#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 2.28 0.19 0.03 0.04 -1.26 -5.07 135.00 131.21 2k27 s PRO 2 Ca 0.00 1.18 -0.22 0.00 0.04 0.00 0.00 61.00 61.99 2k27 s PRO 2 Cb 0.00 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.70 2k27 s PRO 2 CO 0.00 -1.63 0.63 -3.38 0.04 0.00 0.00 177.00 172.66 2k27 s HIS 3 N -2.88 -0.42 0.92 0.56 -3.43 -1.26 -5.18 115.29 103.60 2k27 s HIS 3 Ca 0.61 0.14 -0.14 0.00 -0.80 0.00 0.00 55.06 54.87 2k27 s HIS 3 Cb -0.17 0.59 0.15 0.00 -1.43 0.00 0.00 32.58 31.72 2k27 s HIS 3 CO 0.56 -0.96 1.21 0.54 -2.00 0.00 0.00 174.74 174.09 2k27 s ASN 4 N -2.80 3.44 0.18 7.38 2.20 -1.26 -5.04 114.94 119.03 2k27 s ASN 4 Ca 0.04 0.64 0.00 0.00 -0.94 0.00 0.00 52.86 52.60 2k27 s ASN 4 Cb -0.02 -0.98 0.00 0.00 -2.00 0.00 0.00 41.25 38.24 2k27 s ASN 4 CO -0.07 -2.56 0.00 -0.24 -2.94 0.00 0.00 177.10 171.29 2k27 n SER 5 N -3.72 -0.29 -0.09 3.54 2.88 -1.26 -5.16 113.62 109.52 2k27 n SER 5 Ca 0.10 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2k27 n SER 5 Cb 0.60 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 2k27 n SER 5 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2k27 n ILE 6 N -3.06 0.00 -3.59 2.46 -5.35 -1.26 -4.95 119.36 103.61 2k27 n ILE 6 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 2k27 n ILE 6 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.83 2k27 n ILE 6 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2k27 s ARG 7 N 0.00 0.87 -0.30 6.28 6.06 -1.26 -5.16 118.95 125.44 2k27 s ARG 7 Ca 0.00 0.70 -0.13 0.00 -2.50 0.00 0.00 55.73 53.81 2k27 s ARG 7 Cb 0.00 0.42 0.15 0.00 0.06 0.00 0.00 34.95 35.58 2k27 s ARG 7 CO 0.00 -0.17 0.82 -1.54 -2.50 0.00 0.00 175.30 171.91 2k27 s SER 8 N -0.18 -0.85 -0.22 -2.12 1.04 -1.26 -5.18 113.70 104.94 2k27 s SER 8 Ca -0.03 1.18 -0.36 0.00 0.48 0.00 0.00 55.95 57.21 2k27 s SER 8 Cb -0.03 1.93 0.14 0.00 0.10 0.00 0.00 66.02 68.16 2k27 s SER 8 CO 0.03 -0.17 1.26 -0.83 0.98 0.00 0.00 173.24 174.51 2k27 s GLY 9 N 2.58 -0.27 0.12 7.32 0.00 -1.26 -5.19 107.32 110.62 2k27 s GLY 9 Ca -0.05 1.68 -0.24 0.00 0.00 0.00 0.00 44.72 46.11 2k27 s GLY 9 CO -0.18 0.56 0.66 -1.58 0.00 0.00 0.00 173.10 172.56 2k27 s HIS 10 N -2.31 -0.50 0.24 1.90 2.46 -1.26 -5.20 115.29 110.62 2k27 s HIS 10 Ca 0.10 0.31 -0.22 0.00 0.47 0.00 0.00 55.06 55.72 2k27 s HIS 10 Cb -0.01 0.55 0.04 0.00 -0.13 0.00 0.00 32.58 33.04 2k27 s HIS 10 CO -0.04 -0.78 0.84 0.20 -2.47 0.00 0.00 174.74 172.49 2k27 s GLY 11 N -2.68 -0.08 0.90 1.59 0.00 -1.26 -5.18 107.32 100.61 2k27 s GLY 11 Ca 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.43 2k27 s GLY 11 CO -0.12 0.08 1.11 -0.32 0.00 0.00 0.00 173.10 173.85 2k27 s GLY 12 N -2.98 1.59 0.38 0.20 0.00 -1.26 -4.99 107.32 100.26 2k27 s GLY 12 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2k27 s GLY 12 CO 0.06 0.16 0.00 -0.10 0.00 0.00 0.00 173.10 173.21 2k27 n LEU 13 N -3.79 -3.17 -4.72 0.66 -0.00 -1.26 -5.12 117.00 99.60 2k27 n LEU 13 Ca 0.06 0.72 -0.42 0.00 -0.00 0.00 0.00 56.01 56.37 2k27 n LEU 13 Cb 0.58 3.04 -0.03 0.00 -0.00 0.00 0.00 43.42 47.01 2k27 n LEU 13 CO 0.57 0.07 1.30 0.21 -0.00 0.00 0.00 177.39 179.54 2k27 s ASN 14 N -2.10 6.49 0.15 1.96 2.47 -1.26 -4.99 114.94 117.66 2k27 s ASN 14 Ca 0.00 2.73 -0.20 0.00 0.42 0.00 0.00 52.86 55.80 2k27 s ASN 14 Cb 0.00 -2.60 0.06 0.00 -1.45 0.00 0.00 41.25 37.26 2k27 s ASN 14 CO 0.00 -0.89 0.53 0.00 -3.72 0.00 0.00 177.10 173.01 2k27 s GLN 15 N 1.22 1.20 0.12 0.43 -2.07 -1.26 -5.19 119.66 114.11 2k27 s GLN 15 Ca 0.72 -0.55 0.06 0.00 -1.82 0.00 0.00 55.36 53.76 2k27 s GLN 15 Cb -0.46 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 2k27 s GLN 15 CO 0.32 -0.51 -0.13 -0.51 -1.32 0.00 0.00 175.29 173.14 2k27 s LEU 16 N -2.76 2.41 -0.11 2.60 1.43 -1.26 -5.16 118.68 115.82 2k27 s LEU 16 Ca 0.02 -0.81 -0.33 0.00 -1.03 0.00 0.00 54.13 51.97 2k27 s LEU 16 Cb 0.00 -0.51 0.13 0.00 0.03 0.00 0.00 46.19 45.84 2k27 s LEU 16 CO -0.13 -0.17 1.19 -0.83 0.23 0.00 0.00 176.35 176.65 2k27 s GLY 17 N -2.46 -0.34 -1.47 -3.19 0.00 -1.26 -4.97 107.32 93.63 2k27 s GLY 17 Ca 0.08 1.24 -0.11 0.00 0.00 0.00 0.00 44.72 45.93 2k27 s GLY 17 CO 0.03 0.38 0.99 0.61 0.00 0.00 0.00 173.10 175.11 2k27 n GLY 18 N -0.23 -0.52 3.37 0.20 0.00 -1.26 -4.92 105.19 101.83 2k27 n GLY 18 Ca -0.03 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 2k27 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k27 s ALA 19 N -3.27 1.10 0.61 4.61 0.00 -1.26 -4.93 121.76 118.61 2k27 s ALA 19 Ca 0.59 -1.67 -0.19 0.00 0.00 0.00 0.00 51.96 50.70 2k27 s ALA 19 Cb -0.28 1.30 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 2k27 s ALA 19 CO 0.73 -0.71 1.27 -0.06 0.00 0.00 0.00 175.76 176.99 2k27 s PHE 20 N -3.54 2.24 0.00 0.00 0.08 -1.26 -0.64 117.98 114.86 2k27 s PHE 20 Ca 0.35 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.88 2k27 s PHE 20 Cb 0.02 -3.62 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 2k27 s PHE 20 CO 0.19 -2.62 0.00 0.28 -0.10 0.00 0.00 175.22 172.97 2k27 n VAL 21 N -1.62 0.00 0.27 -0.44 0.31 -1.26 -4.45 118.33 111.14 2k27 n VAL 21 Ca 0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.37 2k27 n VAL 21 Cb 0.48 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.36 2k27 n VAL 21 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2k27 h ASN 22 N 0.00 -0.57 0.00 4.52 4.21 -1.94 -3.38 115.58 118.42 2k27 h ASN 22 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2k27 h ASN 22 Cb 0.00 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 2k27 h ASN 22 CO 0.00 -0.40 -0.13 1.23 -1.29 0.00 0.00 177.43 176.84 2k27 h GLY 23 N -0.70 0.00 -2.61 2.83 0.00 -1.09 -3.48 103.07 98.02 2k27 h GLY 23 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.27 2k27 h GLY 23 CO 0.11 0.00 -0.69 -0.96 0.00 0.00 0.00 176.54 175.00 2k27 n ARG 24 N -4.63 -2.86 -2.36 4.80 1.85 -0.36 -4.69 116.66 108.40 2k27 n ARG 24 Ca -0.02 2.23 -0.36 0.00 -1.00 0.00 0.00 57.85 58.70 2k27 n ARG 24 Cb 0.07 -2.80 -0.03 0.00 -1.05 0.00 0.00 32.46 28.64 2k27 n ARG 24 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2k27 s PRO 25 N -4.95 3.26 0.00 2.89 0.04 -1.26 -4.52 135.00 130.46 2k27 s PRO 25 Ca 0.00 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 59.90 2k27 s PRO 25 Cb 0.00 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2k27 s PRO 25 CO 0.00 -2.79 0.00 1.28 0.04 0.00 0.00 177.00 175.53 2k27 n LEU 26 N 10.87 0.00 0.00 -3.56 4.77 -1.26 -4.92 117.00 122.91 2k27 n LEU 26 Ca 0.40 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.13 2k27 n LEU 26 Cb 0.48 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.78 2k27 n LEU 26 CO 0.67 -0.50 0.57 -0.81 -1.33 0.00 0.00 177.39 176.00 2k27 n PRO 27 N -2.49 -2.46 -0.10 3.23 -0.04 -1.26 -4.89 135.00 126.98 2k27 n PRO 27 Ca 0.00 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 2k27 n PRO 27 Cb 0.00 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2k27 n PRO 27 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k27 n GLU 28 N -4.15 0.80 0.25 0.54 1.02 -1.26 -2.15 120.64 115.69 2k27 n GLU 28 Ca 0.13 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 2k27 n GLU 28 Cb 0.50 -1.10 0.64 0.00 -0.02 0.00 0.00 31.44 31.46 2k27 n GLU 28 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2k27 h VAL 29 N 0.46 0.63 -0.80 2.62 3.04 -1.90 -3.27 116.25 117.03 2k27 h VAL 29 Ca 0.00 -0.71 0.14 0.00 -1.01 0.00 0.00 66.70 65.12 2k27 h VAL 29 Cb 0.80 1.45 -0.09 0.00 -2.01 0.00 0.00 31.29 31.44 2k27 h VAL 29 CO 0.00 0.16 0.38 1.62 -1.01 0.00 0.00 177.57 178.72 2k27 h VAL 30 N 0.00 0.73 -0.32 1.51 3.04 -1.71 -0.09 116.25 119.42 2k27 h VAL 30 Ca -0.00 -0.20 0.07 0.00 -1.01 0.00 0.00 66.70 65.56 2k27 h VAL 30 Cb 0.44 0.11 -0.08 0.00 -2.01 0.00 0.00 31.29 29.75 2k27 h VAL 30 CO 0.02 0.10 -0.22 0.03 -1.01 0.00 0.00 177.57 176.50 2k27 h ARG 31 N 0.57 -0.18 -0.41 4.17 -0.00 -1.85 -0.66 114.38 116.01 2k27 h ARG 31 Ca 0.43 0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.92 2k27 h ARG 31 Cb 0.60 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.59 2k27 h ARG 31 CO -0.36 -0.12 0.25 1.96 0.00 0.00 0.00 179.97 181.71 2k27 h GLN 32 N -0.19 0.56 -0.67 0.04 1.08 -1.28 -1.19 115.11 113.47 2k27 h GLN 32 Ca 0.16 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2k27 h GLN 32 Cb 0.44 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 2k27 h GLN 32 CO -0.43 0.41 0.44 0.00 -0.95 0.00 0.00 178.83 178.30 2k27 h ARG 33 N 0.55 0.86 -0.20 1.46 2.47 -0.68 0.11 114.38 118.94 2k27 h ARG 33 Ca 0.15 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.83 2k27 h ARG 33 Cb -0.01 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.10 2k27 h ARG 33 CO -0.03 0.57 0.11 0.82 0.56 0.00 0.00 179.97 182.00 2k27 h ILE 34 N 0.88 1.02 0.27 2.04 1.08 -0.87 -0.72 117.51 121.21 2k27 h ILE 34 Ca 0.25 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 2k27 h ILE 34 Cb -0.07 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 2k27 h ILE 34 CO -0.07 0.04 -0.33 0.58 -0.69 0.00 0.00 178.15 177.68 2k27 h VAL 35 N 0.24 0.30 -0.53 1.67 2.07 -0.55 0.75 116.25 120.20 2k27 h VAL 35 Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.66 2k27 h VAL 35 Cb -0.00 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 2k27 h VAL 35 CO -0.04 0.00 0.24 0.44 0.02 0.00 0.00 177.57 178.23 2k27 h ASP 36 N -0.65 0.31 -0.04 0.57 3.32 -0.96 -2.46 116.42 116.51 2k27 h ASP 36 Ca -0.00 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2k27 h ASP 36 Cb 0.62 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2k27 h ASP 36 CO -0.11 0.21 -0.14 0.25 -1.72 0.00 0.00 179.24 177.73 2k27 h LEU 37 N 0.46 0.19 -2.40 1.55 5.85 -0.98 -3.21 115.31 116.77 2k27 h LEU 37 Ca 0.25 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 58.36 2k27 h LEU 37 Cb 0.21 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2k27 h LEU 37 CO -0.21 0.79 0.09 0.00 -0.34 0.00 0.00 178.44 178.77 2k27 h ALA 38 N 0.41 1.60 -0.86 1.25 0.00 -0.78 -2.03 119.26 118.85 2k27 h ALA 38 Ca -0.01 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2k27 h ALA 38 Cb 0.78 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2k27 h ALA 38 CO 0.03 -0.12 0.57 1.25 0.00 0.00 0.00 179.25 180.98 2k27 h HIS 39 N 0.00 0.56 0.00 0.00 -0.00 -1.44 -0.41 115.15 113.86 2k27 h HIS 39 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2k27 h HIS 39 Cb 0.21 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 2k27 h HIS 39 CO 0.00 0.17 0.00 -0.56 -0.00 0.00 0.00 177.93 177.54 2k27 h GLN 40 N 0.45 0.00 -2.41 5.26 3.07 -1.55 -3.47 115.11 116.46 2k27 h GLN 40 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.18 2k27 h GLN 40 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.58 2k27 h GLN 40 CO -0.17 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.16 2k27 n GLY 41 N -0.50 -0.19 2.92 0.06 0.00 -0.16 -5.11 105.19 102.20 2k27 n GLY 41 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2k27 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k27 s VAL 42 N -2.15 0.19 0.45 1.61 0.11 -1.26 -5.11 120.40 114.24 2k27 s VAL 42 Ca 0.00 -0.16 -0.21 0.00 -2.93 0.00 0.00 61.98 58.68 2k27 s VAL 42 Cb 0.00 -0.18 -0.10 0.00 -1.53 0.00 0.00 36.38 34.58 2k27 s VAL 42 CO 0.00 0.01 0.99 0.00 -3.33 0.00 0.00 175.10 172.77 2k27 s ARG 43 N -0.16 4.03 0.48 1.54 1.70 -1.26 -4.88 118.95 120.40 2k27 s ARG 43 Ca -0.00 1.24 0.17 0.00 -0.47 0.00 0.00 55.73 56.67 2k27 s ARG 43 Cb -0.02 -2.15 1.14 0.00 -0.57 0.00 0.00 34.95 33.35 2k27 s ARG 43 CO -0.00 -0.21 2.04 -1.00 -1.08 0.00 0.00 175.30 175.05 2k27 h PRO 44 N 1.77 0.00 -0.77 3.89 0.13 -2.01 -1.78 132.00 133.22 2k27 h PRO 44 Ca -0.49 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.73 2k27 h PRO 44 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2k27 h PRO 44 CO 0.60 0.13 0.50 0.00 -0.23 0.00 0.00 178.00 179.01 2k27 h ASP 46 N 0.70 0.34 -1.00 0.00 1.82 -1.72 -3.23 116.42 113.34 2k27 h ASP 46 Ca 0.35 -0.69 0.19 0.00 -0.39 0.00 0.00 57.03 56.49 2k27 h ASP 46 Cb 0.44 -0.10 -0.10 0.00 0.68 0.00 0.00 39.33 40.24 2k27 h ASP 46 CO -0.13 0.98 0.61 0.40 -1.61 0.00 0.00 179.24 179.49 2k27 h ILE 47 N -0.26 0.71 -0.41 2.25 2.04 -1.21 0.17 117.51 120.79 2k27 h ILE 47 Ca -0.03 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.65 2k27 h ILE 47 Cb 0.99 -0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2k27 h ILE 47 CO 0.06 0.14 -0.05 0.28 0.00 0.00 0.00 178.15 178.58 2k27 h SER 48 N 0.75 -0.27 1.27 1.72 0.02 -1.15 -1.97 113.55 113.92 2k27 h SER 48 Ca 0.58 0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.52 2k27 h SER 48 Cb 0.91 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2k27 h SER 48 CO -0.37 -0.09 -0.77 0.08 -1.14 0.00 0.00 176.83 174.54 2k27 h ARG 49 N 0.06 0.00 -0.20 3.45 -0.00 -1.08 0.13 114.38 116.73 2k27 h ARG 49 Ca 0.20 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 60.20 2k27 h ARG 49 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.24 2k27 h ARG 49 CO -0.38 0.42 0.06 1.96 -0.00 0.00 0.00 179.97 182.03 2k27 h GLN 50 N 0.00 0.14 -0.00 0.08 4.20 -0.95 -2.80 115.11 115.78 2k27 h GLN 50 Ca -0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2k27 h GLN 50 Cb 1.42 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.17 2k27 h GLN 50 CO 0.06 0.09 -0.19 1.28 -0.67 0.00 0.00 178.83 179.40 2k27 n LEU 51 N -5.06 0.32 -3.60 1.46 7.99 -0.76 -4.99 117.00 112.37 2k27 n LEU 51 Ca -0.03 0.17 -0.20 0.00 -0.01 0.00 0.00 56.01 55.95 2k27 n LEU 51 Cb 0.08 -0.31 0.01 0.00 -0.11 0.00 0.00 43.42 43.09 2k27 n LEU 51 CO 0.29 0.07 -0.06 -2.11 -1.51 0.00 0.00 177.39 174.07 2k27 n ARG 52 N -1.30 -1.37 -4.11 3.23 1.85 0.29 -5.04 116.66 110.23 2k27 n ARG 52 Ca 0.09 0.88 -0.10 0.00 -1.00 0.00 0.00 57.85 57.73 2k27 n ARG 52 Cb 0.32 -3.46 -0.09 0.00 -1.05 0.00 0.00 32.46 28.18 2k27 n ARG 52 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2k27 s VAL 53 N -3.08 0.09 0.29 8.89 -7.23 -0.18 -5.00 120.40 114.18 2k27 s VAL 53 Ca 0.09 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.18 2k27 s VAL 53 Cb -0.04 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.80 2k27 s VAL 53 CO 0.86 -0.42 0.99 -0.44 -0.31 0.00 0.00 175.10 175.78 2k27 s SER 54 N -3.03 7.39 0.31 4.85 0.01 -1.26 -4.57 113.70 117.41 2k27 s SER 54 Ca 0.23 2.01 0.06 0.00 1.31 0.00 0.00 55.95 59.55 2k27 s SER 54 Cb 0.06 -2.60 0.72 0.00 0.21 0.00 0.00 66.02 64.42 2k27 s SER 54 CO 0.02 -0.03 1.81 1.12 0.41 0.00 0.00 173.24 176.57 2k27 h HIS 55 N 3.67 1.02 -0.15 2.43 2.07 -1.97 -1.52 115.15 120.69 2k27 h HIS 55 Ca -0.46 0.03 0.03 0.00 -2.85 0.00 0.00 60.37 57.12 2k27 h HIS 55 Cb 1.20 -0.31 -0.03 0.00 2.57 0.00 0.00 27.41 30.84 2k27 h HIS 55 CO 0.60 0.30 -0.06 0.78 -3.07 0.00 0.00 177.93 176.49 2k27 h GLY 56 N 0.80 0.08 0.94 6.13 0.00 -2.02 -1.92 103.07 107.08 2k27 h GLY 56 Ca 0.53 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.93 2k27 h GLY 56 CO -0.31 -0.08 0.13 0.00 0.00 0.00 0.00 176.54 176.28 2k27 h VAL 58 N 0.26 0.76 -0.56 0.00 2.07 -0.84 -0.46 116.25 117.49 2k27 h VAL 58 Ca 0.08 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.66 2k27 h VAL 58 Cb 0.07 0.60 -0.11 0.00 -1.52 0.00 0.00 31.29 30.34 2k27 h VAL 58 CO -0.01 0.03 -0.13 -1.28 0.02 0.00 0.00 177.57 176.19 2k27 h SER 59 N 0.15 -0.51 -0.09 0.57 0.87 -1.28 0.06 113.55 113.33 2k27 h SER 59 Ca 0.29 0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.92 2k27 h SER 59 Cb 0.93 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2k27 h SER 59 CO -0.04 -0.18 -0.24 0.11 -0.53 0.00 0.00 176.83 175.95 2k27 h LYS 60 N 0.00 0.52 -0.55 2.24 1.57 -1.18 -2.01 116.57 117.17 2k27 h LYS 60 Ca 0.27 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2k27 h LYS 60 Cb 0.41 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2k27 h LYS 60 CO -0.57 0.72 0.13 0.82 -0.57 0.00 0.00 179.45 179.98 2k27 h ILE 61 N 0.46 1.25 0.72 1.86 1.08 -1.11 -2.96 117.51 118.80 2k27 h ILE 61 Ca 0.07 -0.88 -0.03 0.00 -0.39 0.00 0.00 64.86 63.63 2k27 h ILE 61 Cb 0.66 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 35.18 2k27 h ILE 61 CO 0.05 0.32 -0.46 -0.07 -0.69 0.00 0.00 178.15 177.30 2k27 h LEU 62 N 0.78 -1.17 -7.00 1.44 -0.00 -0.88 -3.44 115.31 105.04 2k27 h LEU 62 Ca 0.17 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 58.09 2k27 h LEU 62 Cb 0.35 0.34 -0.20 0.00 -0.00 0.00 0.00 40.66 41.15 2k27 h LEU 62 CO 0.00 -0.69 0.26 -0.83 -0.00 0.00 0.00 178.44 177.17 2k27 s GLY 63 N -1.96 -0.50 0.16 0.83 0.00 -0.77 -4.90 107.32 100.18 2k27 s GLY 63 Ca -0.17 1.59 -0.26 0.00 0.00 0.00 0.00 44.72 45.88 2k27 s GLY 63 CO 0.55 1.11 1.57 3.21 0.00 0.00 0.00 173.10 179.55 2k27 h ARG 64 N 3.24 -0.29 0.00 2.90 2.47 -1.81 -3.32 114.38 117.57 2k27 h ARG 64 Ca -0.26 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 2k27 h ARG 64 Cb 1.15 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2k27 h ARG 64 CO 0.32 -0.20 0.00 2.48 0.56 0.00 0.00 179.97 183.13 2k27 n TYR 65 N -5.41 0.00 -3.07 3.04 0.18 -1.26 -4.71 117.16 105.93 2k27 n TYR 65 Ca -0.00 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.60 2k27 n TYR 65 Cb 0.35 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.27 2k27 n TYR 65 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 2k27 n TYR 66 N 0.00 -1.83 -2.96 -3.48 9.36 -1.26 -4.85 117.16 112.13 2k27 n TYR 66 Ca 0.00 -2.68 -0.21 0.00 3.32 0.00 0.00 57.90 58.32 2k27 n TYR 66 Cb 0.00 0.58 0.02 0.00 -0.63 0.00 0.00 39.34 39.31 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 2.13 -3.88 0.00 2.98 1.02 -1.26 -4.93 120.64 116.69 2k27 n GLU 67 Ca 0.20 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 2k27 n GLU 67 Cb 0.54 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.39 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 -4.21 0.00 1.03 2.62 -2.24 -1.26 -4.45 114.28 105.77 2k27 n THR 68 Ca -0.11 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.68 2k27 n THR 68 Cb 0.61 -0.22 0.04 0.00 -2.10 0.00 0.00 70.33 68.66 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 2.50 1.08 3.82 3.38 0.00 -1.26 -4.83 105.19 109.87 2k27 n GLY 69 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.32 -0.10 -1.87 1.61 1.04 -1.26 -4.98 113.70 107.81 2k27 s SER 70 Ca 0.06 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2k27 s SER 70 Cb 0.04 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2k27 s SER 70 CO 0.02 -1.23 0.00 -0.38 0.98 0.00 0.00 173.24 172.63 2k27 n ILE 71 N -0.54 -0.51 -3.69 -1.02 5.41 -1.26 -4.43 119.36 113.32 2k27 n ILE 71 Ca -0.06 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.55 2k27 n ILE 71 Cb 0.60 -2.38 -0.08 0.00 -0.71 0.00 0.00 39.64 37.06 2k27 n ILE 71 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k27 s ARG 72 N -4.41 0.76 0.68 0.38 0.52 -1.26 -5.00 118.95 110.61 2k27 s ARG 72 Ca 0.00 0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.13 2k27 s ARG 72 Cb 0.00 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.82 2k27 s ARG 72 CO 0.00 -0.21 1.06 -1.25 0.02 0.00 0.00 175.30 174.92 2k27 s PRO 73 N -1.09 2.98 -0.41 3.54 0.04 -1.26 -5.03 135.00 133.78 2k27 s PRO 73 Ca -0.11 1.04 0.09 0.00 0.04 0.00 0.00 61.00 62.06 2k27 s PRO 73 Cb -0.04 -1.99 0.36 0.00 0.04 0.00 0.00 34.50 32.87 2k27 s PRO 73 CO 0.05 -1.07 1.06 0.41 0.04 0.00 0.00 177.00 177.50 2k27 n GLY 74 N -1.67 1.58 2.39 0.56 0.00 -1.26 -5.03 105.19 101.75 2k27 n GLY 74 Ca 0.08 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 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 0.09 4.68 0.07 1.61 0.24 -1.26 -4.68 118.33 119.08 2k27 n VAL 75 Ca 0.09 -3.28 -0.11 0.00 -2.04 0.00 0.00 64.34 59.00 2k27 n VAL 75 Cb 0.74 -2.40 -0.08 0.00 -1.47 0.00 0.00 33.84 30.62 2k27 n VAL 75 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2k27 h ILE 76 N 2.86 0.84 0.00 1.34 2.04 -2.05 -3.49 117.51 119.05 2k27 h ILE 76 Ca 0.80 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2k27 h ILE 76 Cb 0.30 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2k27 h ILE 76 CO 1.67 0.20 0.00 0.61 0.00 0.00 0.00 178.15 180.63 2k27 n GLY 77 N 0.41 1.81 3.65 5.37 0.00 -1.26 -4.94 105.19 110.23 2k27 n GLY 77 Ca -0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 2k27 n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k27 s GLY 78 N -0.53 0.23 0.39 -0.02 0.00 -1.26 -5.17 107.32 100.97 2k27 s GLY 78 Ca 0.00 3.17 -0.19 0.00 0.00 0.00 0.00 44.72 47.70 2k27 s GLY 78 CO 0.00 1.45 0.88 -1.35 0.00 0.00 0.00 173.10 174.08 2k27 s SER 79 N -0.60 6.90 -0.19 1.64 1.04 -1.26 -5.07 113.70 116.16 2k27 s SER 79 Ca 0.09 1.57 -0.09 0.00 0.48 0.00 0.00 55.95 58.00 2k27 s SER 79 Cb -0.03 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 2k27 s SER 79 CO -0.12 -0.30 0.12 -0.54 0.98 0.00 0.00 173.24 173.38 2k27 s LYS 80 N -3.08 4.04 0.64 4.02 3.01 -1.26 -5.10 119.74 122.02 2k27 s LYS 80 Ca 0.59 -0.24 -0.13 0.00 -1.01 0.00 0.00 55.97 55.19 2k27 s LYS 80 Cb -0.10 -3.34 -0.02 0.00 -1.01 0.00 0.00 37.83 33.36 2k27 s LYS 80 CO 0.15 0.36 1.05 -1.25 0.51 0.00 0.00 175.35 176.16 2k27 s PRO 81 N 0.18 3.21 -1.36 -1.68 0.04 -1.26 -4.96 135.00 129.18 2k27 s PRO 81 Ca 0.08 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.04 2k27 s PRO 81 Cb -0.11 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.51 2k27 s PRO 81 CO -0.01 -0.88 2.14 1.63 0.04 0.00 0.00 177.00 179.92 2k27 n LYS 82 N -2.59 3.63 -2.39 4.56 4.76 -1.26 -4.98 118.16 119.89 2k27 n LYS 82 Ca 0.08 -3.19 -0.41 0.00 -2.87 0.00 0.00 58.31 51.91 2k27 n LYS 82 Cb 0.53 -2.94 -0.04 0.00 -1.84 0.00 0.00 35.03 30.74 2k27 n LYS 82 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k27 s VAL 83 N 0.89 3.58 0.22 -0.18 1.01 -1.26 -5.02 120.40 119.63 2k27 s VAL 83 Ca 0.46 1.36 -0.28 0.00 0.00 0.00 0.00 61.98 63.52 2k27 s VAL 83 Cb 0.13 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2k27 s VAL 83 CO -0.04 0.23 0.88 0.00 0.00 0.00 0.00 175.10 176.17 2k27 s ALA 84 N -0.20 3.37 -0.17 5.51 0.00 -1.26 -5.07 121.76 123.95 2k27 s ALA 84 Ca 0.52 0.52 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 2k27 s ALA 84 Cb -0.32 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 19.75 2k27 s ALA 84 CO 0.37 0.24 0.68 -0.08 0.00 0.00 0.00 175.76 176.97 2k27 s THR 85 N -1.20 0.00 -1.47 0.00 -1.32 -1.26 -5.05 115.64 105.35 2k27 s THR 85 Ca 0.40 -0.01 0.17 0.00 -1.21 0.00 0.00 61.69 61.04 2k27 s THR 85 Cb -0.25 -0.97 0.31 0.00 -1.51 0.00 0.00 72.50 70.08 2k27 s THR 85 CO 0.29 -0.01 1.50 -0.81 -2.21 0.00 0.00 174.62 173.39 2k27 n PRO 86 N 1.95 0.27 0.04 7.08 -0.04 -1.26 -3.41 135.00 139.63 2k27 n PRO 86 Ca -0.16 0.12 0.22 0.00 -0.04 0.00 0.00 63.50 63.63 2k27 n PRO 86 Cb 0.56 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.25 2k27 n PRO 86 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2k27 h LYS 87 N 0.00 0.00 -0.98 0.54 5.09 -2.01 -1.36 116.57 117.85 2k27 h LYS 87 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 60.65 60.99 2k27 h LYS 87 Cb 0.15 0.00 -0.13 0.00 0.10 0.00 0.00 32.23 32.35 2k27 h LYS 87 CO 0.00 0.00 0.55 0.28 -2.09 0.00 0.00 179.45 178.19 2k27 h VAL 88 N 0.00 0.49 -0.87 0.07 2.07 -1.97 -0.45 116.25 115.60 2k27 h VAL 88 Ca 0.24 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.69 2k27 h VAL 88 Cb 1.20 -0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 2k27 h VAL 88 CO -0.00 0.09 0.50 0.58 0.02 0.00 0.00 177.57 178.76 2k27 h VAL 89 N 0.51 0.89 0.00 2.57 2.07 -1.56 0.43 116.25 121.16 2k27 h VAL 89 Ca 0.64 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.85 2k27 h VAL 89 Cb 1.26 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2k27 h VAL 89 CO -0.51 0.15 -0.15 -0.33 0.02 0.00 0.00 177.57 176.75 2k27 h GLU 90 N 0.81 0.00 -0.03 1.57 5.08 -1.26 -2.42 114.58 118.33 2k27 h GLU 90 Ca 0.43 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.57 2k27 h GLU 90 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k27 h GLU 90 CO -0.27 0.15 -0.90 0.87 -1.00 0.00 0.00 179.01 177.87 2k27 h LYS 91 N 0.00 0.48 -0.70 2.33 1.79 -0.83 0.11 116.57 119.75 2k27 h LYS 91 Ca -0.00 -0.48 0.02 0.00 -2.18 0.00 0.00 60.65 58.01 2k27 h LYS 91 Cb 0.29 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.02 2k27 h LYS 91 CO 0.02 1.12 0.45 0.82 -1.08 0.00 0.00 179.45 180.78 2k27 h ILE 92 N 0.29 1.13 -0.33 1.86 5.03 -1.27 -2.20 117.51 122.02 2k27 h ILE 92 Ca -0.07 -0.31 0.06 0.00 -0.12 0.00 0.00 64.86 64.42 2k27 h ILE 92 Cb 1.52 0.15 -0.08 0.00 -3.03 0.00 0.00 36.82 35.39 2k27 h ILE 92 CO 0.16 0.16 -0.44 1.23 -0.68 0.00 0.00 178.15 178.58 2k27 h GLY 93 N 0.89 -0.65 0.58 5.37 0.00 -0.97 -2.43 103.07 105.85 2k27 h GLY 93 Ca 0.27 0.56 0.06 0.00 0.00 0.00 0.00 47.33 48.22 2k27 h GLY 93 CO -0.09 -0.19 0.17 -0.55 0.00 0.00 0.00 176.54 175.88 2k27 h ASP 94 N -0.38 0.17 -0.18 0.19 3.32 -0.31 -0.76 116.42 118.47 2k27 h ASP 94 Ca 0.11 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2k27 h ASP 94 Cb 0.60 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2k27 h ASP 94 CO -0.53 0.13 -0.06 1.88 -1.72 0.00 0.00 179.24 178.94 2k27 h TYR 95 N 0.34 0.53 0.00 4.55 0.05 -1.27 0.80 116.97 121.97 2k27 h TYR 95 Ca 0.22 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.87 2k27 h TYR 95 Cb 0.22 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2k27 h TYR 95 CO -0.16 0.56 -0.29 0.87 -1.05 0.00 0.00 178.16 178.10 2k27 h LYS 96 N 0.47 0.00 0.00 4.88 1.57 -0.82 -1.77 116.57 120.90 2k27 h LYS 96 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2k27 h LYS 96 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2k27 h LYS 96 CO 0.02 0.29 -0.00 0.00 -0.57 0.00 0.00 179.45 179.18 2k27 h ARG 97 N 0.00 -0.01 0.17 3.15 3.08 -0.26 -1.86 114.38 118.65 2k27 h ARG 97 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2k27 h ARG 97 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2k27 h ARG 97 CO 0.04 0.85 -0.08 1.96 -1.07 0.00 0.00 179.97 181.67 2k27 h GLN 98 N -0.91 -0.21 -7.07 0.04 1.08 -0.89 -3.43 115.11 103.71 2k27 h GLN 98 Ca -0.00 0.01 -0.45 0.00 -1.45 0.00 0.00 58.65 56.77 2k27 h GLN 98 Cb 0.86 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 2k27 h GLN 98 CO 0.00 -0.14 0.35 -0.80 -0.95 0.00 0.00 178.83 177.29 2k27 s ASN 99 N -2.79 6.85 -1.04 1.46 -0.87 -0.67 -4.93 114.94 112.95 2k27 s ASN 99 Ca -0.03 1.71 -0.23 0.00 -1.57 0.00 0.00 52.86 52.74 2k27 s ASN 99 Cb 0.00 -2.54 -0.05 0.00 -0.02 0.00 0.00 41.25 38.65 2k27 s ASN 99 CO 0.10 -0.43 1.88 -2.16 -2.57 0.00 0.00 177.10 173.92 2k27 s PRO 100 N -3.24 2.72 -1.47 -0.60 0.04 -1.26 -4.14 135.00 127.05 2k27 s PRO 100 Ca 0.62 -0.80 -0.11 0.00 0.04 0.00 0.00 61.00 60.76 2k27 s PRO 100 Cb -0.10 -5.19 0.07 0.00 0.04 0.00 0.00 34.50 29.32 2k27 s PRO 100 CO 0.15 -3.42 0.78 0.25 0.04 0.00 0.00 177.00 174.80 2k27 n THR 101 N 7.66 -1.69 -0.62 1.26 -2.24 -0.70 -4.92 114.28 113.04 2k27 n THR 101 Ca 0.42 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.89 2k27 n THR 101 Cb 0.47 -2.62 0.20 0.00 -2.10 0.00 0.00 70.33 66.28 2k27 n THR 101 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2k27 n MET 102 N -4.30 -1.32 -2.67 -0.78 0.00 -1.26 -4.81 117.12 101.98 2k27 n MET 102 Ca 0.00 -0.34 -0.34 0.00 0.00 0.00 0.00 57.70 57.02 2k27 n MET 102 Cb 0.54 -2.14 -0.05 0.00 0.00 0.00 0.00 33.22 31.57 2k27 n MET 102 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2k27 s PHE 103 N -2.47 3.21 0.29 3.17 0.08 -1.26 -4.80 117.98 116.19 2k27 s PHE 103 Ca 0.65 1.61 0.03 0.00 0.12 0.00 0.00 56.93 59.34 2k27 s PHE 103 Cb -0.22 -2.98 0.63 0.00 -0.57 0.00 0.00 43.02 39.88 2k27 s PHE 103 CO 0.63 -0.44 1.81 0.00 -0.10 0.00 0.00 175.22 177.12 2k27 h ALA 104 N 1.93 1.57 -0.10 5.36 0.00 -1.96 -1.64 119.26 124.42 2k27 h ALA 104 Ca -0.49 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.51 2k27 h ALA 104 Cb 1.20 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 2k27 h ALA 104 CO 0.61 0.10 -0.29 -1.49 0.00 0.00 0.00 179.25 178.17 2k27 h TRP 105 N 0.88 -0.79 0.05 0.00 4.06 -1.96 -1.35 115.95 116.84 2k27 h TRP 105 Ca 0.53 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.52 2k27 h TRP 105 Cb 0.67 0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 29.18 2k27 h TRP 105 CO -0.01 -0.37 -0.08 0.93 -3.56 0.00 0.00 178.44 175.35 2k27 h GLU 106 N -0.38 -0.16 -0.99 0.49 4.39 -1.81 -3.25 114.58 112.86 2k27 h GLU 106 Ca 0.09 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.82 2k27 h GLU 106 Cb 0.51 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 2k27 h GLU 106 CO -0.32 -0.11 0.66 0.82 -1.16 0.00 0.00 179.01 178.90 2k27 h ILE 107 N -0.17 1.22 -0.34 3.13 2.04 -0.93 -0.59 117.51 121.87 2k27 h ILE 107 Ca 0.02 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.50 2k27 h ILE 107 Cb 0.18 -0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 35.98 2k27 h ILE 107 CO -0.05 0.24 -0.16 -0.09 0.00 0.00 0.00 178.15 178.09 2k27 h ARG 108 N 1.31 -0.09 -0.23 2.37 2.43 -1.29 -0.70 114.38 118.18 2k27 h ARG 108 Ca 0.38 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.42 2k27 h ARG 108 Cb -0.09 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2k27 h ARG 108 CO -0.10 -0.06 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.44 2k27 h ASP 109 N -0.10 0.58 -0.94 -3.80 3.32 -1.58 -3.16 116.42 110.75 2k27 h ASP 109 Ca 0.17 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.02 2k27 h ASP 109 Cb 0.36 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 2k27 h ASP 109 CO -0.40 0.93 0.59 -0.09 -1.72 0.00 0.00 179.24 178.55 2k27 h ARG 110 N 0.45 1.04 -0.98 3.56 1.12 -0.13 -0.40 114.38 119.03 2k27 h ARG 110 Ca 0.03 -0.06 0.02 0.00 -1.11 0.00 0.00 59.98 58.86 2k27 h ARG 110 Cb 0.93 -0.24 -0.05 0.00 -0.01 0.00 0.00 29.97 30.60 2k27 h ARG 110 CO 0.08 0.69 0.65 -0.07 -3.11 0.00 0.00 179.97 178.21 2k27 h LEU 111 N 1.08 1.10 -0.19 3.80 3.38 -1.13 -1.26 115.31 122.08 2k27 h LEU 111 Ca 0.41 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.26 2k27 h LEU 111 Cb 0.18 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2k27 h LEU 111 CO -0.18 0.78 -0.25 -0.07 0.09 0.00 0.00 178.44 178.81 2k27 h LEU 112 N 1.29 0.55 -0.39 1.67 3.38 -1.27 -0.04 115.31 120.49 2k27 h LEU 112 Ca 0.38 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2k27 h LEU 112 Cb -0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2k27 h LEU 112 CO -0.10 0.94 0.19 0.00 0.09 0.00 0.00 178.44 179.56 2k27 h ALA 113 N 0.62 0.48 0.00 1.53 0.00 -0.88 -1.10 119.26 119.90 2k27 h ALA 113 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k27 h ALA 113 Cb 0.81 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2k27 h ALA 113 CO 0.06 -0.17 0.00 0.93 0.00 0.00 0.00 179.25 180.06 2k27 h GLU 114 N 0.39 0.00 -1.69 0.00 4.39 -1.26 -3.47 114.58 112.95 2k27 h GLU 114 Ca 0.17 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.73 2k27 h GLU 114 Cb 0.08 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2k27 h GLU 114 CO -0.12 0.00 -0.20 0.41 -1.16 0.00 0.00 179.01 177.94 2k27 n GLY 115 N -0.19 0.23 0.12 -3.84 0.00 -0.42 -4.96 105.19 96.13 2k27 n GLY 115 Ca 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.73 1.72 -4.20 1.61 0.31 -0.08 -5.00 118.33 108.95 2k27 n VAL 116 Ca -0.05 -0.70 -0.12 0.00 -0.01 0.00 0.00 64.34 63.46 2k27 n VAL 116 Cb 0.55 -1.48 -0.10 0.00 -0.91 0.00 0.00 33.84 31.89 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 -3.12 5.64 0.51 0.00 -1.08 -1.26 -4.22 116.67 113.14 2k27 s ASP 118 Ca 0.26 -0.03 0.28 0.00 -0.52 0.00 0.00 52.55 52.54 2k27 s ASP 118 Cb 0.07 -1.53 1.40 0.00 -1.46 0.00 0.00 42.92 41.40 2k27 s ASP 118 CO 0.04 0.11 1.89 -0.55 0.52 0.00 0.00 175.17 177.18 2k27 h ASN 119 N 2.78 0.09 0.05 -0.34 -1.07 -1.95 -0.45 115.58 114.68 2k27 h ASN 119 Ca -0.47 0.01 -0.34 0.00 0.07 0.00 0.00 56.30 55.57 2k27 h ASN 119 Cb 1.18 -0.01 -0.04 0.00 -2.07 0.00 0.00 38.32 37.39 2k27 h ASN 119 CO 0.65 0.03 -1.92 0.47 0.07 0.00 0.00 177.43 176.73 2k27 n ASP 120 N -4.33 1.99 -0.03 6.14 8.00 -1.26 -4.47 116.55 122.59 2k27 n ASP 120 Ca 0.18 0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.94 2k27 n ASP 120 Cb 0.89 -0.82 0.32 0.00 -0.02 0.00 0.00 41.12 41.49 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 -0.46 1.17 -2.87 -3.53 1.35 -1.82 -3.44 112.91 103.31 2k27 h THR 121 Ca -0.47 -0.57 -0.57 0.00 -0.55 0.00 0.00 66.41 64.25 2k27 h THR 121 Cb 1.71 0.70 0.09 0.00 -1.73 0.00 0.00 68.15 68.92 2k27 h THR 121 CO -0.12 0.21 0.67 0.55 -0.25 0.00 0.00 175.52 176.58 2k27 n VAL 122 N -4.35 1.05 -1.09 6.82 3.14 -0.23 -4.94 118.33 118.73 2k27 n VAL 122 Ca 0.03 -0.26 -0.30 0.00 -2.96 0.00 0.00 64.34 60.84 2k27 n VAL 122 Cb 0.17 -1.60 0.14 0.00 -1.06 0.00 0.00 33.84 31.49 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 -0.55 1.22 0.62 1.45 0.04 -1.26 -4.99 135.00 131.52 2k27 s PRO 123 Ca 0.66 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 2k27 s PRO 123 Cb -0.61 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 2k27 s PRO 123 CO 0.50 -2.31 1.19 -1.54 0.04 0.00 0.00 177.00 174.88 2k27 s SER 124 N -3.24 5.06 0.20 6.66 1.04 -1.26 -4.91 113.70 117.25 2k27 s SER 124 Ca 0.64 2.33 -0.10 0.00 0.48 0.00 0.00 55.95 59.30 2k27 s SER 124 Cb -0.19 -2.59 0.26 0.00 0.10 0.00 0.00 66.02 63.59 2k27 s SER 124 CO 0.58 -1.68 1.75 0.58 0.98 0.00 0.00 173.24 175.45 2k27 h VAL 125 N 0.64 0.80 -0.89 5.02 2.07 -1.94 -1.75 116.25 120.20 2k27 h VAL 125 Ca -0.50 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.00 2k27 h VAL 125 Cb 1.29 0.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 2k27 h VAL 125 CO 0.54 0.08 0.51 0.28 0.02 0.00 0.00 177.57 179.00 2k27 h SER 126 N 0.42 0.71 0.00 0.57 0.02 -1.99 -1.99 113.55 111.30 2k27 h SER 126 Ca 0.29 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2k27 h SER 126 Cb 0.34 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k27 h SER 126 CO -0.28 0.37 0.00 -0.24 -1.14 0.00 0.00 176.83 175.54 2k27 n SER 127 N -4.74 0.00 -0.31 3.07 2.88 -0.68 -1.62 113.62 112.22 2k27 n SER 127 Ca 0.16 0.71 0.17 0.00 -1.33 0.00 0.00 58.87 58.58 2k27 n SER 127 Cb 0.35 -0.27 0.36 0.00 -0.75 0.00 0.00 64.21 63.90 2k27 n SER 127 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2k27 h ILE 128 N 0.00 0.33 0.35 2.46 3.07 -1.55 0.12 117.51 122.29 2k27 h ILE 128 Ca 0.00 -0.10 -0.01 0.00 1.55 0.00 0.00 64.86 66.31 2k27 h ILE 128 Cb 0.00 0.03 -0.02 0.00 -0.27 0.00 0.00 36.82 36.55 2k27 h ILE 128 CO 0.00 0.05 -0.42 -1.13 -1.05 0.00 0.00 178.15 175.60 2k27 h ASN 129 N 0.28 -1.19 -0.94 2.16 -1.24 -1.41 -1.90 115.58 111.34 2k27 h ASN 129 Ca 0.62 0.10 0.04 0.00 0.71 0.00 0.00 56.30 57.77 2k27 h ASN 129 Cb 1.31 0.40 -0.06 0.00 0.73 0.00 0.00 38.32 40.71 2k27 h ASN 129 CO -0.62 -0.53 0.61 0.03 -1.29 0.00 0.00 177.43 175.62 2k27 h ARG 130 N -0.79 1.14 0.29 6.67 3.08 0.04 0.01 114.38 124.83 2k27 h ARG 130 Ca -0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2k27 h ARG 130 Cb 0.70 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2k27 h ARG 130 CO -0.09 0.75 -0.18 0.82 -1.07 0.00 0.00 179.97 180.20 2k27 h ILE 131 N 1.17 0.62 -0.02 2.04 1.08 -0.77 -3.01 117.51 118.62 2k27 h ILE 131 Ca 0.38 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.73 2k27 h ILE 131 Cb 0.03 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 2k27 h ILE 131 CO -0.13 0.00 -0.55 0.40 -0.69 0.00 0.00 178.15 177.18 2k27 h ILE 132 N -0.46 1.39 -0.69 -0.67 2.04 -1.02 -2.93 117.51 115.16 2k27 h ILE 132 Ca -0.03 -1.88 0.10 0.00 1.00 0.00 0.00 64.86 64.06 2k27 h ILE 132 Cb 0.38 1.99 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 2k27 h ILE 132 CO 0.03 0.54 0.32 0.03 0.00 0.00 0.00 178.15 179.07 2k27 h ARG 133 N 0.04 0.52 0.00 2.37 2.47 -0.87 -0.97 114.38 117.95 2k27 h ARG 133 Ca -0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2k27 h ARG 133 Cb 0.98 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 2k27 h ARG 133 CO 0.07 0.35 0.00 0.25 0.56 0.00 0.00 179.97 181.20 2k27 n THR 134 N -4.91 0.91 0.00 2.04 -2.24 -1.11 -4.42 114.28 104.56 2k27 n THR 134 Ca 0.11 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 2k27 n THR 134 Cb 0.29 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 2k27 n THR 134 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k27 n LYS 135 N -2.16 0.00 -3.39 -0.78 4.01 -0.39 -5.05 118.16 110.40 2k27 n LYS 135 Ca 0.02 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.55 2k27 n LYS 135 Cb 0.18 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.60 2k27 n LYS 135 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2k27 s VAL 136 N 1.86 0.16 -0.97 -0.18 1.01 -1.08 -5.07 120.40 116.12 2k27 s VAL 136 Ca 0.00 -2.12 -0.24 0.00 0.00 0.00 0.00 61.98 59.63 2k27 s VAL 136 Cb 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.32 2k27 s VAL 136 CO 0.00 -1.05 1.45 -1.58 0.00 0.00 0.00 175.10 173.92 2k27 s GLN 137 N 0.56 3.48 0.35 2.72 -0.44 -1.20 -4.99 119.66 120.14 2k27 s GLN 137 Ca 0.26 -0.95 -0.29 0.00 -2.50 0.00 0.00 55.36 51.89 2k27 s GLN 137 Cb -0.07 -5.17 -0.11 0.00 -1.64 0.00 0.00 33.01 26.02 2k27 s GLN 137 CO -0.10 -2.26 1.39 -0.65 0.50 0.00 0.00 175.29 174.16 2k27 s GLN 138 N 5.19 4.25 0.86 1.67 -1.52 -1.26 -4.97 119.66 123.88 2k27 s GLN 138 Ca 0.46 2.36 -0.11 0.00 -1.95 0.00 0.00 55.36 56.12 2k27 s GLN 138 Cb -0.02 -3.03 0.11 0.00 -0.22 0.00 0.00 33.01 29.85 2k27 s GLN 138 CO -0.06 -0.34 1.10 -1.25 -0.25 0.00 0.00 175.29 174.49 2k27 s PRO 139 N -1.84 1.52 -1.58 2.91 0.04 -1.26 -4.88 135.00 129.91 2k27 s PRO 139 Ca 0.51 1.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 2k27 s PRO 139 Cb -0.43 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 2k27 s PRO 139 CO 0.57 -2.12 2.84 1.19 0.04 0.00 0.00 177.00 179.51 2k27 n PHE 140 N -3.84 2.51 -3.61 0.56 3.72 -1.26 -4.78 117.46 110.76 2k27 n PHE 140 Ca 0.08 -3.06 -0.14 0.00 -0.05 0.00 0.00 57.45 54.29 2k27 n PHE 140 Cb 0.54 -2.41 -0.07 0.00 -0.94 0.00 0.00 39.48 36.60 2k27 n PHE 140 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2k27 s ASN 141 N 1.99 -0.69 0.28 4.37 2.47 -1.26 -5.17 114.94 116.94 2k27 s ASN 141 Ca 0.66 1.22 -0.13 0.00 0.42 0.00 0.00 52.86 55.03 2k27 s ASN 141 Cb 0.18 1.19 -0.08 0.00 -1.45 0.00 0.00 41.25 41.09 2k27 s ASN 141 CO -0.07 -0.31 0.66 -1.48 -3.72 0.00 0.00 177.10 172.19 2k27 s LEU 142 N 0.02 4.11 0.79 3.21 2.34 -1.26 -5.09 118.68 122.80 2k27 s LEU 142 Ca -0.02 1.14 -0.11 0.00 0.06 0.00 0.00 54.13 55.20 2k27 s LEU 142 Cb -0.04 -3.90 0.07 0.00 -0.56 0.00 0.00 46.19 41.76 2k27 s LEU 142 CO 0.02 -0.14 1.09 -2.16 -1.06 0.00 0.00 176.35 174.10 2k27 s PRO 143 N -2.88 2.12 0.22 1.48 0.04 -1.26 -5.09 135.00 129.64 2k27 s PRO 143 Ca 0.51 0.74 0.11 0.00 0.04 0.00 0.00 61.00 62.40 2k27 s PRO 143 Cb -0.11 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2k27 s PRO 143 CO 0.19 -1.62 -0.21 -1.64 0.04 0.00 0.00 177.00 173.76 2k27 s MET 144 N -5.09 1.54 0.16 4.56 -1.94 -1.26 -5.16 119.30 112.10 2k27 s MET 144 Ca 0.61 -1.61 -0.15 0.00 -1.71 0.00 0.00 55.69 52.83 2k27 s MET 144 Cb -0.15 -1.71 0.02 0.00 2.01 0.00 0.00 34.83 35.01 2k27 s MET 144 CO 0.55 0.34 0.42 0.34 -0.01 0.00 0.00 175.02 176.66 2k27 s ASP 145 N -3.03 -0.17 -0.19 3.03 2.15 -1.26 -5.19 116.67 112.01 2k27 s ASP 145 Ca 0.24 -0.51 -0.25 0.00 0.43 0.00 0.00 52.55 52.46 2k27 s ASP 145 Cb -0.06 0.50 0.06 0.00 -0.30 0.00 0.00 42.92 43.13 2k27 s ASP 145 CO 0.11 -0.94 0.66 -0.44 -0.17 0.00 0.00 175.17 174.39 2k27 s SER 146 N -2.87 -0.67 0.00 -0.34 0.01 -1.26 -5.11 113.70 103.46 2k27 s SER 146 Ca 0.08 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2k27 s SER 146 Cb 0.01 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.35 2k27 s SER 146 CO -0.06 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2k27 n GLY 147 N 2.19 -1.86 2.44 3.44 0.00 -1.26 -5.11 105.19 105.03 2k27 n GLY 147 Ca -0.16 0.84 -0.26 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 3.12 -1.69 4.61 0.00 -1.26 -5.13 120.51 120.17 2k27 n ALA 148 Ca 0.00 -3.87 -0.29 0.00 0.00 0.00 0.00 53.44 49.28 2k27 n ALA 148 Cb 0.00 -0.86 0.16 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.21 0.79 -0.03 0.00 0.04 -1.26 -5.10 135.00 128.23 2k27 s PRO 149 Ca 0.34 -0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.03 2k27 s PRO 149 Cb 0.09 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.90 2k27 s PRO 149 CO -0.12 -2.37 1.30 0.20 0.04 0.00 0.00 177.00 176.04 2k27 s GLY 150 N -4.44 -0.15 0.00 0.56 0.00 -1.26 -5.20 107.32 96.83 2k27 s GLY 150 Ca 0.68 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2k27 s GLY 150 CO 0.53 5.54 0.00 0.61 0.00 0.00 0.00 173.10 179.77 2k27 n GLY 151 N -0.89 -1.05 3.86 0.20 0.00 -1.26 -5.20 105.19 100.85 2k27 n GLY 151 Ca 0.03 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.04 2k27 n GLY 151 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k27 s GLY 152 N 0.00 -0.29 0.23 -0.02 0.00 -1.26 -5.20 107.32 100.78 2k27 s GLY 152 Ca 0.00 0.40 -0.23 0.00 0.00 0.00 0.00 44.72 44.89 2k27 s GLY 152 CO 0.00 4.30 0.82 -0.45 0.00 0.00 0.00 173.10 177.77 2k27 s SER 153 N -3.60 -0.23 0.37 1.64 0.15 -1.26 -5.20 113.70 105.58 2k27 s SER 153 Ca 0.26 -0.52 -0.09 0.00 0.70 0.00 0.00 55.95 56.31 2k27 s SER 153 Cb 0.02 0.63 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 2k27 s SER 153 CO -0.04 -1.16 0.64 -1.38 1.20 0.00 0.00 173.24 172.51 2k27 s HIS 154 N -3.66 0.63 -0.25 3.44 -3.43 -1.26 -5.16 115.29 105.61 2k27 s HIS 154 Ca 0.11 -1.09 -0.02 0.00 -0.80 0.00 0.00 55.06 53.27 2k27 s HIS 154 Cb -0.04 0.38 0.13 0.00 -1.43 0.00 0.00 32.58 31.62 2k27 s HIS 154 CO 0.05 -1.38 0.36 -1.58 -2.00 0.00 0.00 174.74 170.18 2k27 s HIS 155 N -2.57 -0.76 -0.15 0.38 2.46 -1.26 -5.15 115.29 108.25 2k27 s HIS 155 Ca 0.23 0.64 -0.07 0.00 0.47 0.00 0.00 55.06 56.34 2k27 s HIS 155 Cb -0.03 -0.07 -0.04 0.00 -0.13 0.00 0.00 32.58 32.31 2k27 s HIS 155 CO 0.17 -0.75 0.10 -1.01 -2.47 0.00 0.00 174.74 170.77 2k27 s HIS 156 N 2.51 3.40 0.08 3.88 3.76 -1.26 -5.08 115.29 122.59 2k27 s HIS 156 Ca 0.11 0.32 -0.27 0.00 -0.15 0.00 0.00 55.06 55.08 2k27 s HIS 156 Cb -0.15 -1.99 0.08 0.00 1.11 0.00 0.00 32.58 31.63 2k27 s HIS 156 CO -0.18 0.46 1.00 -3.38 -0.85 0.00 0.00 174.74 171.79 2k27 s HIS 157 N -0.38 -0.16 0.31 1.40 -3.43 -1.26 -5.20 115.29 106.57 2k27 s HIS 157 Ca 0.10 -0.07 -0.14 0.00 -0.80 0.00 0.00 55.06 54.15 2k27 s HIS 157 Cb -0.12 0.60 0.02 0.00 -1.43 0.00 0.00 32.58 31.65 2k27 s HIS 157 CO 0.02 -0.67 0.63 -3.38 -2.00 0.00 0.00 174.74 169.33 2k27 s HIS 158 N -3.10 0.26 -2.00 0.38 -3.43 -1.26 -5.36 115.29 100.77 2k27 s HIS 158 Ca 0.11 -0.71 0.19 0.00 -0.80 0.00 0.00 55.06 53.84 2k27 s HIS 158 Cb -0.00 0.47 1.13 0.00 -1.43 0.00 0.00 32.58 32.75 2k27 s HIS 158 CO -0.01 -1.24 1.53 1.58 -2.00 0.00 0.00 174.74 174.59