.00 34.95 31.28 1h67 s ARG 44 CO 0.00 -0.35 0.86 1.03 -0.68 0.00 0.00 175.30 176.16 1h67 s ARG 45 N 0.02 4.55 0.15 3.54 1.81 -1.26 -4.54 118.95 123.21 1h67 s ARG 45 Ca 0.59 1.22 -0.19 0.00 -1.72 0.00 0.00 55.73 55.63 1h67 s ARG 45 Cb -0.39 -3.41 0.03 0.00 -0.45 0.00 0.00 34.95 30.74 1h67 s ARG 45 CO 0.38 0.14 1.67 0.82 -0.68 0.00 0.00 175.30 177.63 1h67 h ILE 46 N 4.40 0.62 0.00 1.52 2.04 -1.95 -3.49 117.51 120.65 1h67 h ILE 46 Ca -0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1h67 h ILE 46 Cb 1.21 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1h67 h ILE 46 CO 0.73 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.49 1h67 n GLY 47 N -1.29 0.57 0.12 5.37 0.00 -1.26 -4.38 105.19 104.32 1h67 n GLY 47 Ca -0.00 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 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 0.44 0.00 1.61 3.04 -2.04 -3.46 116.42 116.02 1h67 h ASP 48 Ca 0.00 -0.89 0.00 0.00 -3.24 0.00 0.00 57.03 52.90 1h67 h ASP 48 Cb 0.00 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.15 1h67 h ASP 48 CO 0.00 1.54 0.00 -3.20 -2.04 0.00 0.00 179.24 175.54 1h67 n ASN 49 N -3.99 0.00 0.00 4.15 4.05 -1.26 -5.07 115.26 113.14 1h67 n ASN 49 Ca -0.20 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.83 1h67 n ASN 49 Cb 0.88 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.89 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 0.00 -0.70 0.13 1.20 7.35 -1.26 -4.95 117.46 119.22 1h67 n PHE 50 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 1h67 n PHE 50 Cb 0.00 0.14 -0.16 0.00 0.35 0.00 0.00 39.48 39.81 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 0.50 -0.54 -4.13 2.86 -1.97 -3.31 114.93 108.34 1h67 h MET 51 Ca 0.00 -0.85 0.11 0.00 -2.06 0.00 0.00 59.70 56.90 1h67 h MET 51 Cb 0.00 0.32 -0.09 0.00 0.06 0.00 0.00 31.60 31.88 1h67 h MET 51 CO 0.00 1.41 -0.04 0.22 1.06 0.00 0.00 176.91 179.56 1h67 h ASP 52 N 0.08 -0.31 -0.15 1.22 3.58 -1.93 0.21 116.42 119.13 1h67 h ASP 52 Ca -0.26 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1h67 h ASP 52 Cb 2.11 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 43.41 1h67 h ASP 52 CO 0.25 -0.12 0.09 1.23 -2.88 0.00 0.00 179.24 177.81 1h67 h GLY 53 N 0.08 0.23 1.68 -0.78 0.00 -1.77 -1.82 103.07 100.70 1h67 h GLY 53 Ca 0.27 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.31 1h67 h GLY 53 CO -0.49 0.09 -0.89 1.41 0.00 0.00 0.00 176.54 176.67 1h67 h LEU 54 N 0.22 0.37 0.04 3.11 3.38 -0.80 -3.29 115.31 118.34 1h67 h LEU 54 Ca 0.06 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1h67 h LEU 54 Cb 0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1h67 h LEU 54 CO -0.01 1.09 -0.32 0.11 0.09 0.00 0.00 178.44 179.40 1h67 h LYS 55 N 0.17 -0.48 -0.73 1.13 1.57 0.12 -2.15 116.57 116.21 1h67 h LYS 55 Ca -0.06 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1h67 h LYS 55 Cb 1.51 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.89 1h67 h LYS 55 CO 0.14 -0.32 0.48 0.38 -0.57 0.00 0.00 179.45 179.56 1h67 h ASP 56 N -0.49 0.78 -4.01 0.86 2.03 -1.67 -3.44 116.42 110.47 1h67 h ASP 56 Ca 0.05 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1h67 h ASP 56 Cb 0.56 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1h67 h ASP 56 CO -0.24 0.55 -0.59 0.61 -1.03 0.00 0.00 179.24 178.54 1h67 n GLY 57 N -1.43 -4.64 2.20 7.15 0.00 -0.81 -4.33 105.19 103.33 1h67 n GLY 57 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.10 0.00 -0.04 1.61 0.31 -1.26 -4.85 118.33 115.20 1h67 n VAL 58 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1h67 n VAL 58 Cb 0.00 -0.02 -0.07 0.00 -0.91 0.00 0.00 33.84 32.84 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 1.30 -0.67 2.52 5.03 -1.96 -2.62 117.51 121.11 1h67 h ILE 59 Ca 0.00 -1.86 0.05 0.00 -0.12 0.00 0.00 64.86 62.94 1h67 h ILE 59 Cb 0.00 1.96 -0.05 0.00 -3.03 0.00 0.00 36.82 35.70 1h67 h ILE 59 CO 0.00 0.58 0.38 -0.07 -0.68 0.00 0.00 178.15 178.37 1h67 h LEU 60 N 0.43 0.59 -0.84 1.44 3.38 -1.93 0.47 115.31 118.85 1h67 h LEU 60 Ca -0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1h67 h LEU 60 Cb 1.26 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1h67 h LEU 60 CO 0.13 0.39 0.23 0.00 0.09 0.00 0.00 178.44 179.28 1h67 h GLU 62 N 1.06 0.43 -0.10 0.00 5.08 -0.83 -3.13 114.58 117.09 1h67 h GLU 62 Ca 0.23 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1h67 h GLU 62 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1h67 h GLU 62 CO -0.01 0.76 -0.03 1.25 -1.00 0.00 0.00 179.01 179.99 1h67 h LEU 63 N 0.36 0.20 -1.21 1.33 5.85 0.35 -3.17 115.31 119.02 1h67 h LEU 63 Ca 0.03 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1h67 h LEU 63 Cb 0.86 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1h67 h LEU 63 CO 0.07 0.53 0.54 -0.29 -0.34 0.00 0.00 178.44 178.95 1h67 h ILE 64 N -0.12 1.16 -0.31 4.05 6.09 -1.43 -0.58 117.51 126.37 1h67 h ILE 64 Ca 0.03 -0.36 0.09 0.00 -1.37 0.00 0.00 64.86 63.24 1h67 h ILE 64 Cb 0.44 0.01 -0.01 0.00 0.47 0.00 0.00 36.82 37.73 1h67 h ILE 64 CO 0.01 0.19 0.25 0.78 -3.07 0.00 0.00 178.15 176.31 1h67 h ASN 65 N 1.05 0.00 0.20 2.19 2.35 -1.52 0.84 115.58 120.70 1h67 h ASN 65 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1h67 h ASN 65 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1h67 h ASN 65 CO -0.09 0.00 -0.10 0.11 -1.65 0.00 0.00 177.43 175.71 1h67 h LYS 66 N 0.00 -0.26 0.39 0.81 1.79 -1.14 -3.33 116.57 114.84 1h67 h LYS 66 Ca 0.15 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1h67 h LYS 66 Cb 0.64 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1h67 h LYS 66 CO -0.00 0.14 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.25 1h67 h LEU 67 N -0.78 -0.45 -8.59 2.94 3.38 -1.24 -3.41 115.31 107.15 1h67 h LEU 67 Ca -0.03 -0.07 -0.69 0.00 0.09 0.00 0.00 57.88 57.19 1h67 h LEU 67 Cb 0.51 0.12 -0.18 0.00 0.09 0.00 0.00 40.66 41.20 1h67 h LEU 67 CO 0.04 -0.01 -0.24 -1.58 0.09 0.00 0.00 178.44 176.75 1h67 s GLN 68 N -3.65 3.22 0.14 1.13 0.74 0.29 -5.04 119.66 116.48 1h67 s GLN 68 Ca -0.10 -0.68 -0.35 0.00 0.05 0.00 0.00 55.36 54.28 1h67 s GLN 68 Cb 0.01 -3.92 -0.15 0.00 1.10 0.00 0.00 33.01 30.05 1h67 s GLN 68 CO 0.34 -0.76 1.48 -2.30 -0.55 0.00 0.00 175.29 173.50 1h67 n PRO 69 N 5.52 1.78 -3.77 1.67 -0.02 -1.25 -2.81 135.00 136.12 1h67 n PRO 69 Ca -0.08 0.64 -0.24 0.00 -2.02 0.00 0.00 63.50 61.80 1h67 n PRO 69 Cb 0.48 -2.36 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.01 -0.38 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.37 1h67 n GLY 70 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1h67 n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h67 n SER 71 N -2.99 0.00 -4.77 1.61 7.64 -1.12 -4.86 113.62 109.13 1h67 n SER 71 Ca -0.27 0.11 -0.39 0.00 1.01 0.00 0.00 58.87 59.32 1h67 n SER 71 Cb 0.67 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.81 1h67 n SER 71 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1h67 s VAL 72 N -0.22 4.64 0.00 0.44 1.01 -1.26 -4.99 120.40 120.02 1h67 s VAL 72 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1h67 s VAL 72 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1h67 s VAL 72 CO 0.00 0.45 0.00 0.00 0.00 0.00 0.00 175.10 175.55 1h67 n GLN 73 N 2.24 3.42 -1.98 2.72 10.64 -1.26 -4.88 117.38 128.28 1h67 n GLN 73 Ca -0.05 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.70 1h67 n GLN 73 Cb 0.50 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.85 1h67 n GLN 73 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1h67 s LYS 74 N 0.00 4.24 0.03 2.61 1.02 -1.26 -4.95 119.74 121.43 1h67 s LYS 74 Ca 0.00 2.30 -0.30 0.00 0.02 0.00 0.00 55.97 57.99 1h67 s LYS 74 Cb 0.00 -3.18 -0.06 0.00 -0.52 0.00 0.00 37.83 34.07 1h67 s LYS 74 CO 0.00 -0.57 1.34 0.08 -0.92 0.00 0.00 175.35 175.28 1h67 s VAL 75 N 1.15 3.73 -0.14 3.17 1.01 -1.26 -5.01 120.40 123.06 1h67 s VAL 75 Ca 0.69 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.69 1h67 s VAL 75 Cb -0.42 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1h67 s VAL 75 CO 0.31 0.04 0.36 0.20 0.00 0.00 0.00 175.10 176.01 1h67 s ASN 76 N 1.50 6.54 0.01 3.32 0.01 -1.26 -5.05 114.94 120.01 1h67 s ASN 76 Ca 0.62 0.64 -0.30 0.00 -0.71 0.00 0.00 52.86 53.11 1h67 s ASN 76 Cb -0.32 -2.22 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 1h67 s ASN 76 CO 0.27 0.08 1.29 -1.81 -1.51 0.00 0.00 177.10 175.43 1h67 s ASP 77 N 0.40 6.96 -0.09 -1.22 1.11 -1.26 -4.86 116.67 117.72 1h67 s ASP 77 Ca 0.20 2.03 -0.29 0.00 0.18 0.00 0.00 52.55 54.66 1h67 s ASP 77 Cb -0.14 -2.57 -0.05 0.00 1.07 0.00 0.00 42.92 41.23 1h67 s ASP 77 CO 0.07 -0.61 1.73 -2.16 1.18 0.00 0.00 175.17 175.38 1h67 s PRO 78 N 1.87 4.02 0.32 8.23 0.04 -1.26 -4.65 135.00 143.57 1h67 s PRO 78 Ca 0.60 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1h67 s PRO 78 Cb -0.30 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1h67 s PRO 78 CO 0.26 -1.04 0.00 0.28 0.04 0.00 0.00 177.00 176.54 1h67 n VAL 79 N 5.84 0.00 0.00 -0.36 0.31 -1.26 -5.08 118.33 117.78 1h67 n VAL 79 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1h67 n VAL 79 Cb 0.43 -0.14 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 -3.22 0.00 0.00 5.55 6.02 -1.26 -5.07 117.38 119.40 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 0.47 0.24 1.08 4.13 -1.26 -4.80 115.26 115.12 1h67 n ASN 81 Ca 0.00 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.42 1h67 n ASN 81 Cb 0.00 0.00 0.64 0.00 -1.54 0.00 0.00 39.78 38.88 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 0.50 3.10 5.08 -1.99 -3.15 115.95 119.49 1h67 h TRP 82 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 1h67 h TRP 82 Cb 0.38 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.54 1h67 h TRP 82 CO 0.00 0.00 -0.29 0.45 -1.28 0.00 0.00 178.44 177.32 1h67 h HIS 83 N 0.00 -0.75 -0.30 0.12 3.86 -1.91 0.20 115.15 116.36 1h67 h HIS 83 Ca 0.00 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1h67 h HIS 83 Cb 0.47 0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 1h67 h HIS 83 CO 0.00 -0.44 0.12 0.87 0.86 0.00 0.00 177.93 179.34 1h67 h LYS 84 N -0.74 0.45 -0.63 2.45 1.57 -1.74 -1.79 116.57 116.14 1h67 h LYS 84 Ca -0.06 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1h67 h LYS 84 Cb 0.59 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1h67 h LYS 84 CO 0.07 0.46 0.42 -0.07 -0.57 0.00 0.00 179.45 179.77 1h67 h LEU 85 N 0.34 0.51 -0.10 2.94 3.38 -1.50 -0.42 115.31 120.46 1h67 h LEU 85 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1h67 h LEU 85 Cb 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1h67 h LEU 85 CO -0.01 0.33 -0.41 -0.08 0.09 0.00 0.00 178.44 178.36 1h67 h GLU 86 N 0.58 0.45 -0.85 1.13 4.81 -0.62 -0.96 114.58 119.13 1h67 h GLU 86 Ca 0.28 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1h67 h GLU 86 Cb 0.34 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 1h67 h GLU 86 CO -0.09 0.98 0.53 -0.91 -0.73 0.00 0.00 179.01 178.80 1h67 h ASN 87 N 0.02 1.00 -0.29 1.04 2.35 -0.72 -2.21 115.58 116.76 1h67 h ASN 87 Ca -0.02 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1h67 h ASN 87 Cb 1.05 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1h67 h ASN 87 CO 0.09 0.75 -0.27 0.40 -1.65 0.00 0.00 177.43 176.75 1h67 h ILE 88 N 1.16 1.30 -0.56 2.81 2.04 -1.11 -2.86 117.51 120.29 1h67 h ILE 88 Ca 0.31 -1.43 0.07 0.00 1.00 0.00 0.00 64.86 64.81 1h67 h ILE 88 Cb -0.08 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1h67 h ILE 88 CO -0.06 0.46 0.23 1.23 0.00 0.00 0.00 178.15 180.00 1h67 h GLY 89 N 0.44 0.77 1.06 5.37 0.00 -0.82 -1.12 103.07 108.78 1h67 h GLY 89 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1h67 h GLY 89 CO 0.07 0.03 0.08 3.43 0.00 0.00 0.00 176.54 180.15 1h67 h ASN 90 N 0.43 1.04 0.19 0.19 2.35 -1.43 0.49 115.58 118.84 1h67 h ASN 90 Ca 0.27 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1h67 h ASN 90 Cb 0.28 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1h67 h ASN 90 CO -0.25 1.05 -0.09 0.15 -1.65 0.00 0.00 177.43 176.63 1h67 h PHE 91 N 0.99 -0.24 -0.35 1.19 3.57 -1.16 0.35 116.94 121.29 1h67 h PHE 91 Ca 0.19 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1h67 h PHE 91 Cb 0.46 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1h67 h PHE 91 CO 0.03 -0.14 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.83 1h67 h LEU 92 N -0.28 0.68 -1.05 0.59 3.38 -1.19 -1.80 115.31 115.64 1h67 h LEU 92 Ca -0.03 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.64 1h67 h LEU 92 Cb 0.21 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1h67 h LEU 92 CO 0.04 0.88 0.64 -0.09 0.09 0.00 0.00 178.44 180.00 1h67 h ARG 93 N 0.46 1.14 -0.18 1.13 2.43 -0.81 0.33 114.38 118.88 1h67 h ARG 93 Ca 0.09 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1h67 h ARG 93 Cb 0.59 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1h67 h ARG 93 CO 0.03 0.75 -0.11 0.00 -1.51 0.00 0.00 179.97 179.13 1h67 h ALA 94 N 1.46 0.26 -0.32 2.80 0.00 -0.76 -2.48 119.26 120.22 1h67 h ALA 94 Ca 0.41 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1h67 h ALA 94 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1h67 h ALA 94 CO -0.15 0.10 -0.47 -0.84 0.00 0.00 0.00 179.25 177.90 1h67 h ILE 95 N 0.07 1.28 -0.80 0.00 3.07 -0.91 0.34 117.51 120.56 1h67 h ILE 95 Ca 0.04 -1.65 0.01 0.00 1.55 0.00 0.00 64.86 64.81 1h67 h ILE 95 Cb 0.61 1.54 -0.04 0.00 -0.27 0.00 0.00 36.82 38.66 1h67 h ILE 95 CO 0.03 0.54 0.52 0.11 -1.05 0.00 0.00 178.15 178.30 1h67 h LYS 96 N 0.68 1.06 0.12 0.16 1.57 -0.42 -2.20 116.57 117.55 1h67 h LYS 96 Ca 0.03 -0.07 -0.27 0.00 -1.87 0.00 0.00 60.65 58.47 1h67 h LYS 96 Cb 1.07 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1h67 h LYS 96 CO 0.11 0.71 -1.22 1.25 -0.57 0.00 0.00 179.45 179.73 1h67 h HIS 97 N 1.09 0.55 -0.77 -1.35 2.76 -1.41 -3.31 115.15 112.71 1h67 h HIS 97 Ca 0.29 -0.39 0.13 0.00 -2.20 0.00 0.00 60.37 58.20 1h67 h HIS 97 Cb -0.11 -0.03 -0.09 0.00 1.55 0.00 0.00 27.41 28.73 1h67 h HIS 97 CO -0.01 1.29 0.35 -0.92 -1.30 0.00 0.00 177.93 177.34 1h67 h TYR 98 N 0.10 0.62 0.00 5.26 3.20 0.11 -3.45 116.97 122.80 1h67 h TYR 98 Ca -0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1h67 h TYR 98 Cb 1.94 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 40.05 1h67 h TYR 98 CO 0.07 0.14 0.00 0.41 -1.64 0.00 0.00 178.16 177.14 1h67 n GLY 99 N -1.32 0.68 3.67 1.82 0.00 -0.86 -5.07 105.19 104.11 1h67 n GLY 99 Ca 0.14 -0.04 -0.47 0.00 0.00 0.00 0.00 46.02 45.65 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 0.15 -2.50 1.61 0.31 -1.04 -4.94 118.33 111.92 1h67 n VAL 100 Ca 0.00 -0.03 -0.37 0.00 -0.01 0.00 0.00 64.34 63.94 1h67 n VAL 100 Cb 0.00 -1.60 -0.04 0.00 -0.91 0.00 0.00 33.84 31.30 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 1.70 4.15 0.42 5.55 1.02 -1.26 -4.13 119.74 127.18 1h67 s LYS 101 Ca 0.83 1.57 0.16 0.00 0.02 0.00 0.00 55.97 58.54 1h67 s LYS 101 Cb -0.69 -2.57 1.04 0.00 -0.52 0.00 0.00 37.83 35.09 1h67 s LYS 101 CO 0.42 -0.17 1.89 -1.00 -0.92 0.00 0.00 175.35 175.57 1h67 h PRO 102 N 2.53 0.42 -0.55 -1.68 0.13 -1.90 -0.37 132.00 130.59 1h67 h PRO 102 Ca -0.48 -0.03 0.16 0.00 -0.87 0.00 0.00 66.00 64.78 1h67 h PRO 102 Cb 1.22 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1h67 h PRO 102 CO 0.62 0.28 0.42 0.45 -0.23 0.00 0.00 178.00 179.55 1h67 h HIS 103 N 0.43 0.00 -0.79 1.56 3.86 -1.98 0.15 115.15 118.38 1h67 h HIS 103 Ca 0.41 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 59.06 1h67 h HIS 103 Cb 0.94 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 29.06 1h67 h HIS 103 CO -0.00 0.00 -0.22 -0.25 0.86 0.00 0.00 177.93 178.32 1h67 n ASP 104 N -4.22 5.58 -3.74 2.45 9.92 -0.15 -4.96 116.55 121.42 1h67 n ASP 104 Ca 0.10 -3.77 -0.13 0.00 -0.53 0.00 0.00 54.79 50.47 1h67 n ASP 104 Cb 0.65 -0.57 -0.13 0.00 -0.64 0.00 0.00 41.12 40.43 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 -4.55 -0.03 0.00 0.53 1.01 0.54 -4.53 121.20 114.16 1h67 s ILE 105 Ca 0.55 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1h67 s ILE 105 Cb 0.44 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.56 1h67 s ILE 105 CO 0.02 0.05 0.00 2.22 0.00 0.00 0.00 174.94 177.23 1h67 n PHE 106 N 3.96 -0.17 -3.80 3.97 1.16 -1.26 -4.90 117.46 116.42 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 0.54 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.31 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 0.53 0.61 3.97 2.02 -1.26 -5.01 118.70 119.57 1h67 s GLU 107 Ca 0.00 -0.16 0.28 0.00 0.02 0.00 0.00 54.97 55.11 1h67 s GLU 107 Cb 0.00 0.23 1.42 0.00 0.10 0.00 0.00 34.13 35.89 1h67 s GLU 107 CO 0.00 -0.13 1.83 0.00 0.02 0.00 0.00 175.26 176.98 1h67 h ALA 108 N 4.36 2.04 0.06 5.21 0.00 -1.95 0.19 119.26 129.17 1h67 h ALA 108 Ca -0.29 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 1h67 h ALA 108 Cb 1.19 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1h67 h ALA 108 CO 0.39 -0.72 -0.81 -0.91 0.00 0.00 0.00 179.25 177.20 1h67 h ASN 109 N 0.00 0.61 -0.29 0.00 4.21 -1.97 -1.91 115.58 116.23 1h67 h ASN 109 Ca 0.18 -0.83 -0.00 0.00 1.21 0.00 0.00 56.30 56.86 1h67 h ASN 109 Cb 1.22 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 1h67 h ASN 109 CO -0.00 1.37 0.17 0.44 -1.29 0.00 0.00 177.43 178.11 1h67 h ASP 110 N -0.08 0.35 -0.20 5.81 3.32 -0.99 0.29 116.42 124.92 1h67 h ASP 110 Ca -0.12 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 1h67 h ASP 110 Cb 1.55 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 41.01 1h67 h ASP 110 CO 0.16 0.31 -0.17 0.25 -1.72 0.00 0.00 179.24 178.07 1h67 h LEU 111 N 0.36 0.49 0.41 1.55 5.85 -1.52 -0.38 115.31 122.08 1h67 h LEU 111 Ca 0.10 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1h67 h LEU 111 Cb 0.03 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1h67 h LEU 111 CO -0.02 0.85 -0.20 0.15 -0.34 0.00 0.00 178.44 178.88 1h67 h PHE 112 N 0.14 -0.52 0.00 1.25 3.57 -1.26 -3.06 116.94 117.06 1h67 h PHE 112 Ca 0.04 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1h67 h PHE 112 Cb 0.70 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1h67 h PHE 112 CO 0.08 -0.19 0.00 0.39 -2.23 0.00 0.00 178.31 176.36 1h67 n GLU 113 N -5.19 0.09 -2.57 1.11 -0.58 1.00 -4.83 120.64 109.67 1h67 n GLU 113 Ca -0.10 0.22 -0.20 0.00 -0.42 0.00 0.00 57.16 56.67 1h67 n GLU 113 Cb 0.29 -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 -1.71 -0.48 0.00 0.00 177.13 174.94 1h67 n ASN 114 N -1.39 -5.62 0.06 1.62 2.85 -0.72 -4.88 115.26 107.19 1h67 n ASN 114 Ca 0.05 -0.10 -0.03 0.00 -0.11 0.00 0.00 54.58 54.38 1h67 n ASN 114 Cb 0.12 -4.58 -0.07 0.00 1.24 0.00 0.00 39.78 36.49 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 -0.45 1.00 -3.83 -0.44 1.35 -1.32 -3.47 112.91 105.76 1h67 h THR 115 Ca -0.47 -2.58 -0.23 0.00 -0.55 0.00 0.00 66.41 62.58 1h67 h THR 115 Cb 1.34 2.44 -0.26 0.00 -1.73 0.00 0.00 68.15 69.94 1h67 h THR 115 CO 0.53 0.57 -0.72 0.21 -0.25 0.00 0.00 175.52 175.86 1h67 s ASN 116 N -6.29 0.20 0.00 5.36 3.84 -1.03 -5.04 114.94 111.98 1h67 s ASN 116 Ca -0.00 -0.17 0.00 0.00 0.21 0.00 0.00 52.86 52.90 1h67 s ASN 116 Cb 0.09 0.02 0.00 0.00 -0.55 0.00 0.00 41.25 40.80 1h67 s ASN 116 CO 0.80 -0.07 0.00 1.41 -2.79 0.00 0.00 177.10 176.44 1h67 n HIS 117 N 2.61 0.00 -0.21 0.43 8.25 -1.26 -4.24 115.22 120.80 1h67 n HIS 117 Ca -0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.29 1h67 n HIS 117 Cb 0.58 0.11 0.09 0.00 1.12 0.00 0.00 29.99 31.90 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 0.93 -0.98 1.59 2.02 -2.00 -1.21 112.91 113.27 1h67 h THR 118 Ca 0.00 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 66.99 1h67 h THR 118 Cb 0.39 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 1h67 h THR 118 CO 0.00 0.11 0.65 -0.61 0.37 0.00 0.00 175.52 176.04 1h67 h GLN 119 N 0.60 1.28 -0.42 6.66 5.75 -1.99 -1.40 115.11 125.59 1h67 h GLN 119 Ca 0.28 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1h67 h GLN 119 Cb 0.21 -0.29 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 1h67 h GLN 119 CO -0.20 0.85 0.23 0.28 -2.65 0.00 0.00 178.83 177.34 1h67 h VAL 120 N 1.32 1.15 -0.28 2.39 2.07 -1.54 -1.07 116.25 120.29 1h67 h VAL 120 Ca 0.36 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1h67 h VAL 120 Cb -0.15 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1h67 h VAL 120 CO -0.08 0.16 0.11 -0.61 0.02 0.00 0.00 177.57 177.17 1h67 h GLN 121 N 0.54 0.42 -0.91 1.57 4.15 -0.87 -2.92 115.11 117.09 1h67 h GLN 121 Ca 0.15 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1h67 h GLN 121 Cb 0.05 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 1h67 h GLN 121 CO -0.02 0.44 0.53 0.66 -1.93 0.00 0.00 178.83 178.51 1h67 h SER 122 N 0.31 1.12 -0.80 -0.69 4.64 -1.12 -2.54 113.55 114.46 1h67 h SER 122 Ca 0.09 -0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1h67 h SER 122 Cb 0.18 -0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 61.91 1h67 h SER 122 CO -0.01 0.87 0.43 0.74 -0.87 0.00 0.00 176.83 178.00 1h67 h THR 123 N 1.27 0.85 -0.91 2.95 2.02 -1.01 -0.58 112.91 117.49 1h67 h THR 123 Ca 0.33 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1h67 h THR 123 Cb -0.02 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.43 1h67 h THR 123 CO -0.06 0.13 0.61 -0.07 0.37 0.00 0.00 175.52 176.50 1h67 h LEU 124 N 0.70 1.05 -0.32 2.58 3.38 -1.33 -2.11 115.31 119.26 1h67 h LEU 124 Ca 0.40 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.37 1h67 h LEU 124 Cb 0.44 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1h67 h LEU 124 CO -0.28 0.76 0.17 0.40 0.09 0.00 0.00 178.44 179.57 1h67 h ILE 125 N 1.23 1.00 -0.46 1.22 1.08 -1.03 0.65 117.51 121.20 1h67 h ILE 125 Ca 0.34 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.67 1h67 h ILE 125 Cb -0.13 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1h67 h ILE 125 CO -0.08 0.06 0.22 0.00 -0.69 0.00 0.00 178.15 177.67 1h67 h ALA 126 N 1.16 0.60 -0.70 1.87 0.00 -1.12 -2.74 119.26 118.33 1h67 h ALA 126 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1h67 h ALA 126 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1h67 h ALA 126 CO -0.08 0.17 0.19 1.25 0.00 0.00 0.00 179.25 180.77 1h67 h LEU 127 N 0.61 1.03 -0.12 0.00 5.85 -1.10 -1.67 115.31 119.90 1h67 h LEU 127 Ca 0.16 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1h67 h LEU 127 Cb 0.13 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1h67 h LEU 127 CO -0.02 0.98 -0.06 0.00 -0.34 0.00 0.00 178.44 179.00 1h67 h ALA 128 N 1.15 0.05 -0.62 1.25 0.00 -0.64 -2.09 119.26 118.36 1h67 h ALA 128 Ca 0.22 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1h67 h ALA 128 Cb 0.34 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1h67 h ALA 128 CO -0.00 -0.51 0.03 1.03 0.00 0.00 0.00 179.25 179.79 1h67 h SER 129 N -0.05 1.04 -0.44 0.00 0.87 -1.40 -3.13 113.55 110.46 1h67 h SER 129 Ca 0.07 -0.28 0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1h67 h SER 129 Cb 0.15 -0.28 -0.08 0.00 -0.44 0.00 0.00 62.40 61.76 1h67 h SER 129 CO -0.15 1.08 -0.05 -0.61 -0.53 0.00 0.00 176.83 176.56 1h67 h GLN 130 N 0.98 0.06 -0.88 2.24 4.15 -0.84 0.06 115.11 120.87 1h67 h GLN 130 Ca 0.18 -0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.75 1h67 h GLN 130 Cb 0.53 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.11 1h67 h GLN 130 CO 0.03 0.04 0.48 0.00 -1.93 0.00 0.00 178.83 177.44 1h67 h ALA 131 N 1.41 1.35 -0.12 3.38 0.00 -1.33 0.89 119.26 124.83 1h67 h ALA 131 Ca 0.21 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1h67 h ALA 131 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1h67 h ALA 131 CO -0.40 -0.06 -0.41 -0.22 0.00 0.00 0.00 179.25 178.16 1h67 h LYS 132 N 0.67 0.49 -0.07 0.00 1.63 -1.36 -3.31 116.57 114.63 1h67 h LYS 132 Ca 0.48 -0.37 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1h67 h LYS 132 Cb 0.68 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1h67 h LYS 132 CO -0.36 0.99 0.04 1.79 -3.45 0.00 0.00 179.45 178.46 1h67 h THR 133 N 0.10 1.08 0.00 1.00 1.35 -0.23 -3.52 112.91 112.68 1h67 h THR 133 Ca -0.02 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1h67 h THR 133 Cb 1.03 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1h67 h THR 133 CO 0.09 0.07 0.00 0.29 -0.25 0.00 0.00 175.52 175.71