#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k27 s PRO 2 N 0.00 2.53 0.38 0.03 0.04 -1.26 -4.97 135.00 131.76 2k27 s PRO 2 Ca 0.00 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2k27 s PRO 2 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2k27 s PRO 2 CO 0.00 -1.34 0.00 1.58 0.04 0.00 0.00 177.00 177.28 2k27 n HIS 3 N -3.26 -3.94 -0.77 0.56 -0.00 -1.26 -5.18 115.22 101.38 2k27 n HIS 3 Ca 0.07 1.19 0.07 0.00 0.46 0.00 0.00 57.72 59.51 2k27 n HIS 3 Cb 0.55 2.88 -0.04 0.00 -0.12 0.00 0.00 29.99 33.26 2k27 n HIS 3 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 2k27 n ASN 4 N -3.35 -4.15 -3.38 0.26 2.85 -1.26 -5.00 115.26 101.24 2k27 n ASN 4 Ca 0.00 0.81 -0.18 0.00 -0.11 0.00 0.00 54.58 55.10 2k27 n ASN 4 Cb 0.00 -2.51 -0.08 0.00 1.24 0.00 0.00 39.78 38.43 2k27 n ASN 4 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2k27 s SER 5 N -5.40 1.43 0.29 1.20 0.01 -1.26 -5.14 113.70 104.83 2k27 s SER 5 Ca 0.00 -1.56 -0.29 0.00 1.31 0.00 0.00 55.95 55.41 2k27 s SER 5 Cb 0.00 0.45 -0.10 0.00 0.21 0.00 0.00 66.02 66.58 2k27 s SER 5 CO 0.00 -0.28 1.31 -0.63 0.41 0.00 0.00 173.24 174.05 2k27 s ILE 6 N 1.50 2.87 0.06 1.44 1.01 -1.26 -5.05 121.20 121.77 2k27 s ILE 6 Ca 0.16 0.82 0.02 0.00 0.00 0.00 0.00 60.65 61.65 2k27 s ILE 6 Cb -0.16 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 2k27 s ILE 6 CO -0.06 0.17 -0.07 -0.13 0.00 0.00 0.00 174.94 174.85 2k27 s ARG 7 N -1.18 0.62 -0.39 2.79 0.52 -1.26 -5.13 118.95 114.92 2k27 s ARG 7 Ca 0.52 -0.97 0.06 0.00 -0.52 0.00 0.00 55.73 54.82 2k27 s ARG 7 Cb -0.39 -0.20 0.17 0.00 0.52 0.00 0.00 34.95 35.05 2k27 s ARG 7 CO 0.47 0.01 0.55 0.45 0.02 0.00 0.00 175.30 176.80 2k27 s SER 8 N -2.16 -0.69 0.40 0.23 0.15 -1.26 -5.15 113.70 105.22 2k27 s SER 8 Ca -0.02 -0.99 -0.25 0.00 0.70 0.00 0.00 55.95 55.39 2k27 s SER 8 Cb -0.04 1.53 -0.09 0.00 -1.71 0.00 0.00 66.02 65.72 2k27 s SER 8 CO -0.02 -0.20 1.11 -0.83 1.20 0.00 0.00 173.24 174.49 2k27 s GLY 9 N 1.76 2.81 0.06 9.45 0.00 -1.26 -5.07 107.32 115.07 2k27 s GLY 9 Ca 0.16 0.83 -0.03 0.00 0.00 0.00 0.00 44.72 45.69 2k27 s GLY 9 CO -0.07 1.31 0.03 0.30 0.00 0.00 0.00 173.10 174.67 2k27 s HIS 10 N -1.53 0.43 -0.97 1.90 3.76 -1.26 -5.17 115.29 112.45 2k27 s HIS 10 Ca 0.57 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2k27 s HIS 10 Cb -0.26 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.12 2k27 s HIS 10 CO 0.33 -0.43 0.00 0.41 -0.85 0.00 0.00 174.74 174.21 2k27 n GLY 11 N 0.06 -1.19 3.67 -2.22 0.00 -1.26 -5.19 105.19 99.06 2k27 n GLY 11 Ca -0.14 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 2k27 n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k27 s GLY 12 N 0.00 -0.31 0.07 -0.02 0.00 -1.26 -5.18 107.32 100.62 2k27 s GLY 12 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 44.72 45.03 2k27 s GLY 12 CO 0.00 0.08 0.02 1.08 0.00 0.00 0.00 173.10 174.28 2k27 s LEU 13 N -2.81 3.56 0.20 0.66 1.43 -1.26 -5.10 118.68 115.36 2k27 s LEU 13 Ca 0.09 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 2k27 s LEU 13 Cb -0.02 -2.24 -0.08 0.00 0.03 0.00 0.00 46.19 43.88 2k27 s LEU 13 CO -0.02 0.19 1.22 0.21 0.23 0.00 0.00 176.35 178.19 2k27 s ASN 14 N -2.20 7.04 -0.20 2.29 3.84 -1.26 -4.97 114.94 119.48 2k27 s ASN 14 Ca 0.26 2.30 -0.16 0.00 0.21 0.00 0.00 52.86 55.47 2k27 s ASN 14 Cb -0.12 -2.61 -0.09 0.00 -0.55 0.00 0.00 41.25 37.89 2k27 s ASN 14 CO 0.18 -0.40 -0.27 0.00 -2.79 0.00 0.00 177.10 173.82 2k27 n GLN 15 N 2.36 0.54 -3.94 0.43 6.02 -1.26 -4.91 117.38 116.62 2k27 n GLN 15 Ca 0.04 0.32 -0.35 0.00 -0.01 0.00 0.00 57.00 57.00 2k27 n GLN 15 Cb 0.44 -1.52 -0.14 0.00 1.02 0.00 0.00 30.24 30.04 2k27 n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2k27 s LEU 16 N -7.85 3.52 0.00 1.08 1.43 -1.26 -5.02 118.68 110.59 2k27 s LEU 16 Ca -0.29 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 2k27 s LEU 16 Cb 0.07 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.61 2k27 s LEU 16 CO 0.43 -0.19 0.12 0.61 0.23 0.00 0.00 176.35 177.55 2k27 n GLY 17 N 4.64 -0.77 0.00 -3.19 0.00 -1.26 -5.06 105.19 99.54 2k27 n GLY 17 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2k27 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k27 n GLY 18 N 1.64 0.78 3.47 -0.02 0.00 -1.26 -4.81 105.19 104.99 2k27 n GLY 18 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2k27 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k27 n ALA 19 N 0.00 -1.75 -1.00 4.61 0.00 -1.26 -4.80 120.51 116.31 2k27 n ALA 19 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2k27 n ALA 19 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2k27 n ALA 19 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2k27 n PHE 20 N -0.52 0.00 -3.16 0.00 3.01 -1.26 -4.73 117.46 110.80 2k27 n PHE 20 Ca -0.07 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.17 2k27 n PHE 20 Cb 0.54 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.97 2k27 n PHE 20 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k27 n VAL 21 N -0.50 0.42 -3.63 -4.37 0.31 -1.26 -4.78 118.33 104.52 2k27 n VAL 21 Ca 0.00 -4.68 -0.20 0.00 -0.01 0.00 0.00 64.34 59.45 2k27 n VAL 21 Cb 0.00 -0.89 0.05 0.00 -0.91 0.00 0.00 33.84 32.09 2k27 n VAL 21 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2k27 n ASN 22 N 0.44 -1.48 0.00 4.52 2.85 -1.26 -4.71 115.26 115.62 2k27 n ASN 22 Ca 0.26 -0.76 0.00 0.00 -0.11 0.00 0.00 54.58 53.96 2k27 n ASN 22 Cb 0.58 -4.35 0.00 0.00 1.24 0.00 0.00 39.78 37.25 2k27 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k27 n GLY 23 N -1.46 -1.34 3.64 8.20 0.00 -1.26 -5.10 105.19 107.86 2k27 n GLY 23 Ca -0.29 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 2k27 n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k27 s ARG 24 N -2.41 0.43 0.48 1.61 3.52 -1.26 -4.59 118.95 116.73 2k27 s ARG 24 Ca 0.00 0.59 -0.22 0.00 -0.13 0.00 0.00 55.73 55.97 2k27 s ARG 24 Cb 0.00 0.17 -0.07 0.00 -1.56 0.00 0.00 34.95 33.49 2k27 s ARG 24 CO 0.00 -0.06 1.14 -1.25 -0.81 0.00 0.00 175.30 174.31 2k27 s PRO 25 N 0.60 3.70 -0.80 5.12 0.04 -1.26 -5.01 135.00 137.39 2k27 s PRO 25 Ca -0.01 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2k27 s PRO 25 Cb -0.05 -2.30 0.20 0.00 0.04 0.00 0.00 34.50 32.39 2k27 s PRO 25 CO -0.10 -0.57 0.65 -0.51 0.04 0.00 0.00 177.00 176.51 2k27 s LEU 26 N -3.20 5.27 0.00 -3.56 2.01 -1.26 -4.98 118.68 112.96 2k27 s LEU 26 Ca 0.65 -3.67 -0.03 0.00 0.01 0.00 0.00 54.13 51.09 2k27 s LEU 26 Cb -0.26 -1.81 0.04 0.00 0.01 0.00 0.00 46.19 44.17 2k27 s LEU 26 CO 0.31 -0.17 0.25 -0.81 1.01 0.00 0.00 176.35 176.94 2k27 n PRO 27 N 2.34 -0.35 0.00 1.29 -0.04 -1.26 -4.57 135.00 132.41 2k27 n PRO 27 Ca 0.19 -0.39 0.01 0.00 -0.04 0.00 0.00 63.50 63.27 2k27 n PRO 27 Cb 0.36 -0.27 0.03 0.00 -0.04 0.00 0.00 33.50 33.59 2k27 n PRO 27 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k27 n GLU 28 N -1.59 0.01 -0.24 0.54 2.13 -1.26 -1.38 120.64 118.85 2k27 n GLU 28 Ca 0.03 0.34 0.12 0.00 0.66 0.00 0.00 57.16 58.31 2k27 n GLU 28 Cb 0.11 -1.50 0.40 0.00 0.27 0.00 0.00 31.44 30.72 2k27 n GLU 28 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2k27 h VAL 29 N 0.00 0.84 -0.49 6.31 3.04 -1.96 -1.54 116.25 122.45 2k27 h VAL 29 Ca 0.00 -0.22 -0.03 0.00 -1.01 0.00 0.00 66.70 65.44 2k27 h VAL 29 Cb 0.02 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 29.42 2k27 h VAL 29 CO 0.00 0.12 0.17 1.62 -1.01 0.00 0.00 177.57 178.47 2k27 h VAL 30 N 0.64 1.19 -0.41 1.51 3.04 -1.57 -2.22 116.25 118.44 2k27 h VAL 30 Ca 0.42 -0.62 0.07 0.00 -1.01 0.00 0.00 66.70 65.56 2k27 h VAL 30 Cb 0.70 0.63 -0.06 0.00 -2.01 0.00 0.00 31.29 30.55 2k27 h VAL 30 CO -0.18 0.24 0.04 -0.09 -1.01 0.00 0.00 177.57 176.58 2k27 h ARG 31 N 0.70 0.15 -0.34 4.17 2.43 -1.48 0.32 114.38 120.34 2k27 h ARG 31 Ca 0.17 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2k27 h ARG 31 Cb 0.18 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2k27 h ARG 31 CO -0.01 0.10 0.14 1.96 -1.51 0.00 0.00 179.97 180.65 2k27 h GLN 32 N 0.16 0.50 -0.53 0.20 1.08 -1.41 -0.88 115.11 114.23 2k27 h GLN 32 Ca 0.20 -0.09 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 2k27 h GLN 32 Cb 0.27 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.56 2k27 h GLN 32 CO -0.30 0.49 0.25 0.00 -0.95 0.00 0.00 178.83 178.32 2k27 h ARG 33 N 0.40 0.46 -0.13 1.46 3.08 -0.90 -0.56 114.38 118.19 2k27 h ARG 33 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2k27 h ARG 33 Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2k27 h ARG 33 CO -0.01 0.31 0.08 0.82 -1.07 0.00 0.00 179.97 180.10 2k27 h ILE 34 N 0.48 1.05 0.02 2.04 2.04 -0.66 -0.59 117.51 121.89 2k27 h ILE 34 Ca 0.24 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 66.00 2k27 h ILE 34 Cb 0.19 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2k27 h ILE 34 CO -0.19 0.05 -0.23 0.58 0.00 0.00 0.00 178.15 178.36 2k27 h VAL 35 N 0.16 0.47 0.15 1.67 2.07 -0.76 0.48 116.25 120.49 2k27 h VAL 35 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2k27 h VAL 35 Cb 0.01 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2k27 h VAL 35 CO -0.01 0.00 -0.08 0.44 0.02 0.00 0.00 177.57 177.95 2k27 h ASP 36 N -0.37 -0.18 -0.51 0.57 3.32 -0.99 -3.01 116.42 115.26 2k27 h ASP 36 Ca 0.06 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2k27 h ASP 36 Cb 0.44 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2k27 h ASP 36 CO -0.19 -0.13 0.07 0.25 -1.72 0.00 0.00 179.24 177.52 2k27 h LEU 37 N -0.21 0.82 -2.29 1.55 5.85 -1.02 -2.72 115.31 117.30 2k27 h LEU 37 Ca -0.02 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.47 2k27 h LEU 37 Cb 0.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2k27 h LEU 37 CO 0.03 0.88 0.15 0.00 -0.34 0.00 0.00 178.44 179.17 2k27 h ALA 38 N 0.97 1.73 -0.60 1.25 0.00 -0.85 -2.15 119.26 119.61 2k27 h ALA 38 Ca 0.15 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.18 2k27 h ALA 38 Cb 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2k27 h ALA 38 CO 0.01 -0.22 0.41 1.25 0.00 0.00 0.00 179.25 180.70 2k27 h HIS 39 N 0.00 0.32 -0.55 0.00 6.17 -1.34 0.13 115.15 119.87 2k27 h HIS 39 Ca 0.06 0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.21 2k27 h HIS 39 Cb 0.36 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 30.16 2k27 h HIS 39 CO 0.00 0.14 0.37 1.96 0.71 0.00 0.00 177.93 181.11 2k27 h GLN 40 N 0.30 0.50 0.00 5.26 4.20 -1.57 -3.46 115.11 120.33 2k27 h GLN 40 Ca 0.28 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2k27 h GLN 40 Cb 0.71 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2k27 h GLN 40 CO -0.07 0.33 0.00 0.41 -0.67 0.00 0.00 178.83 178.83 2k27 n GLY 41 N -1.49 0.83 3.67 3.46 0.00 0.03 -5.06 105.19 106.62 2k27 n GLY 41 Ca 0.08 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2k27 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k27 s VAL 42 N -1.72 3.65 0.44 1.61 1.01 -1.23 -5.03 120.40 119.13 2k27 s VAL 42 Ca 0.00 0.85 -0.10 0.00 0.00 0.00 0.00 61.98 62.73 2k27 s VAL 42 Cb 0.00 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 2k27 s VAL 42 CO 0.00 -0.06 0.81 -0.13 0.00 0.00 0.00 175.10 175.71 2k27 s ARG 43 N 3.67 3.74 -1.16 2.72 0.52 -1.26 -4.96 118.95 122.22 2k27 s ARG 43 Ca 0.70 0.48 -0.15 0.00 -0.52 0.00 0.00 55.73 56.23 2k27 s ARG 43 Cb -0.32 -2.35 -0.06 0.00 0.52 0.00 0.00 34.95 32.74 2k27 s ARG 43 CO 0.27 -0.12 2.19 -0.35 0.02 0.00 0.00 175.30 177.31 2k27 n PRO 44 N -1.57 2.36 0.00 3.54 -0.04 -1.26 -1.19 135.00 136.84 2k27 n PRO 44 Ca 0.03 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 2k27 n PRO 44 Cb 0.54 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 2k27 n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k27 h ASP 46 N 0.00 0.00 0.59 0.00 3.58 -1.52 -1.05 116.42 118.02 2k27 h ASP 46 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2k27 h ASP 46 Cb 0.00 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.06 2k27 h ASP 46 CO 0.00 0.08 -0.28 0.40 -2.88 0.00 0.00 179.24 176.55 2k27 h ILE 47 N 0.00 0.42 -0.88 2.25 1.08 -1.93 -2.65 117.51 115.80 2k27 h ILE 47 Ca -0.00 -0.01 0.19 0.00 -0.39 0.00 0.00 64.86 64.64 2k27 h ILE 47 Cb 0.18 0.42 -0.11 0.00 -3.07 0.00 0.00 36.82 34.24 2k27 h ILE 47 CO 0.01 0.00 0.43 0.28 -0.69 0.00 0.00 178.15 178.18 2k27 h SER 48 N -0.80 0.45 0.15 1.72 0.02 -1.48 -0.19 113.55 113.41 2k27 h SER 48 Ca -0.08 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k27 h SER 48 Cb 0.61 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2k27 h SER 48 CO 0.13 0.11 -0.13 0.03 -1.14 0.00 0.00 176.83 175.84 2k27 h ARG 49 N 0.52 -0.26 -0.27 3.45 3.08 -1.29 -1.80 114.38 117.81 2k27 h ARG 49 Ca 0.52 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.57 2k27 h ARG 49 Cb 0.88 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 2k27 h ARG 49 CO -0.45 -0.17 0.09 1.96 -1.07 0.00 0.00 179.97 180.33 2k27 h GLN 50 N -0.27 0.42 0.00 0.04 4.20 -1.04 -3.10 115.11 115.35 2k27 h GLN 50 Ca -0.02 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2k27 h GLN 50 Cb 0.23 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2k27 h GLN 50 CO -0.01 0.47 -0.37 1.28 -0.67 0.00 0.00 178.83 179.54 2k27 n LEU 51 N -4.74 0.48 -2.02 1.46 7.99 -0.14 -4.95 117.00 115.09 2k27 n LEU 51 Ca -0.03 0.25 -0.12 0.00 -0.01 0.00 0.00 56.01 56.10 2k27 n LEU 51 Cb 0.15 -0.30 0.04 0.00 -0.11 0.00 0.00 43.42 43.20 2k27 n LEU 51 CO 0.36 0.01 0.10 0.54 -1.51 0.00 0.00 177.39 176.89 2k27 n ARG 52 N -1.76 -3.80 -4.59 3.23 5.12 -0.71 -4.06 116.66 110.09 2k27 n ARG 52 Ca 0.05 0.44 -0.32 0.00 -1.93 0.00 0.00 57.85 56.09 2k27 n ARG 52 Cb 0.38 -4.30 -0.06 0.00 -1.16 0.00 0.00 32.46 27.32 2k27 n ARG 52 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2k27 s VAL 53 N -3.10 1.20 0.00 1.55 -7.23 -1.03 -4.42 120.40 107.37 2k27 s VAL 53 Ca 0.27 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 2k27 s VAL 53 Cb -0.12 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.73 2k27 s VAL 53 CO 0.34 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.59 2k27 n SER 54 N -1.40 0.00 0.00 4.85 3.41 -1.26 -4.59 113.62 114.63 2k27 n SER 54 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2k27 n SER 54 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2k27 n SER 54 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k27 n HIS 55 N -0.18 -0.05 -0.19 7.33 8.25 -1.26 -4.72 115.22 124.41 2k27 n HIS 55 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2k27 n HIS 55 Cb 0.00 0.05 0.09 0.00 1.12 0.00 0.00 29.99 31.25 2k27 n HIS 55 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2k27 h GLY 56 N 0.00 0.78 1.94 -1.41 0.00 -2.01 -1.83 103.07 100.55 2k27 h GLY 56 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 2k27 h GLY 56 CO 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 176.54 176.18 2k27 h VAL 58 N 0.00 0.96 -0.46 0.00 2.07 -1.63 -0.49 116.25 116.70 2k27 h VAL 58 Ca -0.01 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2k27 h VAL 58 Cb 1.24 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2k27 h VAL 58 CO 0.04 0.10 0.21 -1.28 0.02 0.00 0.00 177.57 176.66 2k27 h SER 59 N 0.53 0.28 -0.32 0.57 0.87 -1.53 -0.55 113.55 113.40 2k27 h SER 59 Ca 0.23 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2k27 h SER 59 Cb 0.14 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2k27 h SER 59 CO -0.16 0.20 0.20 0.11 -0.53 0.00 0.00 176.83 176.65 2k27 h LYS 60 N 0.42 0.40 -0.59 2.24 1.57 -1.44 -1.00 116.57 118.16 2k27 h LYS 60 Ca 0.21 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 2k27 h LYS 60 Cb 0.15 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 2k27 h LYS 60 CO -0.17 0.26 0.29 0.82 -0.57 0.00 0.00 179.45 180.08 2k27 h ILE 61 N 0.41 0.91 0.00 1.86 1.08 -0.83 -0.60 117.51 120.34 2k27 h ILE 61 Ca 0.12 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2k27 h ILE 61 Cb -0.02 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2k27 h ILE 61 CO -0.04 0.10 0.00 0.18 -0.69 0.00 0.00 178.15 177.69 2k27 n LEU 62 N -4.88 0.45 0.00 1.44 7.99 -0.24 -4.73 117.00 117.03 2k27 n LEU 62 Ca 0.07 0.64 0.00 0.00 -0.01 0.00 0.00 56.01 56.71 2k27 n LEU 62 Cb 0.18 -0.61 0.00 0.00 -0.11 0.00 0.00 43.42 42.88 2k27 n LEU 62 CO 0.27 -0.58 0.00 0.61 -1.51 0.00 0.00 177.39 176.18 2k27 n GLY 63 N -0.45 3.47 0.17 -0.72 0.00 -0.23 -4.81 105.19 102.62 2k27 n GLY 63 Ca 0.01 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.25 2k27 n GLY 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k27 h ARG 64 N 0.00 0.00 -1.65 1.61 9.65 -1.81 -3.38 114.38 118.80 2k27 h ARG 64 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2k27 h ARG 64 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2k27 h ARG 64 CO 0.00 0.44 -0.06 0.66 2.80 0.00 0.00 179.97 183.81 2k27 n TYR 65 N -3.43 -0.29 -3.26 2.20 4.01 -1.26 -4.86 117.16 110.27 2k27 n TYR 65 Ca 0.00 0.17 -0.17 0.00 -0.16 0.00 0.00 57.90 57.74 2k27 n TYR 65 Cb 0.59 -2.10 0.01 0.00 -0.31 0.00 0.00 39.34 37.53 2k27 n TYR 65 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2k27 n TYR 66 N 0.11 -2.87 -2.40 -0.72 9.36 -1.26 -4.99 117.16 114.38 2k27 n TYR 66 Ca 0.00 1.15 -0.05 0.00 3.32 0.00 0.00 57.90 62.33 2k27 n TYR 66 Cb 0.00 -3.25 0.02 0.00 -0.63 0.00 0.00 39.34 35.48 2k27 n TYR 66 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2k27 n GLU 67 N -1.13 0.52 -1.53 2.98 1.02 -1.00 -4.87 120.64 116.62 2k27 n GLU 67 Ca -0.05 -0.58 -0.17 0.00 -0.02 0.00 0.00 57.16 56.33 2k27 n GLU 67 Cb 0.58 -0.13 -0.14 0.00 -0.02 0.00 0.00 31.44 31.73 2k27 n GLU 67 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2k27 n THR 68 N -1.64 -0.00 -4.01 2.62 -2.24 -1.26 -1.37 114.28 106.38 2k27 n THR 68 Ca 0.03 -0.50 -0.28 0.00 -2.27 0.00 0.00 64.05 61.04 2k27 n THR 68 Cb 0.12 -1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 67.21 2k27 n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k27 n GLY 69 N 6.23 -0.29 3.79 3.38 0.00 -1.26 -4.92 105.19 112.12 2k27 n GLY 69 Ca 0.56 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.65 2k27 n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k27 s SER 70 N -4.05 -0.10 -1.21 1.61 1.04 -0.47 -4.94 113.70 105.58 2k27 s SER 70 Ca 0.22 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 2k27 s SER 70 Cb -0.12 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 2k27 s SER 70 CO 0.89 -1.43 0.87 -0.38 0.98 0.00 0.00 173.24 174.17 2k27 n ILE 71 N -0.48 -5.90 -3.15 -1.02 5.41 -1.26 -2.38 119.36 110.59 2k27 n ILE 71 Ca -0.05 -0.64 -0.21 0.00 1.00 0.00 0.00 62.75 62.85 2k27 n ILE 71 Cb 0.60 -4.75 -0.05 0.00 -0.71 0.00 0.00 39.64 34.73 2k27 n ILE 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2k27 n ARG 72 N -4.06 0.78 -2.42 0.38 5.12 -1.26 -4.70 116.66 110.50 2k27 n ARG 72 Ca -0.25 -3.12 -0.40 0.00 -1.93 0.00 0.00 57.85 52.15 2k27 n ARG 72 Cb 0.66 -1.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.61 2k27 n ARG 72 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2k27 n PRO 73 N 1.15 2.84 -2.69 5.56 -0.04 -1.26 -4.43 135.00 136.13 2k27 n PRO 73 Ca 0.21 -3.07 -0.05 0.00 -0.04 0.00 0.00 63.50 60.55 2k27 n PRO 73 Cb 0.57 -3.53 0.10 0.00 -0.04 0.00 0.00 33.50 30.60 2k27 n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k27 n GLY 74 N 5.41 -0.70 2.28 0.55 0.00 -1.26 -5.04 105.19 106.43 2k27 n GLY 74 Ca 0.48 0.54 -0.26 0.00 0.00 0.00 0.00 46.02 46.79 2k27 n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k27 n VAL 75 N 0.47 3.70 -2.62 1.61 0.24 -1.26 -4.94 118.33 115.52 2k27 n VAL 75 Ca -0.01 -2.60 -0.42 0.00 -2.04 0.00 0.00 64.34 59.27 2k27 n VAL 75 Cb 0.73 -2.00 -0.04 0.00 -1.47 0.00 0.00 33.84 31.07 2k27 n VAL 75 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2k27 s ILE 76 N -0.13 4.41 0.81 1.34 1.01 -1.26 -5.04 121.20 122.34 2k27 s ILE 76 Ca 0.63 1.85 -0.12 0.00 0.00 0.00 0.00 60.65 63.01 2k27 s ILE 76 Cb 0.29 -4.18 0.08 0.00 0.01 0.00 0.00 42.46 38.66 2k27 s ILE 76 CO -0.09 0.21 1.14 -0.83 0.00 0.00 0.00 174.94 175.37 2k27 s GLY 77 N 0.55 1.60 0.00 6.18 0.00 -1.26 -5.10 107.32 109.29 2k27 s GLY 77 Ca 0.52 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.76 2k27 s GLY 77 CO 0.30 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 174.00 2k27 n GLY 78 N -2.77 1.04 2.82 0.20 0.00 -1.26 -5.11 105.19 100.11 2k27 n GLY 78 Ca 0.07 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 2k27 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k27 s SER 79 N -1.00 0.40 0.50 1.61 1.04 -1.26 -5.15 113.70 109.84 2k27 s SER 79 Ca 0.00 -0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.20 2k27 s SER 79 Cb 0.00 -0.22 -0.08 0.00 0.10 0.00 0.00 66.02 65.82 2k27 s SER 79 CO 0.00 -0.10 1.05 -0.54 0.98 0.00 0.00 173.24 174.64 2k27 s LYS 80 N 1.00 3.72 0.81 4.02 3.01 -1.26 -5.05 119.74 125.99 2k27 s LYS 80 Ca -0.10 1.40 -0.11 0.00 -1.01 0.00 0.00 55.97 56.15 2k27 s LYS 80 Cb -0.14 -2.08 0.07 0.00 -1.01 0.00 0.00 37.83 34.68 2k27 s LYS 80 CO -0.02 -0.51 1.09 -1.25 0.51 0.00 0.00 175.35 175.18 2k27 s PRO 81 N -3.25 2.02 -0.29 -1.68 0.04 -1.26 -5.08 135.00 125.49 2k27 s PRO 81 Ca 0.68 0.74 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 2k27 s PRO 81 Cb -0.18 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.62 2k27 s PRO 81 CO 0.21 -1.69 0.60 0.21 0.04 0.00 0.00 177.00 176.37 2k27 s LYS 82 N -5.08 0.55 0.25 4.56 2.47 -1.26 -5.15 119.74 116.09 2k27 s LYS 82 Ca 0.61 1.13 -0.30 0.00 -1.56 0.00 0.00 55.97 55.85 2k27 s LYS 82 Cb -0.15 0.60 -0.10 0.00 -1.46 0.00 0.00 37.83 36.71 2k27 s LYS 82 CO 0.55 -0.47 1.44 0.54 0.16 0.00 0.00 175.35 177.57 2k27 s VAL 83 N 2.85 2.64 0.35 4.02 0.11 -1.26 -5.02 120.40 124.09 2k27 s VAL 83 Ca 0.11 0.55 -0.02 0.00 -2.93 0.00 0.00 61.98 59.68 2k27 s VAL 83 Cb -0.14 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.32 2k27 s VAL 83 CO -0.20 0.09 0.59 0.00 -3.33 0.00 0.00 175.10 172.25 2k27 s ALA 84 N -0.07 3.62 -1.38 1.54 0.00 -1.26 -4.61 121.76 119.60 2k27 s ALA 84 Ca 0.59 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 2k27 s ALA 84 Cb -0.42 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2k27 s ALA 84 CO 0.44 0.01 0.40 0.25 0.00 0.00 0.00 175.76 176.85 2k27 n THR 85 N -1.60 -2.93 0.21 0.00 -2.24 -1.26 -4.93 114.28 101.53 2k27 n THR 85 Ca -0.03 -0.57 -0.09 0.00 -2.27 0.00 0.00 64.05 61.08 2k27 n THR 85 Cb 0.55 -2.46 -0.05 0.00 -2.10 0.00 0.00 70.33 66.28 2k27 n THR 85 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2k27 h PRO 86 N -1.92 -0.57 0.00 -0.78 0.13 -2.02 -3.22 132.00 123.61 2k27 h PRO 86 Ca -0.65 0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.49 2k27 h PRO 86 Cb 1.38 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.64 2k27 h PRO 86 CO 0.61 -0.37 -0.12 0.87 -0.23 0.00 0.00 178.00 178.76 2k27 h LYS 87 N -1.15 0.00 0.03 0.86 1.79 -1.98 -2.33 116.57 113.78 2k27 h LYS 87 Ca -0.06 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2k27 h LYS 87 Cb 0.47 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 2k27 h LYS 87 CO 0.10 0.12 -0.18 0.28 -1.08 0.00 0.00 179.45 178.70 2k27 h VAL 88 N 0.00 0.58 -0.93 0.50 2.07 -1.97 -2.17 116.25 114.33 2k27 h VAL 88 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2k27 h VAL 88 Cb 0.39 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2k27 h VAL 88 CO 0.02 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.80 2k27 h VAL 89 N -0.30 1.20 0.00 2.57 2.07 -1.43 -2.05 116.25 118.31 2k27 h VAL 89 Ca 0.05 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2k27 h VAL 89 Cb 0.36 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2k27 h VAL 89 CO -0.15 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 177.34 2k27 h GLU 90 N 1.23 0.00 0.42 1.57 5.08 -1.22 -2.05 114.58 119.61 2k27 h GLU 90 Ca 0.36 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 2k27 h GLU 90 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2k27 h GLU 90 CO -0.10 0.00 -0.20 0.87 -1.00 0.00 0.00 179.01 178.58 2k27 h LYS 91 N 0.00 -0.55 -0.76 2.33 1.79 -0.76 -0.26 116.57 118.36 2k27 h LYS 91 Ca 0.00 0.04 0.15 0.00 -2.18 0.00 0.00 60.65 58.65 2k27 h LYS 91 Cb 0.12 0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 30.75 2k27 h LYS 91 CO 0.00 -0.36 -0.23 0.82 -1.08 0.00 0.00 179.45 178.59 2k27 h ILE 92 N -0.65 0.19 0.01 1.86 5.03 -1.63 -0.29 117.51 122.04 2k27 h ILE 92 Ca -0.06 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.70 2k27 h ILE 92 Cb 0.43 0.19 -0.04 0.00 -3.03 0.00 0.00 36.82 34.38 2k27 h ILE 92 CO 0.09 0.00 -0.41 1.23 -0.68 0.00 0.00 178.15 178.38 2k27 h GLY 93 N -0.03 -1.19 1.00 5.37 0.00 -1.34 -1.65 103.07 105.23 2k27 h GLY 93 Ca 0.35 0.65 0.00 0.00 0.00 0.00 0.00 47.33 48.33 2k27 h GLY 93 CO -0.80 -0.31 0.39 -0.55 0.00 0.00 0.00 176.54 175.27 2k27 h ASP 94 N -0.52 0.69 -0.44 0.19 3.32 -0.62 -0.62 116.42 118.42 2k27 h ASP 94 Ca 0.01 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2k27 h ASP 94 Cb 0.56 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2k27 h ASP 94 CO -0.27 0.51 0.29 1.88 -1.72 0.00 0.00 179.24 179.93 2k27 h TYR 95 N 0.80 0.52 0.22 4.55 0.05 -0.85 0.11 116.97 122.38 2k27 h TYR 95 Ca 0.22 0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.68 2k27 h TYR 95 Cb -0.08 -0.18 0.04 0.00 1.01 0.00 0.00 36.73 37.52 2k27 h TYR 95 CO -0.03 0.32 -1.42 0.87 -1.05 0.00 0.00 178.16 176.85 2k27 h LYS 96 N 0.56 0.54 -0.79 4.88 6.56 -0.93 -0.74 116.57 126.65 2k27 h LYS 96 Ca 0.16 -0.88 0.09 0.00 -1.06 0.00 0.00 60.65 58.97 2k27 h LYS 96 Cb -0.02 0.32 -0.07 0.00 -0.57 0.00 0.00 32.23 31.89 2k27 h LYS 96 CO -0.04 1.42 0.44 0.00 -2.06 0.00 0.00 179.45 179.21 2k27 h ARG 97 N 0.17 0.71 0.35 3.15 3.08 -0.48 -1.45 114.38 119.91 2k27 h ARG 97 Ca -0.24 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 2k27 h ARG 97 Cb 2.11 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 32.00 2k27 h ARG 97 CO 0.27 0.47 -0.17 1.96 -1.07 0.00 0.00 179.97 181.43 2k27 h GLN 98 N 0.74 -0.45 -3.15 0.04 1.08 -0.85 -3.41 115.11 109.09 2k27 h GLN 98 Ca 0.38 0.03 -0.62 0.00 -1.45 0.00 0.00 58.65 56.99 2k27 h GLN 98 Cb 0.36 0.10 -0.42 0.00 -0.05 0.00 0.00 27.48 27.48 2k27 h GLN 98 CO -0.25 -0.30 -0.59 -0.80 -0.95 0.00 0.00 178.83 175.94 2k27 s ASN 99 N -3.44 4.70 0.24 1.46 0.01 -0.29 -4.94 114.94 112.68 2k27 s ASN 99 Ca -0.07 -3.65 0.03 0.00 -0.71 0.00 0.00 52.86 48.46 2k27 s ASN 99 Cb 0.01 -1.63 0.28 0.00 0.41 0.00 0.00 41.25 40.31 2k27 s ASN 99 CO 0.21 -0.12 1.59 1.55 -1.51 0.00 0.00 177.10 178.82 2k27 h PRO 100 N 5.66 0.33 -0.79 -0.60 0.13 -1.49 -3.08 132.00 132.15 2k27 h PRO 100 Ca 0.09 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 2k27 h PRO 100 Cb 0.79 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 2k27 h PRO 100 CO 0.71 0.77 0.35 1.79 -0.23 0.00 0.00 178.00 181.39 2k27 h THR 101 N 0.26 1.26 -4.28 1.56 1.35 -1.92 -3.44 112.91 107.69 2k27 h THR 101 Ca 0.01 -0.77 -0.52 0.00 -0.55 0.00 0.00 66.41 64.59 2k27 h THR 101 Cb 1.00 0.27 0.13 0.00 -1.73 0.00 0.00 68.15 67.83 2k27 h THR 101 CO 0.09 0.32 0.32 -0.04 -0.25 0.00 0.00 175.52 175.96 2k27 s MET 102 N -5.59 2.21 0.20 4.72 -1.94 -1.17 -5.05 119.30 112.69 2k27 s MET 102 Ca -0.12 1.29 0.09 0.00 -1.71 0.00 0.00 55.69 55.24 2k27 s MET 102 Cb 0.16 -1.88 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 2k27 s MET 102 CO 0.83 -1.69 -0.08 0.12 -0.01 0.00 0.00 175.02 174.19 2k27 s PHE 103 N -2.71 2.64 0.25 -0.03 2.19 -1.26 -5.01 117.98 114.06 2k27 s PHE 103 Ca 0.64 -0.22 -0.03 0.00 0.33 0.00 0.00 56.93 57.65 2k27 s PHE 103 Cb -0.19 -1.27 0.47 0.00 -1.31 0.00 0.00 43.02 40.72 2k27 s PHE 103 CO 0.53 0.54 1.79 0.00 1.83 0.00 0.00 175.22 179.90 2k27 h ALA 104 N 2.71 1.23 -0.66 11.12 0.00 -1.96 -1.12 119.26 130.58 2k27 h ALA 104 Ca -0.46 0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.61 2k27 h ALA 104 Cb 1.21 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 2k27 h ALA 104 CO 0.56 0.01 0.26 -1.49 0.00 0.00 0.00 179.25 178.59 2k27 h TRP 105 N 0.71 0.46 -0.03 0.00 6.55 -1.96 0.13 115.95 121.80 2k27 h TRP 105 Ca 0.43 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 60.26 2k27 h TRP 105 Cb 0.51 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.71 2k27 h TRP 105 CO -0.07 0.11 -0.16 0.93 -1.05 0.00 0.00 178.44 178.19 2k27 h GLU 106 N 0.44 0.16 0.00 0.49 5.08 -1.83 -3.29 114.58 115.63 2k27 h GLU 106 Ca 0.34 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2k27 h GLU 106 Cb 0.45 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k27 h GLU 106 CO -0.33 0.80 0.00 -0.89 -1.00 0.00 0.00 179.01 177.59 2k27 n ILE 107 N -4.60 1.04 -0.34 3.13 5.41 -0.48 -1.11 119.36 122.42 2k27 n ILE 107 Ca -0.09 0.31 0.03 0.00 1.00 0.00 0.00 62.75 64.00 2k27 n ILE 107 Cb 0.42 -1.17 0.09 0.00 -0.71 0.00 0.00 39.64 38.27 2k27 n ILE 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2k27 n ARG 108 N -1.84 -0.14 0.07 0.38 0.63 -0.01 -1.44 116.66 114.31 2k27 n ARG 108 Ca 0.02 1.43 0.13 0.00 -0.92 0.00 0.00 57.85 58.52 2k27 n ARG 108 Cb 0.16 -2.14 0.48 0.00 0.45 0.00 0.00 32.46 31.42 2k27 n ARG 108 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2k27 n ASP 109 N -5.44 0.51 0.14 6.15 8.00 -0.26 -2.84 116.55 122.81 2k27 n ASP 109 Ca 0.12 0.55 -0.00 0.00 0.71 0.00 0.00 54.79 56.17 2k27 n ASP 109 Cb 0.42 -0.69 0.19 0.00 -0.02 0.00 0.00 41.12 41.02 2k27 n ASP 109 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2k27 h ARG 110 N 0.00 0.00 -0.64 -1.24 2.43 -1.38 -0.54 114.38 113.01 2k27 h ARG 110 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2k27 h ARG 110 Cb 0.63 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 2k27 h ARG 110 CO 0.00 0.59 0.36 -0.07 -1.51 0.00 0.00 179.97 179.34 2k27 h LEU 111 N 0.00 0.55 0.15 3.80 3.38 -1.49 -1.07 115.31 120.64 2k27 h LEU 111 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2k27 h LEU 111 Cb 1.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2k27 h LEU 111 CO 0.08 0.37 -0.07 -0.07 0.09 0.00 0.00 178.44 178.83 2k27 h LEU 112 N 0.68 -0.17 -0.65 1.67 3.38 -1.59 -0.42 115.31 118.22 2k27 h LEU 112 Ca 0.28 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2k27 h LEU 112 Cb 0.13 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2k27 h LEU 112 CO -0.16 0.18 0.41 0.00 0.09 0.00 0.00 178.44 178.97 2k27 h ALA 113 N 0.25 0.84 0.00 1.53 0.00 -0.98 -1.47 119.26 119.43 2k27 h ALA 113 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2k27 h ALA 113 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k27 h ALA 113 CO 0.03 0.20 -0.30 1.49 0.00 0.00 0.00 179.25 180.67 2k27 h GLU 114 N 0.83 0.00 -0.83 0.00 4.81 -1.28 -3.48 114.58 114.63 2k27 h GLU 114 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2k27 h GLU 114 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k27 h GLU 114 CO -0.08 0.30 0.00 0.41 -0.73 0.00 0.00 179.01 178.91 2k27 n GLY 115 N -0.01 0.55 0.14 1.92 0.00 -0.55 -5.03 105.19 102.20 2k27 n GLY 115 Ca -0.01 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2k27 n GLY 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k27 n VAL 116 N -0.55 1.74 -3.81 1.61 0.31 -0.19 -5.05 118.33 112.39 2k27 n VAL 116 Ca 0.00 -0.61 -0.07 0.00 -0.01 0.00 0.00 64.34 63.65 2k27 n VAL 116 Cb 0.23 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.42 2k27 n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k27 s ASP 118 N -2.90 5.29 0.50 0.00 1.01 -1.26 -4.25 116.67 115.05 2k27 s ASP 118 Ca 0.10 0.31 0.19 0.00 0.71 0.00 0.00 52.55 53.87 2k27 s ASP 118 Cb -0.05 -1.21 1.24 0.00 1.01 0.00 0.00 42.92 43.91 2k27 s ASP 118 CO 0.05 -1.19 2.03 -0.55 0.21 0.00 0.00 175.17 175.72 2k27 h ASN 119 N -0.12 0.12 0.05 0.27 -1.07 -1.98 -1.33 115.58 111.52 2k27 h ASN 119 Ca -0.44 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 55.56 2k27 h ASN 119 Cb 1.29 -0.02 -0.05 0.00 -2.07 0.00 0.00 38.32 37.47 2k27 h ASN 119 CO 0.57 0.08 -2.17 0.47 0.07 0.00 0.00 177.43 176.45 2k27 n ASP 120 N -4.45 2.02 0.27 6.14 8.00 -1.26 -4.47 116.55 122.80 2k27 n ASP 120 Ca 0.06 0.12 0.16 0.00 0.71 0.00 0.00 54.79 55.84 2k27 n ASP 120 Cb 0.39 -0.70 0.69 0.00 -0.02 0.00 0.00 41.12 41.48 2k27 n ASP 120 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k27 h THR 121 N -0.24 0.19 -1.58 -3.53 1.35 -1.87 -3.45 112.91 103.79 2k27 h THR 121 Ca -0.51 -0.61 -0.70 0.00 -0.55 0.00 0.00 66.41 64.04 2k27 h THR 121 Cb 1.84 1.50 0.06 0.00 -1.73 0.00 0.00 68.15 69.82 2k27 h THR 121 CO -0.09 0.06 0.37 0.55 -0.25 0.00 0.00 175.52 176.16 2k27 n VAL 122 N -3.22 0.08 -1.10 6.82 3.14 -0.53 -4.88 118.33 118.64 2k27 n VAL 122 Ca -0.00 -0.02 -0.29 0.00 -2.96 0.00 0.00 64.34 61.07 2k27 n VAL 122 Cb 0.30 -0.68 0.20 0.00 -1.06 0.00 0.00 33.84 32.60 2k27 n VAL 122 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2k27 s PRO 123 N 0.33 -0.01 -0.11 1.45 0.04 -1.26 -4.89 135.00 130.55 2k27 s PRO 123 Ca 0.85 0.43 -0.39 0.00 0.04 0.00 0.00 61.00 61.93 2k27 s PRO 123 Cb -1.00 -1.69 -0.17 0.00 0.04 0.00 0.00 34.50 31.68 2k27 s PRO 123 CO 0.49 -3.01 1.52 0.43 0.04 0.00 0.00 177.00 176.47 2k27 n SER 124 N -4.36 1.85 -0.30 6.66 7.64 -1.26 -4.88 113.62 118.98 2k27 n SER 124 Ca 0.06 1.11 -0.01 0.00 1.01 0.00 0.00 58.87 61.03 2k27 n SER 124 Cb 0.57 -1.14 0.11 0.00 -1.01 0.00 0.00 64.21 62.75 2k27 n SER 124 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2k27 h VAL 125 N 4.24 1.09 -0.67 0.44 2.07 -1.96 -1.00 116.25 120.45 2k27 h VAL 125 Ca -0.47 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 66.83 2k27 h VAL 125 Cb 1.34 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2k27 h VAL 125 CO 0.86 0.18 0.45 0.28 0.02 0.00 0.00 177.57 179.36 2k27 h SER 126 N 0.98 0.39 0.04 0.57 0.02 -1.98 -1.60 113.55 111.97 2k27 h SER 126 Ca 0.34 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2k27 h SER 126 Cb 0.08 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2k27 h SER 126 CO -0.14 0.22 -0.02 -1.28 -1.14 0.00 0.00 176.83 174.47 2k27 h SER 127 N 0.43 -0.05 -0.36 3.07 0.87 -1.55 -1.39 113.55 114.58 2k27 h SER 127 Ca 0.32 -0.57 0.01 0.00 -1.23 0.00 0.00 61.79 60.32 2k27 h SER 127 Cb 0.66 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 2k27 h SER 127 CO -0.10 0.58 0.24 0.16 -0.53 0.00 0.00 176.83 177.18 2k27 h ILE 128 N -0.71 1.07 0.58 2.23 3.07 -1.41 -2.81 117.51 119.54 2k27 h ILE 128 Ca -0.01 -0.16 -0.03 0.00 1.55 0.00 0.00 64.86 66.22 2k27 h ILE 128 Cb 0.62 0.58 0.01 0.00 -0.27 0.00 0.00 36.82 37.75 2k27 h ILE 128 CO 0.01 0.08 -0.28 -1.13 -1.05 0.00 0.00 178.15 175.79 2k27 h ASN 129 N 0.46 -0.66 0.26 2.16 -0.73 -1.24 -3.28 115.58 112.55 2k27 h ASN 129 Ca 0.13 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.27 2k27 h ASN 129 Cb -0.01 0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.75 2k27 h ASN 129 CO -0.03 -0.34 0.00 -2.11 -0.37 0.00 0.00 177.43 174.59 2k27 n ARG 130 N -5.35 0.11 0.09 6.67 -4.01 -0.53 -2.77 116.66 110.87 2k27 n ARG 130 Ca -0.12 0.22 -0.12 0.00 -1.04 0.00 0.00 57.85 56.79 2k27 n ARG 130 Cb 0.34 -1.50 -0.05 0.00 -3.04 0.00 0.00 32.46 28.21 2k27 n ARG 130 CO 0.00 0.00 0.00 0.82 -3.04 0.00 0.00 177.63 175.41 2k27 h ILE 131 N 0.00 0.44 -0.76 8.89 1.08 -1.58 0.16 117.51 125.74 2k27 h ILE 131 Ca 0.00 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.65 2k27 h ILE 131 Cb 0.13 0.44 -0.12 0.00 -3.07 0.00 0.00 36.82 34.20 2k27 h ILE 131 CO 0.00 0.00 0.13 0.40 -0.69 0.00 0.00 178.15 177.99 2k27 h ILE 132 N -0.43 0.42 0.02 -0.67 2.04 -1.74 -1.07 117.51 116.08 2k27 h ILE 132 Ca 0.04 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2k27 h ILE 132 Cb 0.48 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2k27 h ILE 132 CO -0.17 0.04 -0.01 0.03 0.00 0.00 0.00 178.15 178.04 2k27 h ARG 133 N 0.20 -0.03 -0.24 2.37 2.47 -1.61 -0.81 114.38 116.73 2k27 h ARG 133 Ca 0.44 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.23 2k27 h ARG 133 Cb 0.78 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.10 2k27 h ARG 133 CO -0.59 0.50 0.21 1.79 0.56 0.00 0.00 179.97 182.44 2k27 h THR 134 N -0.58 0.64 0.29 2.04 1.35 -0.53 0.82 112.91 116.94 2k27 h THR 134 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 2k27 h THR 134 Cb 0.54 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2k27 h THR 134 CO 0.01 0.00 -0.14 0.11 -0.25 0.00 0.00 175.52 175.24 2k27 h LYS 135 N 0.00 -0.38 -2.20 4.72 6.56 -1.14 -3.45 116.57 120.68 2k27 h LYS 135 Ca 0.11 0.03 -0.38 0.00 -1.06 0.00 0.00 60.65 59.35 2k27 h LYS 135 Cb 0.53 0.09 -0.34 0.00 -0.57 0.00 0.00 32.23 31.94 2k27 h LYS 135 CO -0.00 -0.25 -0.69 0.08 -2.06 0.00 0.00 179.45 176.53 2k27 s VAL 136 N -3.00 -0.30 -0.07 0.50 1.01 -0.32 -5.04 120.40 113.19 2k27 s VAL 136 Ca -0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 2k27 s VAL 136 Cb 0.01 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.53 2k27 s VAL 136 CO 0.17 -0.58 1.92 0.00 0.00 0.00 0.00 175.10 176.61 2k27 n GLN 137 N 4.88 1.17 -3.36 2.72 0.00 0.16 -4.30 117.38 118.65 2k27 n GLN 137 Ca 0.03 -0.34 -0.41 0.00 0.00 0.00 0.00 57.00 56.28 2k27 n GLN 137 Cb 0.45 -1.13 -0.09 0.00 0.00 0.00 0.00 30.24 29.46 2k27 n GLN 137 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2k27 s GLN 138 N -0.39 3.59 -0.12 2.61 -0.21 -1.26 -5.05 119.66 118.82 2k27 s GLN 138 Ca 0.07 -0.34 -0.29 0.00 0.02 0.00 0.00 55.36 54.81 2k27 s GLN 138 Cb 0.05 -3.80 -0.02 0.00 1.00 0.00 0.00 33.01 30.24 2k27 s GLN 138 CO 0.00 -0.55 1.27 -1.25 -2.12 0.00 0.00 175.29 172.64 2k27 s PRO 139 N 2.11 4.26 -1.32 2.91 0.04 -1.26 -4.94 135.00 136.81 2k27 s PRO 139 Ca 0.13 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 2k27 s PRO 139 Cb -0.16 -3.71 0.14 0.00 0.04 0.00 0.00 34.50 30.80 2k27 s PRO 139 CO 0.12 -0.64 1.92 1.19 0.04 0.00 0.00 177.00 179.63 2k27 n PHE 140 N 6.21 3.28 -3.57 0.56 3.72 -1.26 -4.83 117.46 121.56 2k27 n PHE 140 Ca 0.13 -2.88 -0.13 0.00 -0.05 0.00 0.00 57.45 54.53 2k27 n PHE 140 Cb 0.45 -2.13 -0.06 0.00 -0.94 0.00 0.00 39.48 36.81 2k27 n PHE 140 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2k27 s ASN 141 N 1.65 -0.49 -0.40 4.37 4.22 -1.26 -5.14 114.94 117.88 2k27 s ASN 141 Ca 0.42 0.63 0.06 0.00 -2.14 0.00 0.00 52.86 51.84 2k27 s ASN 141 Cb 0.10 0.53 0.17 0.00 1.28 0.00 0.00 41.25 43.33 2k27 s ASN 141 CO -0.02 -0.39 0.54 -0.22 -2.04 0.00 0.00 177.10 174.98 2k27 s LEU 142 N -0.85 -0.96 -1.44 3.54 2.96 -1.26 -5.07 118.68 115.60 2k27 s LEU 142 Ca -0.04 -1.17 -0.12 0.00 -0.22 0.00 0.00 54.13 52.57 2k27 s LEU 142 Cb -0.01 1.43 0.05 0.00 0.50 0.00 0.00 46.19 48.17 2k27 s LEU 142 CO 0.03 -0.19 2.24 -0.81 -1.32 0.00 0.00 176.35 176.30 2k27 n PRO 143 N 4.22 3.13 -3.63 0.98 -0.04 -1.26 -4.84 135.00 133.56 2k27 n PRO 143 Ca 0.12 -2.77 -0.16 0.00 -0.04 0.00 0.00 63.50 60.66 2k27 n PRO 143 Cb 0.53 -3.15 -0.07 0.00 -0.04 0.00 0.00 33.50 30.76 2k27 n PRO 143 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2k27 s MET 144 N 2.43 0.87 0.01 0.54 0.00 -1.26 -5.18 119.30 116.72 2k27 s MET 144 Ca 0.48 0.14 -0.23 0.00 0.00 0.00 0.00 55.69 56.08 2k27 s MET 144 Cb 0.14 0.40 0.05 0.00 0.00 0.00 0.00 34.83 35.42 2k27 s MET 144 CO -0.07 -0.25 0.51 0.34 0.00 0.00 0.00 175.02 175.56 2k27 s ASP 145 N -1.09 -0.44 -0.19 1.11 2.15 -1.26 -5.07 116.67 111.88 2k27 s ASP 145 Ca -0.11 0.27 0.19 0.00 0.43 0.00 0.00 52.55 53.33 2k27 s ASP 145 Cb -0.02 0.47 0.41 0.00 -0.30 0.00 0.00 42.92 43.48 2k27 s ASP 145 CO 0.07 -0.65 1.21 -1.54 -0.17 0.00 0.00 175.17 174.09 2k27 n SER 146 N 0.66 0.48 -3.92 -0.34 3.41 -1.26 -5.04 113.62 107.61 2k27 n SER 146 Ca -0.19 -2.06 -0.43 0.00 -0.26 0.00 0.00 58.87 55.94 2k27 n SER 146 Cb 0.59 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2k27 n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k27 n GLY 147 N -0.50 4.57 2.41 5.00 0.00 -1.26 -4.69 105.19 110.73 2k27 n GLY 147 Ca -0.03 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 43.79 2k27 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k27 n ALA 148 N 4.28 0.88 -1.67 4.61 0.00 -1.26 -5.14 120.51 122.21 2k27 n ALA 148 Ca 0.41 -2.60 -0.29 0.00 0.00 0.00 0.00 53.44 50.95 2k27 n ALA 148 Cb 0.37 -1.02 0.10 0.00 0.00 0.00 0.00 19.45 18.90 2k27 n ALA 148 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k27 s PRO 149 N -0.63 1.86 0.00 0.00 0.04 -1.26 -5.09 135.00 129.92 2k27 s PRO 149 Ca 0.34 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.76 2k27 s PRO 149 Cb 0.22 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2k27 s PRO 149 CO -0.14 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.58 2k27 n GLY 150 N -2.52 1.46 0.00 0.56 0.00 -1.26 -5.20 105.19 98.23 2k27 n GLY 150 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2k27 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k27 n GLY 151 N -0.29 0.62 0.00 -0.02 0.00 -1.26 -5.19 105.19 99.04 2k27 n GLY 151 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2k27 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k27 n GLY 152 N -0.65 1.31 3.64 -0.02 0.00 -1.26 -5.18 105.19 103.04 2k27 n GLY 152 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 2k27 n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k27 s SER 153 N 0.00 -0.72 -0.01 1.61 1.04 -1.26 -5.18 113.70 109.18 2k27 s SER 153 Ca 0.00 1.16 -0.28 0.00 0.48 0.00 0.00 55.95 57.31 2k27 s SER 153 Cb 0.00 1.29 0.09 0.00 0.10 0.00 0.00 66.02 67.50 2k27 s SER 153 CO 0.00 -0.18 0.80 -1.38 0.98 0.00 0.00 173.24 173.46 2k27 s HIS 154 N 1.44 -0.46 0.17 5.02 -3.43 -1.26 -5.19 115.29 111.58 2k27 s HIS 154 Ca -0.09 0.51 -0.24 0.00 -0.80 0.00 0.00 55.06 54.44 2k27 s HIS 154 Cb -0.04 0.50 0.06 0.00 -1.43 0.00 0.00 32.58 31.66 2k27 s HIS 154 CO -0.17 -0.58 0.93 -3.38 -2.00 0.00 0.00 174.74 169.54 2k27 s HIS 155 N -2.45 -0.13 0.07 0.38 -3.43 -1.26 -5.19 115.29 103.27 2k27 s HIS 155 Ca -0.01 -0.20 -0.27 0.00 -0.80 0.00 0.00 55.06 53.79 2k27 s HIS 155 Cb -0.01 0.65 0.07 0.00 -1.43 0.00 0.00 32.58 31.86 2k27 s HIS 155 CO -0.04 -0.88 0.64 -1.58 -2.00 0.00 0.00 174.74 170.87 2k27 s HIS 156 N -3.36 -0.59 0.03 0.38 5.04 -1.26 -5.18 115.29 110.35 2k27 s HIS 156 Ca 0.12 0.69 -0.15 0.00 -1.54 0.00 0.00 55.06 54.18 2k27 s HIS 156 Cb -0.02 0.49 0.02 0.00 0.04 0.00 0.00 32.58 33.12 2k27 s HIS 156 CO 0.03 -0.74 0.33 -1.58 -2.34 0.00 0.00 174.74 170.44 2k27 s HIS 157 N -2.60 -0.16 0.00 3.88 2.46 -1.26 -5.18 115.29 112.43 2k27 s HIS 157 Ca -0.04 0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.58 2k27 s HIS 157 Cb -0.01 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.57 2k27 s HIS 157 CO -0.03 -0.50 0.00 -2.39 -2.47 0.00 0.00 174.74 169.36 2k27 n HIS 158 N 0.70 -3.04 1.60 3.88 1.44 -1.26 -5.39 115.22 113.15 2k27 n HIS 158 Ca -0.19 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.66 2k27 n HIS 158 Cb 0.59 0.00 0.61 0.00 0.12 0.00 0.00 29.99 31.31 2k27 n HIS 158 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25