#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 2.43 0.00 0.03 -0.02 -1.26 -5.01 135.00 131.17 1h67 n PRO 28 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1h67 n PRO 28 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1h67 n PRO 28 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1h67 n GLN 29 N 2.08 3.13 -3.71 -0.52 6.02 -1.26 -5.09 117.38 118.03 1h67 n GLN 29 Ca 0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.97 1h67 n GLN 29 Cb 0.35 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.51 1h67 n GLN 29 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1h67 s THR 30 N 0.00 -0.01 0.00 5.09 -4.23 -1.26 -4.89 115.64 110.34 1h67 s THR 30 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1h67 s THR 30 Cb 0.00 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.21 1h67 s THR 30 CO 0.00 0.01 0.00 -0.62 -0.54 0.00 0.00 174.62 173.47 1h67 n GLU 31 N 3.36 0.00 0.12 3.99 -0.58 -1.26 -4.49 120.64 121.79 1h67 n GLU 31 Ca -0.17 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.44 1h67 n GLU 31 Cb 0.56 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.35 1h67 n GLU 31 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1h67 h ARG 32 N 0.00 -0.27 0.10 3.49 2.43 -2.00 -2.32 114.38 115.80 1h67 h ARG 32 Ca 0.00 0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.91 1h67 h ARG 32 Cb 0.00 0.06 0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1h67 h ARG 32 CO 0.00 -0.04 -1.18 1.96 -1.51 0.00 0.00 179.97 179.20 1h67 h GLN 33 N -0.47 0.50 -0.23 0.20 4.20 -1.90 -3.18 115.11 114.23 1h67 h GLN 33 Ca -0.03 -0.67 0.04 0.00 0.06 0.00 0.00 58.65 58.05 1h67 h GLN 33 Cb 0.36 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1h67 h GLN 33 CO 0.05 1.29 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.41 1h67 h LEU 34 N 0.22 -0.11 0.24 1.46 3.38 -1.88 0.13 115.31 118.75 1h67 h LEU 34 Ca -0.15 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1h67 h LEU 34 Cb 1.86 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1h67 h LEU 34 CO 0.22 -0.03 -0.11 0.03 0.09 0.00 0.00 178.44 178.64 1h67 h ARG 35 N 0.06 -0.30 -0.72 1.13 3.08 -1.53 -2.66 114.38 113.43 1h67 h ARG 35 Ca 0.11 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1h67 h ARG 35 Cb 0.14 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1h67 h ARG 35 CO -0.19 -0.06 0.48 0.28 -1.07 0.00 0.00 179.97 179.41 1h67 h VAL 36 N -0.52 1.13 0.32 2.04 2.07 -1.51 -0.40 116.25 119.38 1h67 h VAL 36 Ca -0.03 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1h67 h VAL 36 Cb 0.39 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1h67 h VAL 36 CO 0.05 0.17 -0.15 -0.25 0.02 0.00 0.00 177.57 177.40 1h67 h TRP 37 N 0.91 -0.40 0.00 1.57 7.01 -0.65 0.90 115.95 125.29 1h67 h TRP 37 Ca 0.28 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 1h67 h TRP 37 Cb 0.01 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1h67 h TRP 37 CO -0.00 -0.25 -0.00 0.82 -2.79 0.00 0.00 178.44 176.22 1h67 h ILE 38 N -0.46 1.22 -0.46 2.65 2.04 -1.48 0.16 117.51 121.19 1h67 h ILE 38 Ca -0.04 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.19 1h67 h ILE 38 Cb 0.33 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1h67 h ILE 38 CO 0.07 0.17 0.28 -0.33 0.00 0.00 0.00 178.15 178.34 1h67 h GLU 39 N -0.28 0.54 0.00 2.37 5.08 -1.20 -2.02 114.58 119.08 1h67 h GLU 39 Ca -0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1h67 h GLU 39 Cb 0.28 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1h67 h GLU 39 CO 0.00 0.36 -0.40 0.78 -1.00 0.00 0.00 179.01 178.75 1h67 h GLY 40 N 0.56 0.00 0.01 -3.84 0.00 -0.78 0.24 103.07 99.26 1h67 h GLY 40 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.56 1h67 h GLY 40 CO -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 176.54 176.09 1h67 h ALA 41 N 1.60 -0.45 0.00 3.60 0.00 0.10 -3.36 119.26 120.75 1h67 h ALA 41 Ca -0.00 0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1h67 h ALA 41 Cb 0.75 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1h67 h ALA 41 CO 0.05 -0.85 -2.03 0.25 0.00 0.00 0.00 179.25 176.67 1h67 n THR 42 N -5.42 1.10 0.00 0.00 -2.24 -1.21 -5.05 114.28 101.45 1h67 n THR 42 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1h67 n THR 42 Cb 0.35 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 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 1.78 0.82 2.98 3.38 0.00 0.84 -5.12 105.19 109.85 1h67 n GLY 43 Ca -0.37 0.00 -0.24 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 1.53 0.08 1.61 1.81 -1.09 -5.04 118.95 117.86 1h67 s ARG 44 Ca 0.00 -0.33 -0.30 0.00 -1.72 0.00 0.00 55.73 53.38 1h67 s ARG 44 Cb 0.00 -1.36 -0.05 0.00 -0.45 0.00 0.00 34.95 33.09 1h67 s ARG 44 CO 0.00 -0.05 0.99 1.03 -0.68 0.00 0.00 175.30 176.59 1h67 s ARG 45 N 0.94 4.64 0.13 3.54 1.81 -1.26 -4.37 118.95 124.38 1h67 s ARG 45 Ca -0.10 1.48 -0.22 0.00 -1.72 0.00 0.00 55.73 55.17 1h67 s ARG 45 Cb -0.15 -3.39 -0.02 0.00 -0.45 0.00 0.00 34.95 30.94 1h67 s ARG 45 CO 0.01 0.11 1.67 0.82 -0.68 0.00 0.00 175.30 177.22 1h67 h ILE 46 N 4.24 0.59 0.00 1.52 2.04 -1.94 -3.49 117.51 120.47 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 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 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 -1.30 0.15 0.10 5.37 0.00 -1.26 -4.52 105.19 103.73 1h67 n GLY 47 Ca -0.03 -1.17 -0.06 0.00 0.00 0.00 0.00 46.02 44.76 1h67 n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1h67 h ASP 48 N 0.00 -0.10 -3.08 1.61 3.58 -1.97 -3.45 116.42 113.01 1h67 h ASP 48 Ca 0.00 -0.26 -0.60 0.00 0.42 0.00 0.00 57.03 56.59 1h67 h ASP 48 Cb 0.00 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 1h67 h ASP 48 CO 0.00 0.50 -0.20 0.21 -2.88 0.00 0.00 179.24 176.87 1h67 s ASN 49 N -5.58 6.77 0.09 2.28 3.84 -1.26 -4.99 114.94 116.08 1h67 s ASN 49 Ca -0.07 0.93 -0.26 0.00 0.21 0.00 0.00 52.86 53.67 1h67 s ASN 49 Cb -0.00 -2.23 -0.15 0.00 -0.55 0.00 0.00 41.25 38.31 1h67 s ASN 49 CO 0.26 0.26 1.70 0.15 -2.79 0.00 0.00 177.10 176.68 1h67 h PHE 50 N 4.29 -0.29 0.06 0.43 3.57 -1.97 -0.63 116.94 122.40 1h67 h PHE 50 Ca -0.51 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 60.99 1h67 h PHE 50 Cb 1.21 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1h67 h PHE 50 CO 0.69 -0.18 -0.03 0.52 -2.23 0.00 0.00 178.31 177.09 1h67 h MET 51 N -0.29 -0.08 -0.87 1.11 2.86 -1.96 -3.15 114.93 112.55 1h67 h MET 51 Ca -0.02 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.81 1h67 h MET 51 Cb 0.24 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.81 1h67 h MET 51 CO 0.02 0.48 0.42 -0.44 1.06 0.00 0.00 176.91 178.46 1h67 h ASP 52 N -0.92 0.45 -0.68 1.22 3.32 -1.86 -0.20 116.42 117.74 1h67 h ASP 52 Ca -0.01 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1h67 h ASP 52 Cb 0.59 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 1h67 h ASP 52 CO 0.01 0.13 0.28 1.23 -1.72 0.00 0.00 179.24 179.17 1h67 h GLY 53 N 0.53 1.09 1.45 2.75 0.00 -1.22 -2.62 103.07 105.06 1h67 h GLY 53 Ca 0.51 -0.59 0.08 0.00 0.00 0.00 0.00 47.33 47.33 1h67 h GLY 53 CO -0.43 0.56 0.20 1.41 0.00 0.00 0.00 176.54 178.27 1h67 h LEU 54 N 0.97 0.02 -1.93 3.11 3.38 -0.99 -2.49 115.31 117.38 1h67 h LEU 54 Ca 0.23 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.55 1h67 h LEU 54 Cb 0.20 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1h67 h LEU 54 CO -0.02 0.01 0.88 0.11 0.09 0.00 0.00 178.44 179.51 1h67 h LYS 55 N 0.02 0.03 -0.95 1.13 1.57 -1.18 0.11 116.57 117.31 1h67 h LYS 55 Ca 0.13 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.05 1h67 h LYS 55 Cb 0.50 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 1h67 h LYS 55 CO -0.00 0.02 0.57 0.38 -0.57 0.00 0.00 179.45 179.85 1h67 h ASP 56 N 0.04 0.79 0.00 0.86 2.03 -1.63 -3.43 116.42 115.08 1h67 h ASP 56 Ca 0.60 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.97 1h67 h ASP 56 Cb 2.32 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 40.73 1h67 h ASP 56 CO -0.04 0.39 0.00 0.61 -1.03 0.00 0.00 179.24 179.16 1h67 n GLY 57 N -1.34 2.46 0.47 7.15 0.00 0.39 -4.37 105.19 109.95 1h67 n GLY 57 Ca 0.19 0.00 -0.16 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 0.00 -0.12 1.61 2.07 -1.86 0.70 116.25 118.65 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 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1h67 h VAL 58 CO 0.00 0.00 -0.05 0.40 0.02 0.00 0.00 177.57 177.94 1h67 h ILE 59 N -0.85 0.83 -0.97 4.57 2.04 -1.93 0.22 117.51 121.43 1h67 h ILE 59 Ca -0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1h67 h ILE 59 Cb 0.78 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1h67 h ILE 59 CO -0.16 0.00 0.64 -0.07 0.00 0.00 0.00 178.15 178.56 1h67 h LEU 60 N -0.04 1.09 -1.13 1.44 3.38 -1.87 0.10 115.31 118.29 1h67 h LEU 60 Ca 0.06 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1h67 h LEU 60 Cb 0.13 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1h67 h LEU 60 CO -0.14 0.78 0.59 0.00 0.09 0.00 0.00 178.44 179.76 1h67 h GLU 62 N 1.18 0.96 0.84 0.00 5.08 0.14 -0.40 114.58 122.38 1h67 h GLU 62 Ca 0.34 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1h67 h GLU 62 Cb -0.09 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.11 1h67 h GLU 62 CO -0.08 1.04 -0.40 1.25 -1.00 0.00 0.00 179.01 179.82 1h67 h LEU 63 N 0.85 -0.95 -1.47 1.33 7.12 0.10 -2.69 115.31 119.60 1h67 h LEU 63 Ca 0.13 0.03 -0.04 0.00 0.13 0.00 0.00 57.88 58.12 1h67 h LEU 63 Cb 0.71 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.07 1h67 h LEU 63 CO 0.05 -0.66 -0.09 -0.29 -0.13 0.00 0.00 178.44 177.32 1h67 h ILE 64 N -1.15 1.16 -0.65 4.05 6.09 -1.37 -2.16 117.51 123.48 1h67 h ILE 64 Ca -0.11 -0.67 0.11 0.00 -1.37 0.00 0.00 64.86 62.81 1h67 h ILE 64 Cb 0.86 1.15 -0.04 0.00 0.47 0.00 0.00 36.82 39.26 1h67 h ILE 64 CO 0.19 0.21 0.43 -1.13 -3.07 0.00 0.00 178.15 174.78 1h67 h ASN 65 N 0.22 0.40 0.02 2.19 -0.73 -0.83 0.52 115.58 117.37 1h67 h ASN 65 Ca 0.05 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.23 1h67 h ASN 65 Cb 0.31 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.83 1h67 h ASN 65 CO 0.02 0.24 -0.01 0.11 -0.37 0.00 0.00 177.43 177.41 1h67 h LYS 66 N 0.45 -0.03 0.66 6.67 1.79 -1.07 -3.39 116.57 121.65 1h67 h LYS 66 Ca 0.30 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.74 1h67 h LYS 66 Cb 0.58 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1h67 h LYS 66 CO -0.09 0.71 -0.32 -0.07 -1.08 0.00 0.00 179.45 178.60 1h67 h LEU 67 N -0.93 -0.75 -9.51 2.94 3.38 -1.28 -3.43 115.31 105.74 1h67 h LEU 67 Ca -0.00 -0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.35 1h67 h LEU 67 Cb 0.75 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 1h67 h LEU 67 CO 0.00 -0.41 -0.29 -1.58 0.09 0.00 0.00 178.44 176.25 1h67 s GLN 68 N -5.11 3.99 0.17 1.13 0.74 0.18 -5.06 119.66 115.70 1h67 s GLN 68 Ca -0.16 0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.16 1h67 s GLN 68 Cb 0.02 -3.31 -0.08 0.00 1.10 0.00 0.00 33.01 30.74 1h67 s GLN 68 CO 0.51 0.50 1.26 -1.25 -0.55 0.00 0.00 175.29 175.76 1h67 s PRO 69 N -0.38 4.43 -1.49 1.67 0.04 -1.26 -3.37 135.00 134.64 1h67 s PRO 69 Ca 0.20 1.95 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 1h67 s PRO 69 Cb -0.14 -3.24 0.07 0.00 0.04 0.00 0.00 34.50 31.23 1h67 s PRO 69 CO 0.08 -0.21 0.85 0.41 0.04 0.00 0.00 177.00 178.17 1h67 n GLY 70 N 2.53 -0.50 0.31 0.56 0.00 -1.26 -4.87 105.19 101.96 1h67 n GLY 70 Ca 0.06 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.80 0.92 -3.67 1.61 0.02 -1.82 -3.43 113.55 105.38 1h67 h SER 71 Ca -0.54 -0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 60.13 1h67 h SER 71 Cb 1.36 -0.23 -0.29 0.00 0.14 0.00 0.00 62.40 63.38 1h67 h SER 71 CO 0.63 0.70 -0.64 -0.69 -1.14 0.00 0.00 176.83 175.69 1h67 s VAL 72 N -6.02 -0.02 0.00 2.27 1.01 -1.26 -4.74 120.40 111.64 1h67 s VAL 72 Ca -0.13 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1h67 s VAL 72 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.41 1h67 s VAL 72 CO 0.79 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.92 1h67 n GLN 73 N 3.38 2.93 -1.83 2.72 10.64 -1.26 -4.83 117.38 129.13 1h67 n GLN 73 Ca -0.17 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.58 1h67 n GLN 73 Cb 0.57 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.92 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 4.17 -0.03 2.61 -0.14 -1.26 -4.94 119.74 120.14 1h67 s LYS 74 Ca 0.00 2.45 -0.30 0.00 -1.36 0.00 0.00 55.97 56.76 1h67 s LYS 74 Cb 0.00 -3.71 -0.03 0.00 -1.68 0.00 0.00 37.83 32.41 1h67 s LYS 74 CO 0.00 -0.81 1.08 0.08 -0.76 0.00 0.00 175.35 174.94 1h67 s VAL 75 N 3.04 4.54 -0.05 3.17 1.01 -1.26 -5.02 120.40 125.82 1h67 s VAL 75 Ca 0.78 1.83 -0.20 0.00 0.00 0.00 0.00 61.98 64.39 1h67 s VAL 75 Cb -0.42 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1h67 s VAL 75 CO 0.35 0.07 0.56 0.20 0.00 0.00 0.00 175.10 176.27 1h67 s ASN 76 N 1.16 6.87 0.26 3.32 0.01 -1.26 -5.04 114.94 120.25 1h67 s ASN 76 Ca 0.53 1.04 -0.30 0.00 -0.71 0.00 0.00 52.86 53.42 1h67 s ASN 76 Cb -0.23 -2.34 -0.10 0.00 0.41 0.00 0.00 41.25 38.99 1h67 s ASN 76 CO 0.24 0.05 1.44 -1.81 -1.51 0.00 0.00 177.10 175.50 1h67 s ASP 77 N 0.18 6.65 0.00 -1.22 1.01 -1.26 -4.78 116.67 117.25 1h67 s ASP 77 Ca 0.30 2.68 0.00 0.00 0.71 0.00 0.00 52.55 56.24 1h67 s ASP 77 Cb -0.17 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.13 1h67 s ASP 77 CO 0.15 -0.70 1.36 -0.81 0.21 0.00 0.00 175.17 175.38 1h67 n PRO 78 N 2.21 0.77 -0.03 8.23 -0.04 -1.26 -4.17 135.00 140.70 1h67 n PRO 78 Ca 0.06 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 1h67 n PRO 78 Cb 0.40 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.69 1h67 n PRO 78 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1h67 h VAL 79 N 1.00 0.77 0.00 0.52 2.07 -1.99 -3.46 116.25 115.16 1h67 h VAL 79 Ca 0.00 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1h67 h VAL 79 Cb 0.77 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1h67 h VAL 79 CO 0.00 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1h67 n GLN 80 N -4.75 0.00 0.00 1.57 1.13 -1.26 -5.07 117.38 109.00 1h67 n GLN 80 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1h67 n GLN 80 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.57 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 0.00 0.28 1.08 3.02 -1.26 -4.84 115.26 113.54 1h67 n ASN 81 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 1h67 n ASN 81 Cb 0.00 0.01 0.75 0.00 -0.61 0.00 0.00 39.78 39.94 1h67 n ASN 81 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1h67 h TRP 82 N 0.00 0.00 -0.56 3.10 5.08 -1.97 -2.91 115.95 118.69 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 0.00 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.12 1h67 h TRP 82 CO 0.00 0.01 0.31 0.45 -1.28 0.00 0.00 178.44 177.94 1h67 h HIS 83 N 0.00 0.58 -0.78 0.12 3.86 -1.88 -1.99 115.15 115.06 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 0.45 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 1h67 h HIS 83 CO 0.00 0.30 0.46 0.87 0.86 0.00 0.00 177.93 180.41 1h67 h LYS 84 N 0.60 1.06 -0.92 2.45 1.57 -1.71 -2.38 116.57 117.25 1h67 h LYS 84 Ca 0.24 -0.10 0.16 0.00 -1.87 0.00 0.00 60.65 59.08 1h67 h LYS 84 Cb 0.11 -0.22 -0.08 0.00 0.08 0.00 0.00 32.23 32.12 1h67 h LYS 84 CO -0.14 0.76 0.59 -0.07 -0.57 0.00 0.00 179.45 180.02 1h67 h LEU 85 N 1.06 0.65 0.21 2.94 3.38 -1.44 -0.45 115.31 121.66 1h67 h LEU 85 Ca 0.28 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1h67 h LEU 85 Cb -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1h67 h LEU 85 CO -0.05 0.31 -0.10 -0.08 0.09 0.00 0.00 178.44 178.60 1h67 h GLU 86 N 0.67 -0.28 -0.93 1.13 4.57 -1.16 -0.57 114.58 118.02 1h67 h GLU 86 Ca 0.47 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.80 1h67 h GLU 86 Cb 0.80 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.38 1h67 h GLU 86 CO -0.23 0.09 0.59 -0.91 -1.18 0.00 0.00 179.01 177.37 1h67 h ASN 87 N -0.71 0.77 -0.19 1.04 2.35 -1.23 -1.19 115.58 116.42 1h67 h ASN 87 Ca -0.03 0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 1h67 h ASN 87 Cb 0.49 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1h67 h ASN 87 CO 0.05 0.41 -0.45 0.40 -1.65 0.00 0.00 177.43 176.19 1h67 h ILE 88 N 0.83 1.32 0.68 2.81 2.04 -1.06 -2.33 117.51 121.80 1h67 h ILE 88 Ca 0.46 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 1h67 h ILE 88 Cb 0.58 1.89 0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1h67 h ILE 88 CO -0.22 0.52 -0.33 1.23 0.00 0.00 0.00 178.15 179.36 1h67 h GLY 89 N 0.33 -0.96 1.03 5.37 0.00 -0.08 -1.16 103.07 107.60 1h67 h GLY 89 Ca -0.00 0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1h67 h GLY 89 CO 0.10 -0.35 0.48 3.45 0.00 0.00 0.00 176.54 180.22 1h67 h ASN 90 N -0.93 1.10 -0.06 0.19 7.08 -1.38 -1.06 115.58 120.52 1h67 h ASN 90 Ca -0.09 -0.10 0.01 0.00 -3.08 0.00 0.00 56.30 53.04 1h67 h ASN 90 Cb 0.71 -0.28 -0.01 0.00 -2.08 0.00 0.00 38.32 36.65 1h67 h ASN 90 CO 0.15 0.88 -0.03 0.15 -2.08 0.00 0.00 177.43 176.51 1h67 h PHE 91 N 1.23 -0.06 -0.11 4.14 3.57 -1.33 0.24 116.94 124.62 1h67 h PHE 91 Ca 0.31 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 1h67 h PHE 91 Cb 0.03 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1h67 h PHE 91 CO 0.01 -0.04 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.96 1h67 h LEU 92 N -0.02 0.21 -1.38 0.59 3.38 -1.03 -1.25 115.31 115.81 1h67 h LEU 92 Ca 0.03 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.72 1h67 h LEU 92 Cb 0.07 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1h67 h LEU 92 CO -0.07 0.52 0.48 0.03 0.09 0.00 0.00 178.44 179.48 1h67 h ARG 93 N -0.09 0.72 -0.20 1.13 2.47 -1.13 0.30 114.38 117.59 1h67 h ARG 93 Ca 0.03 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 1h67 h ARG 93 Cb 0.42 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1h67 h ARG 93 CO 0.01 0.48 -0.16 0.00 0.56 0.00 0.00 179.97 180.86 1h67 h ALA 94 N 1.61 0.28 -0.20 0.04 0.00 -0.78 -2.67 119.26 117.55 1h67 h ALA 94 Ca 0.31 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1h67 h ALA 94 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1h67 h ALA 94 CO -0.11 0.18 -0.68 -0.84 0.00 0.00 0.00 179.25 177.80 1h67 h ILE 95 N 0.13 1.28 -0.84 0.00 3.07 -0.56 0.31 117.51 120.90 1h67 h ILE 95 Ca 0.04 -1.89 0.03 0.00 1.55 0.00 0.00 64.86 64.59 1h67 h ILE 95 Cb 0.69 1.85 -0.05 0.00 -0.27 0.00 0.00 36.82 39.04 1h67 h ILE 95 CO 0.04 0.60 0.54 0.11 -1.05 0.00 0.00 178.15 178.40 1h67 h LYS 96 N 0.56 1.03 0.11 0.16 1.57 -0.48 -2.25 116.57 117.28 1h67 h LYS 96 Ca -0.02 -0.06 -0.28 0.00 -1.87 0.00 0.00 60.65 58.41 1h67 h LYS 96 Cb 1.29 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1h67 h LYS 96 CO 0.14 0.68 -1.36 1.25 -0.57 0.00 0.00 179.45 179.59 1h67 h HIS 97 N 1.06 0.44 -0.83 -1.35 2.76 -1.46 -3.33 115.15 112.44 1h67 h HIS 97 Ca 0.33 -0.32 0.15 0.00 -2.20 0.00 0.00 60.37 58.34 1h67 h HIS 97 Cb -0.01 -0.02 -0.10 0.00 1.55 0.00 0.00 27.41 28.84 1h67 h HIS 97 CO -0.02 1.30 0.40 -0.92 -1.30 0.00 0.00 177.93 177.39 1h67 h TYR 98 N 0.07 0.70 0.00 5.26 3.20 0.07 -3.45 116.97 122.81 1h67 h TYR 98 Ca -0.18 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1h67 h TYR 98 Cb 1.98 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 40.07 1h67 h TYR 98 CO 0.06 0.14 0.00 0.41 -1.64 0.00 0.00 178.16 177.13 1h67 n GLY 99 N -1.33 0.61 3.70 1.82 0.00 -0.89 -5.07 105.19 104.04 1h67 n GLY 99 Ca 0.17 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.23 1.61 0.31 -1.04 -4.94 118.33 112.08 1h67 n VAL 100 Ca 0.00 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 63.92 1h67 n VAL 100 Cb 0.00 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.12 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 1.00 4.44 0.30 5.55 3.01 -1.26 -4.08 119.74 128.70 1h67 s LYS 101 Ca 0.76 2.08 0.04 0.00 -1.01 0.00 0.00 55.97 57.84 1h67 s LYS 101 Cb -0.58 -3.10 0.67 0.00 -1.01 0.00 0.00 37.83 33.80 1h67 s LYS 101 CO 0.35 -0.06 1.83 -1.35 0.51 0.00 0.00 175.35 176.63 1h67 h PRO 102 N 3.51 0.84 -0.34 -1.68 0.11 -1.91 0.57 132.00 133.09 1h67 h PRO 102 Ca -0.48 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 65.68 1h67 h PRO 102 Cb 1.22 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1h67 h PRO 102 CO 0.66 0.56 0.27 1.25 -0.21 0.00 0.00 178.00 180.52 1h67 h HIS 103 N 0.87 0.00 -0.83 0.65 2.76 -2.01 0.13 115.15 116.72 1h67 h HIS 103 Ca 0.51 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 58.13 1h67 h HIS 103 Cb 0.66 0.00 -0.30 0.00 1.55 0.00 0.00 27.41 29.32 1h67 h HIS 103 CO -0.00 0.00 0.27 -0.25 -1.30 0.00 0.00 177.93 176.64 1h67 n ASP 104 N -4.25 5.65 -3.74 3.26 8.00 0.18 -4.92 116.55 120.72 1h67 n ASP 104 Ca 0.05 -3.76 -0.13 0.00 0.71 0.00 0.00 54.79 51.66 1h67 n ASP 104 Cb 0.44 -0.75 -0.14 0.00 -0.02 0.00 0.00 41.12 40.65 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 -4.32 -0.05 0.35 0.53 1.01 0.46 -4.38 121.20 114.81 1h67 s ILE 105 Ca 0.57 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 61.13 1h67 s ILE 105 Cb 0.46 -0.28 -0.09 0.00 0.01 0.00 0.00 42.46 42.56 1h67 s ILE 105 CO 0.02 0.07 1.11 0.72 0.00 0.00 0.00 174.94 176.86 1h67 s PHE 106 N 1.18 3.32 0.36 3.97 -0.12 -1.26 -4.92 117.98 120.51 1h67 s PHE 106 Ca -0.09 1.63 -0.12 0.00 -0.05 0.00 0.00 56.93 58.30 1h67 s PHE 106 Cb -0.11 -3.28 -0.07 0.00 -0.63 0.00 0.00 43.02 38.93 1h67 s PHE 106 CO -0.07 -0.83 0.74 -1.21 -0.05 0.00 0.00 175.22 173.80 1h67 s GLU 107 N -2.03 3.86 0.38 1.99 8.01 -1.26 -4.94 118.70 124.70 1h67 s GLU 107 Ca 0.52 0.52 0.16 0.00 0.01 0.00 0.00 54.97 56.18 1h67 s GLU 107 Cb -0.29 -2.42 1.03 0.00 -4.31 0.00 0.00 34.13 28.14 1h67 s GLU 107 CO 0.36 0.06 1.77 0.00 0.01 0.00 0.00 175.26 177.46 1h67 h ALA 108 N 1.71 2.10 -0.14 5.21 0.00 -1.96 0.12 119.26 126.30 1h67 h ALA 108 Ca -0.47 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 1h67 h ALA 108 Cb 1.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1h67 h ALA 108 CO 0.65 -0.51 -0.65 -2.95 0.00 0.00 0.00 179.25 175.78 1h67 h ASN 109 N 0.46 0.63 -0.27 0.00 7.08 -1.98 -1.07 115.58 120.43 1h67 h ASN 109 Ca 0.59 -0.37 0.00 0.00 -3.08 0.00 0.00 56.30 53.44 1h67 h ASN 109 Cb 1.38 -0.18 -0.01 0.00 -2.08 0.00 0.00 38.32 37.43 1h67 h ASN 109 CO -0.33 1.11 0.17 0.44 -2.08 0.00 0.00 177.43 176.74 1h67 h ASP 110 N 0.39 0.32 -0.01 6.14 5.19 -1.11 0.15 116.42 127.48 1h67 h ASP 110 Ca -0.02 -0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 1h67 h ASP 110 Cb 1.22 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1h67 h ASP 110 CO 0.12 0.26 -0.13 0.25 -3.12 0.00 0.00 179.24 176.62 1h67 h LEU 111 N 0.35 0.14 0.63 1.55 5.85 -1.48 0.11 115.31 122.46 1h67 h LEU 111 Ca 0.10 -0.71 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 1h67 h LEU 111 Cb -0.01 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 40.98 1h67 h LEU 111 CO -0.02 0.83 -0.30 0.15 -0.34 0.00 0.00 178.44 178.76 1h67 h PHE 112 N -0.54 -0.79 0.00 1.25 3.57 -1.19 -2.36 116.94 116.88 1h67 h PHE 112 Ca -0.01 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1h67 h PHE 112 Cb 0.84 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1h67 h PHE 112 CO 0.17 -0.48 0.00 0.39 -2.23 0.00 0.00 178.31 176.16 1h67 n GLU 113 N -5.44 0.12 -2.38 1.11 -0.58 0.51 -4.87 120.64 109.10 1h67 n GLU 113 Ca -0.13 0.29 -0.18 0.00 -0.42 0.00 0.00 57.16 56.72 1h67 n GLU 113 Cb 0.35 -1.69 -0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1h67 n GLU 113 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1h67 n ASN 114 N -1.91 -5.17 -0.03 1.62 3.02 -0.27 -4.91 115.26 107.61 1h67 n ASN 114 Ca 0.04 -0.04 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1h67 n ASN 114 Cb 0.25 -4.23 -0.09 0.00 -0.61 0.00 0.00 39.78 35.10 1h67 n ASN 114 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1h67 h THR 115 N -0.10 1.40 -3.20 3.41 1.35 -1.06 -3.43 112.91 111.28 1h67 h THR 115 Ca -0.42 -1.71 -0.67 0.00 -0.55 0.00 0.00 66.41 63.06 1h67 h THR 115 Cb 1.31 2.24 -0.33 0.00 -1.73 0.00 0.00 68.15 69.64 1h67 h THR 115 CO 0.49 0.50 -0.85 0.21 -0.25 0.00 0.00 175.52 175.62 1h67 s ASN 116 N -6.44 3.29 -0.16 5.36 3.04 -1.11 -5.00 114.94 113.93 1h67 s ASN 116 Ca -0.14 -0.57 -0.05 0.00 0.04 0.00 0.00 52.86 52.14 1h67 s ASN 116 Cb 0.04 -1.49 -0.08 0.00 -1.54 0.00 0.00 41.25 38.18 1h67 s ASN 116 CO 0.79 0.07 -0.18 1.41 -3.04 0.00 0.00 177.10 176.14 1h67 n HIS 117 N 4.18 0.00 -0.25 0.43 8.25 -1.26 -4.31 115.22 122.26 1h67 n HIS 117 Ca -0.20 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.31 1h67 n HIS 117 Cb 0.51 -0.58 0.18 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.38 0.62 -0.97 1.59 2.02 -2.00 0.07 112.91 113.86 1h67 h THR 118 Ca -0.39 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1h67 h THR 118 Cb 1.42 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 1h67 h THR 118 CO -0.18 0.07 0.64 -0.61 0.37 0.00 0.00 175.52 175.81 1h67 h GLN 119 N 0.39 1.26 -0.38 6.66 5.75 -2.00 -1.95 115.11 124.85 1h67 h GLN 119 Ca 0.41 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.85 1h67 h GLN 119 Cb 0.64 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1h67 h GLN 119 CO -0.43 0.84 0.23 0.28 -2.65 0.00 0.00 178.83 177.10 1h67 h VAL 120 N 1.30 1.06 -0.34 2.39 2.07 -1.21 -0.38 116.25 121.14 1h67 h VAL 120 Ca 0.36 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 1h67 h VAL 120 Cb -0.12 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1h67 h VAL 120 CO -0.09 0.09 0.14 -0.61 0.02 0.00 0.00 177.57 177.12 1h67 h GLN 121 N 0.47 0.50 -0.87 1.57 4.15 -1.08 -2.92 115.11 116.93 1h67 h GLN 121 Ca 0.15 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 1h67 h GLN 121 Cb -0.02 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 1h67 h GLN 121 CO -0.06 0.49 0.43 1.03 -1.93 0.00 0.00 178.83 178.79 1h67 h SER 122 N 0.40 1.12 -0.83 -0.69 0.87 -1.14 -2.80 113.55 110.49 1h67 h SER 122 Ca 0.11 -0.13 0.10 0.00 -1.23 0.00 0.00 61.79 60.64 1h67 h SER 122 Cb 0.17 -0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 61.77 1h67 h SER 122 CO -0.01 0.94 0.47 0.74 -0.53 0.00 0.00 176.83 178.44 1h67 h THR 123 N 1.23 0.91 -0.49 2.23 2.02 -0.88 -2.05 112.91 115.88 1h67 h THR 123 Ca 0.30 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1h67 h THR 123 Cb 0.10 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.50 1h67 h THR 123 CO -0.04 0.14 0.21 -0.07 0.37 0.00 0.00 175.52 176.14 1h67 h LEU 124 N 0.79 0.27 -0.88 2.58 3.38 -1.37 -1.59 115.31 118.49 1h67 h LEU 124 Ca 0.40 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.46 1h67 h LEU 124 Cb 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1h67 h LEU 124 CO -0.25 0.19 0.56 0.40 0.09 0.00 0.00 178.44 179.43 1h67 h ILE 125 N 0.42 1.09 -0.44 1.22 2.04 -1.40 -1.54 117.51 118.89 1h67 h ILE 125 Ca 0.22 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1h67 h ILE 125 Cb 0.19 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 1h67 h ILE 125 CO -0.19 0.19 0.23 0.00 0.00 0.00 0.00 178.15 178.38 1h67 h ALA 126 N 1.39 0.57 -0.93 1.87 0.00 -1.03 -2.46 119.26 118.67 1h67 h ALA 126 Ca 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1h67 h ALA 126 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1h67 h ALA 126 CO -0.15 0.11 0.56 1.25 0.00 0.00 0.00 179.25 181.03 1h67 h LEU 127 N 0.58 1.11 -0.89 0.00 5.85 -0.74 -2.40 115.31 118.82 1h67 h LEU 127 Ca 0.16 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1h67 h LEU 127 Cb 0.07 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1h67 h LEU 127 CO -0.02 0.85 0.59 0.00 -0.34 0.00 0.00 178.44 179.51 1h67 h ALA 128 N 1.31 1.15 -0.80 1.25 0.00 -0.97 -1.77 119.26 119.43 1h67 h ALA 128 Ca 0.33 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1h67 h ALA 128 Cb -0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.33 1h67 h ALA 128 CO -0.06 0.50 0.52 0.77 0.00 0.00 0.00 179.25 180.98 1h67 h SER 129 N 1.18 0.58 -0.19 0.00 0.02 -0.97 -1.76 113.55 112.39 1h67 h SER 129 Ca 0.34 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 1h67 h SER 129 Cb -0.08 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1h67 h SER 129 CO -0.09 0.32 0.02 1.56 -1.14 0.00 0.00 176.83 177.50 1h67 h GLN 130 N 0.62 0.33 -2.00 3.45 4.20 -1.26 -3.11 115.11 117.34 1h67 h GLN 130 Ca 0.38 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.94 1h67 h GLN 130 Cb 0.62 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1h67 h GLN 130 CO -0.15 0.51 -0.11 0.00 -0.67 0.00 0.00 178.83 178.41 1h67 n ALA 131 N -2.31 4.67 -2.63 3.87 0.00 -0.66 -3.49 120.51 119.95 1h67 n ALA 131 Ca -0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 53.44 52.82 1h67 n ALA 131 Cb 0.21 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.31 1h67 n ALA 131 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1h67 n LYS 132 N 1.81 0.69 0.00 0.00 2.85 -1.17 -4.97 118.16 117.36 1h67 n LYS 132 Ca 0.13 -0.89 0.00 0.00 -1.05 0.00 0.00 58.31 56.50 1h67 n LYS 132 Cb 0.62 0.12 0.00 0.00 -0.65 0.00 0.00 35.03 35.12 1h67 n LYS 132 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1h67 n THR 133 N -0.71 0.00 0.00 0.58 5.66 -1.23 -5.00 114.28 113.58 1h67 n THR 133 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1h67 n THR 133 Cb 0.72 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.50 1h67 n THR 133 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31