#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k27 h PRO 2 N 0.00 0.35 -5.45 0.03 0.13 -2.15 -3.48 132.00 121.43 2k27 h PRO 2 Ca 0.00 -0.24 -0.04 0.00 -0.87 0.00 0.00 66.00 64.86 2k27 h PRO 2 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2k27 h PRO 2 CO 0.00 0.84 -0.21 1.58 -0.23 0.00 0.00 178.00 179.98 2k27 n HIS 3 N -4.48 -3.06 -4.07 1.56 -0.00 -1.26 -5.07 115.22 98.85 2k27 n HIS 3 Ca -0.07 1.19 -0.09 0.00 0.46 0.00 0.00 57.72 59.20 2k27 n HIS 3 Cb 0.44 -3.99 -0.11 0.00 -0.12 0.00 0.00 29.99 26.22 2k27 n HIS 3 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 2k27 s ASN 4 N -2.87 0.61 0.10 0.26 0.01 -1.26 -5.05 114.94 106.73 2k27 s ASN 4 Ca 0.07 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 2k27 s ASN 4 Cb -0.02 0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.76 2k27 s ASN 4 CO 0.77 -0.41 0.00 -1.20 -1.51 0.00 0.00 177.10 174.75 2k27 n SER 5 N 0.80 -0.65 -2.91 -1.22 7.64 -1.26 -5.11 113.62 110.90 2k27 n SER 5 Ca -0.18 0.18 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2k27 n SER 5 Cb 0.58 0.86 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 2k27 n SER 5 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2k27 n ILE 6 N -2.72-10.09 -3.06 0.44 5.41 -1.26 -4.96 119.36 103.11 2k27 n ILE 6 Ca 0.00 0.16 -0.45 0.00 1.00 0.00 0.00 62.75 63.46 2k27 n ILE 6 Cb 0.00 -6.91 -0.04 0.00 -0.71 0.00 0.00 39.64 31.98 2k27 n ILE 6 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k27 s ARG 7 N -2.83 3.21 -0.17 0.38 3.00 -1.26 -5.00 118.95 116.27 2k27 s ARG 7 Ca 0.08 -1.45 -0.14 0.00 0.00 0.00 0.00 55.73 54.23 2k27 s ARG 7 Cb -0.02 -4.40 0.05 0.00 0.00 0.00 0.00 34.95 30.58 2k27 s ARG 7 CO 0.72 -1.60 0.45 -1.54 0.00 0.00 0.00 175.30 173.33 2k27 s SER 8 N 3.49 -0.49 0.00 0.23 1.04 -1.26 -5.17 113.70 111.54 2k27 s SER 8 Ca 0.18 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2k27 s SER 8 Cb -0.18 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2k27 s SER 8 CO 0.02 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2k27 n GLY 9 N 3.23 -0.64 3.50 7.32 0.00 -1.26 -5.19 105.19 112.14 2k27 n GLY 9 Ca -0.16 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 2k27 n GLY 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k27 s HIS 10 N -2.00 -0.60 0.00 1.61 2.46 -1.26 -5.18 115.29 110.32 2k27 s HIS 10 Ca 0.00 0.85 -0.23 0.00 0.47 0.00 0.00 55.06 56.15 2k27 s HIS 10 Cb 0.00 0.46 0.05 0.00 -0.13 0.00 0.00 32.58 32.96 2k27 s HIS 10 CO 0.00 -0.66 0.51 0.20 -2.47 0.00 0.00 174.74 172.33 2k27 s GLY 11 N -1.65 -0.40 -0.30 1.59 0.00 -1.26 -5.15 107.32 100.14 2k27 s GLY 11 Ca -0.07 0.75 -0.14 0.00 0.00 0.00 0.00 44.72 45.26 2k27 s GLY 11 CO 0.03 0.45 1.13 -0.32 0.00 0.00 0.00 173.10 174.39 2k27 s GLY 12 N -1.57 -1.15 0.10 0.20 0.00 -1.26 -5.17 107.32 98.47 2k27 s GLY 12 Ca -0.09 1.97 0.10 0.00 0.00 0.00 0.00 44.72 46.70 2k27 s GLY 12 CO 0.03 4.28 -0.24 1.08 0.00 0.00 0.00 173.10 178.25 2k27 s LEU 13 N 2.59 2.42 -0.21 0.66 1.02 -1.26 -5.14 118.68 118.75 2k27 s LEU 13 Ca 0.25 -0.64 -0.18 0.00 0.02 0.00 0.00 54.13 53.58 2k27 s LEU 13 Cb 0.02 -1.35 0.06 0.00 0.02 0.00 0.00 46.19 44.94 2k27 s LEU 13 CO -0.20 0.20 0.56 0.21 0.02 0.00 0.00 176.35 177.14 2k27 s ASN 14 N -1.85 -0.62 -0.12 2.29 3.04 -1.26 -5.12 114.94 111.31 2k27 s ASN 14 Ca 0.15 1.14 -0.08 0.00 0.04 0.00 0.00 52.86 54.11 2k27 s ASN 14 Cb -0.10 1.12 -0.03 0.00 -1.54 0.00 0.00 41.25 40.71 2k27 s ASN 14 CO 0.06 -0.20 -0.15 0.00 -3.04 0.00 0.00 177.10 173.78 2k27 n GLN 15 N 3.14 0.37 0.00 0.43 1.13 -1.26 -5.06 117.38 116.13 2k27 n GLN 15 Ca -0.16 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 2k27 n GLN 15 Cb 0.56 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.39 2k27 n GLN 15 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2k27 n LEU 16 N -4.20 0.00 -2.84 1.08 4.77 -1.26 -4.98 117.00 109.57 2k27 n LEU 16 Ca -0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.85 2k27 n LEU 16 Cb 0.22 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2k27 n LEU 16 CO 0.09 0.00 0.12 0.61 -1.33 0.00 0.00 177.39 176.88 2k27 n GLY 17 N 0.00 -0.87 2.74 -0.72 0.00 -1.26 -4.72 105.19 100.36 2k27 n GLY 17 Ca 0.00 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.41 0.20 3.36 -0.02 0.00 -1.26 -3.64 105.19 102.41 2k27 n GLY 18 Ca -0.03 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 0.48 -1.16 0.04 4.61 0.00 -1.26 -4.87 121.76 119.60 2k27 s ALA 19 Ca 0.27 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 53.19 2k27 s ALA 19 Cb 0.26 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.73 2k27 s ALA 19 CO -0.16 -0.24 0.68 -0.06 0.00 0.00 0.00 175.76 175.99 2k27 s PHE 20 N -0.09 3.73 0.50 0.00 0.08 -1.26 -4.94 117.98 116.00 2k27 s PHE 20 Ca -0.03 1.36 -0.22 0.00 0.12 0.00 0.00 56.93 58.16 2k27 s PHE 20 Cb -0.03 -2.71 -0.06 0.00 -0.57 0.00 0.00 43.02 39.65 2k27 s PHE 20 CO 0.02 0.35 1.19 0.08 -0.10 0.00 0.00 175.22 176.75 2k27 s VAL 21 N -0.27 2.92 -0.19 -0.44 1.01 -1.26 -4.89 120.40 117.28 2k27 s VAL 21 Ca 0.34 0.65 -0.38 0.00 0.00 0.00 0.00 61.98 62.60 2k27 s VAL 21 Cb -0.20 -3.31 -0.14 0.00 0.00 0.00 0.00 36.38 32.73 2k27 s VAL 21 CO 0.21 -0.05 1.79 0.59 0.00 0.00 0.00 175.10 177.64 2k27 n ASN 22 N -0.85 2.82 0.00 3.32 4.13 -1.26 -1.45 115.26 121.97 2k27 n ASN 22 Ca 0.09 1.03 0.00 0.00 1.68 0.00 0.00 54.58 57.39 2k27 n ASN 22 Cb 0.48 -1.24 0.00 0.00 -1.54 0.00 0.00 39.78 37.49 2k27 n ASN 22 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k27 n GLY 23 N 4.25 0.38 3.50 7.41 0.00 -1.26 -5.01 105.19 114.46 2k27 n GLY 23 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 2k27 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k27 s ARG 24 N -0.49 3.52 -0.33 1.61 1.81 -0.53 -5.06 118.95 119.48 2k27 s ARG 24 Ca 0.00 -0.61 -0.29 0.00 -1.72 0.00 0.00 55.73 53.11 2k27 s ARG 24 Cb 0.00 -3.68 0.01 0.00 -0.45 0.00 0.00 34.95 30.83 2k27 s ARG 24 CO 0.00 -0.38 1.20 -1.25 -0.68 0.00 0.00 175.30 174.19 2k27 s PRO 25 N 1.69 3.95 -0.71 3.54 0.04 -1.26 -4.41 135.00 137.83 2k27 s PRO 25 Ca 0.06 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 62.04 2k27 s PRO 25 Cb -0.17 -3.83 0.02 0.00 0.04 0.00 0.00 34.50 30.57 2k27 s PRO 25 CO 0.09 -1.06 0.42 1.47 0.04 0.00 0.00 177.00 177.96 2k27 n LEU 26 N 7.36 -0.38 -4.62 -3.56 -0.00 -1.26 -4.95 117.00 109.59 2k27 n LEU 26 Ca 0.13 -0.79 -0.29 0.00 -0.00 0.00 0.00 56.01 55.07 2k27 n LEU 26 Cb 0.47 -1.02 0.20 0.00 -0.00 0.00 0.00 43.42 43.07 2k27 n LEU 26 CO 0.62 0.46 0.61 -2.16 -0.00 0.00 0.00 177.39 176.92 2k27 s PRO 27 N -5.84 -0.17 0.65 1.47 0.04 -1.26 -4.82 135.00 125.08 2k27 s PRO 27 Ca 0.23 0.48 0.35 0.00 0.04 0.00 0.00 61.00 62.10 2k27 s PRO 27 Cb -0.13 -1.67 1.90 0.00 0.04 0.00 0.00 34.50 34.64 2k27 s PRO 27 CO 0.62 -3.13 2.11 1.49 0.04 0.00 0.00 177.00 178.13 2k27 h GLU 28 N -2.18 0.00 -0.98 4.56 4.81 -1.93 -1.05 114.58 117.81 2k27 h GLU 28 Ca -0.56 0.00 0.28 0.00 -0.13 0.00 0.00 59.36 58.96 2k27 h GLU 28 Cb 1.33 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 2k27 h GLU 28 CO 0.54 0.00 0.72 -0.24 -0.73 0.00 0.00 179.01 179.30 2k27 h VAL 29 N 0.00 0.49 -0.90 0.32 3.04 -1.90 -1.10 116.25 116.20 2k27 h VAL 29 Ca 0.02 0.00 0.16 0.00 -1.01 0.00 0.00 66.70 65.87 2k27 h VAL 29 Cb 0.43 0.50 -0.07 0.00 -2.01 0.00 0.00 31.29 30.13 2k27 h VAL 29 CO -0.00 0.00 0.58 1.62 -1.01 0.00 0.00 177.57 178.76 2k27 h VAL 30 N 0.00 0.80 0.03 1.51 3.04 -1.50 -0.40 116.25 119.73 2k27 h VAL 30 Ca 0.47 -0.22 0.03 0.00 -1.01 0.00 0.00 66.70 65.96 2k27 h VAL 30 Cb 1.90 0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 31.23 2k27 h VAL 30 CO -0.00 0.12 -0.27 -0.09 -1.01 0.00 0.00 177.57 176.31 2k27 h ARG 31 N 0.65 -0.42 -0.03 4.17 1.12 -1.44 -1.91 114.38 116.51 2k27 h ARG 31 Ca 0.46 0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 59.28 2k27 h ARG 31 Cb 0.80 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.85 2k27 h ARG 31 CO -0.21 -0.28 -0.35 1.96 -3.11 0.00 0.00 179.97 177.98 2k27 h GLN 32 N -0.43 0.06 -0.72 0.20 1.08 -1.42 -2.12 115.11 111.76 2k27 h GLN 32 Ca 0.05 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 2k27 h GLN 32 Cb 0.51 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 2k27 h GLN 32 CO -0.22 0.41 0.26 0.07 -0.95 0.00 0.00 178.83 178.40 2k27 h ARG 33 N 0.06 1.10 -0.15 1.46 0.11 -0.65 -0.05 114.38 116.25 2k27 h ARG 33 Ca 0.01 -0.22 -0.10 0.00 0.10 0.00 0.00 59.98 59.77 2k27 h ARG 33 Cb 0.65 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2k27 h ARG 33 CO 0.05 0.92 -0.36 0.82 0.10 0.00 0.00 179.97 181.50 2k27 h ILE 34 N 1.04 1.29 0.03 0.08 1.08 -0.95 -1.30 117.51 118.78 2k27 h ILE 34 Ca 0.24 -1.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 2k27 h ILE 34 Cb 0.25 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 2k27 h ILE 34 CO -0.01 0.44 -0.01 0.58 -0.69 0.00 0.00 178.15 178.45 2k27 h VAL 35 N 0.28 1.16 -0.39 1.67 2.07 -0.92 0.50 116.25 120.61 2k27 h VAL 35 Ca 0.03 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.04 2k27 h VAL 35 Cb 0.77 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 2k27 h VAL 35 CO 0.06 0.15 -0.01 -0.78 0.02 0.00 0.00 177.57 177.01 2k27 h ASP 36 N -0.29 -0.18 0.20 0.57 3.58 -0.94 -0.54 116.42 118.82 2k27 h ASP 36 Ca -0.00 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.55 2k27 h ASP 36 Cb 0.27 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2k27 h ASP 36 CO 0.01 -0.05 -0.35 0.25 -2.88 0.00 0.00 179.24 176.21 2k27 h LEU 37 N 0.09 -1.00 -1.84 2.28 6.46 -1.22 -3.08 115.31 117.00 2k27 h LEU 37 Ca 0.19 0.11 0.03 0.00 -0.12 0.00 0.00 57.88 58.09 2k27 h LEU 37 Cb 0.28 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 2k27 h LEU 37 CO -0.33 -0.46 0.17 0.00 -0.62 0.00 0.00 178.44 177.20 2k27 h ALA 38 N -0.08 1.98 -0.01 1.25 0.00 -0.08 -0.52 119.26 121.80 2k27 h ALA 38 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k27 h ALA 38 Cb 0.63 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k27 h ALA 38 CO -0.16 -0.03 0.03 0.45 0.00 0.00 0.00 179.25 179.54 2k27 h HIS 39 N 0.20 0.00 0.00 0.00 3.86 -1.03 -0.25 115.15 117.93 2k27 h HIS 39 Ca 0.11 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2k27 h HIS 39 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2k27 h HIS 39 CO -0.00 0.00 -0.18 -0.56 0.86 0.00 0.00 177.93 178.05 2k27 h GLN 40 N 0.00 0.00 -1.82 2.45 3.07 -1.18 -3.47 115.11 114.15 2k27 h GLN 40 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 2k27 h GLN 40 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.62 2k27 h GLN 40 CO -0.00 0.18 0.00 0.41 0.09 0.00 0.00 178.83 179.51 2k27 n GLY 41 N -0.83 0.79 3.22 0.06 0.00 -0.10 -5.13 105.19 103.20 2k27 n GLY 41 Ca -0.02 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.61 1.32 0.65 1.61 0.11 -1.26 -5.13 120.40 115.09 2k27 s VAL 42 Ca 0.00 -1.46 -0.18 0.00 -2.93 0.00 0.00 61.98 57.41 2k27 s VAL 42 Cb 0.00 -1.30 -0.01 0.00 -1.53 0.00 0.00 36.38 33.54 2k27 s VAL 42 CO 0.00 -0.22 1.26 -0.13 -3.33 0.00 0.00 175.10 172.68 2k27 s ARG 43 N -1.99 2.58 0.20 1.54 1.81 -1.26 -4.87 118.95 116.97 2k27 s ARG 43 Ca 0.03 1.96 -0.07 0.00 -1.72 0.00 0.00 55.73 55.92 2k27 s ARG 43 Cb -0.09 -1.86 0.14 0.00 -0.45 0.00 0.00 34.95 32.69 2k27 s ARG 43 CO 0.03 -1.55 1.66 -1.00 -0.68 0.00 0.00 175.30 173.76 2k27 h PRO 44 N 0.48 0.98 -0.61 3.54 0.13 -2.00 -3.01 132.00 131.50 2k27 h PRO 44 Ca -0.50 -0.32 -0.09 0.00 -0.87 0.00 0.00 66.00 64.22 2k27 h PRO 44 Cb 1.32 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2k27 h PRO 44 CO 0.53 0.99 0.02 0.00 -0.23 0.00 0.00 178.00 179.30 2k27 h ASP 46 N 0.98 0.00 -0.42 0.00 1.82 -1.91 -1.49 116.42 115.40 2k27 h ASP 46 Ca 0.18 0.00 0.12 0.00 -0.39 0.00 0.00 57.03 56.94 2k27 h ASP 46 Cb 0.54 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.53 2k27 h ASP 46 CO 0.03 0.00 0.41 0.40 -1.61 0.00 0.00 179.24 178.46 2k27 h ILE 47 N 0.00 0.46 -0.63 2.25 2.04 -1.59 -1.78 117.51 118.27 2k27 h ILE 47 Ca 0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2k27 h ILE 47 Cb 0.19 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 36.86 2k27 h ILE 47 CO -0.00 0.00 -0.56 0.77 0.00 0.00 0.00 178.15 178.36 2k27 h SER 48 N 0.00 -1.96 0.44 1.72 4.64 -1.50 -1.89 113.55 115.00 2k27 h SER 48 Ca 0.20 0.27 -0.15 0.00 -0.47 0.00 0.00 61.79 61.65 2k27 h SER 48 Cb 1.01 0.83 -0.01 0.00 -0.31 0.00 0.00 62.40 63.91 2k27 h SER 48 CO -0.00 -0.33 -0.63 0.08 -0.87 0.00 0.00 176.83 175.08 2k27 h ARG 49 N -0.24 0.18 -0.20 4.77 0.11 -1.57 0.17 114.38 117.60 2k27 h ARG 49 Ca 0.10 -0.13 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2k27 h ARG 49 Cb 0.52 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 2k27 h ARG 49 CO -0.72 0.75 0.12 1.96 0.10 0.00 0.00 179.97 182.19 2k27 h GLN 50 N 0.13 0.27 -0.00 0.08 4.20 -1.47 -3.10 115.11 115.23 2k27 h GLN 50 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2k27 h GLN 50 Cb 1.14 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2k27 h GLN 50 CO 0.09 0.23 -0.64 1.28 -0.67 0.00 0.00 178.83 179.12 2k27 n LEU 51 N -4.91 0.72 -2.96 1.46 7.99 -0.73 -5.02 117.00 113.55 2k27 n LEU 51 Ca -0.03 -0.19 -0.09 0.00 -0.01 0.00 0.00 56.01 55.69 2k27 n LEU 51 Cb 0.05 -0.16 0.01 0.00 -0.11 0.00 0.00 43.42 43.21 2k27 n LEU 51 CO 0.34 0.17 0.09 0.54 -1.51 0.00 0.00 177.39 177.02 2k27 n ARG 52 N -1.42 -2.10 0.00 3.23 3.00 0.44 -5.06 116.66 114.74 2k27 n ARG 52 Ca 0.05 1.92 0.00 0.00 -0.01 0.00 0.00 57.85 59.81 2k27 n ARG 52 Cb 0.34 -5.40 0.00 0.00 0.00 0.00 0.00 32.46 27.40 2k27 n ARG 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2k27 n VAL 53 N -0.67 0.00 0.00 1.55 0.31 -0.24 -5.02 118.33 114.26 2k27 n VAL 53 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2k27 n VAL 53 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2k27 n VAL 53 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2k27 n SER 54 N 0.00 0.00 0.05 4.52 2.88 -1.26 -5.00 113.62 114.81 2k27 n SER 54 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k27 n SER 54 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k27 n SER 54 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k27 n HIS 55 N 0.00 -2.20 -0.24 0.66 -0.00 -1.26 -4.70 115.22 107.47 2k27 n HIS 55 Ca 0.00 0.33 -0.06 0.00 0.46 0.00 0.00 57.72 58.45 2k27 n HIS 55 Cb 0.00 1.08 0.04 0.00 -0.12 0.00 0.00 29.99 30.99 2k27 n HIS 55 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2k27 h GLY 56 N 0.00 1.06 2.00 1.57 0.00 -2.00 -0.08 103.07 105.62 2k27 h GLY 56 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2k27 h GLY 56 CO 0.00 0.51 0.00 0.00 0.00 0.00 0.00 176.54 177.05 2k27 h VAL 58 N 0.00 1.27 -0.91 0.00 2.07 -1.74 -3.37 116.25 113.57 2k27 h VAL 58 Ca 0.00 -2.60 0.20 0.00 0.82 0.00 0.00 66.70 65.12 2k27 h VAL 58 Cb 0.60 3.02 -0.12 0.00 -1.52 0.00 0.00 31.29 33.27 2k27 h VAL 58 CO 0.00 0.78 0.45 -1.28 0.02 0.00 0.00 177.57 177.55 2k27 h SER 59 N -0.03 0.46 -0.72 0.57 0.87 -0.88 0.65 113.55 114.48 2k27 h SER 59 Ca -0.25 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2k27 h SER 59 Cb 1.99 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.99 2k27 h SER 59 CO 0.21 0.09 0.38 0.07 -0.53 0.00 0.00 176.83 177.05 2k27 h LYS 60 N 0.51 1.03 -0.61 2.24 2.10 -1.72 -0.98 116.57 119.14 2k27 h LYS 60 Ca 0.55 -0.12 -0.05 0.00 -2.00 0.00 0.00 60.65 59.03 2k27 h LYS 60 Cb 0.98 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 32.08 2k27 h LYS 60 CO -0.47 0.77 0.20 0.82 -2.00 0.00 0.00 179.45 178.77 2k27 h ILE 61 N 1.03 1.24 0.70 0.07 1.08 -1.04 -2.78 117.51 117.81 2k27 h ILE 61 Ca 0.26 -0.82 -0.03 0.00 -0.39 0.00 0.00 64.86 63.87 2k27 h ILE 61 Cb 0.06 0.63 0.01 0.00 -3.07 0.00 0.00 36.82 34.44 2k27 h ILE 61 CO -0.04 0.31 -0.34 -0.07 -0.69 0.00 0.00 178.15 177.33 2k27 h LEU 62 N 0.86 -0.80 0.00 1.44 -0.00 -1.24 -3.47 115.31 112.11 2k27 h LEU 62 Ca 0.20 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 2k27 h LEU 62 Cb 0.28 0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2k27 h LEU 62 CO -0.01 -0.52 0.00 0.61 -0.00 0.00 0.00 178.44 178.52 2k27 n GLY 63 N -1.28 -1.09 0.06 0.83 0.00 -0.41 -4.99 105.19 98.32 2k27 n GLY 63 Ca -0.14 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.25 1.61 9.65 -1.52 -3.41 114.38 120.46 2k27 h ARG 64 Ca 0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 2k27 h ARG 64 Cb 0.00 0.00 -0.32 0.00 -1.39 0.00 0.00 29.97 28.26 2k27 h ARG 64 CO 0.00 0.45 -0.92 2.48 2.80 0.00 0.00 179.97 184.78 2k27 n TYR 65 N -4.67 0.84 -3.59 2.20 4.11 -1.26 -4.97 117.16 109.82 2k27 n TYR 65 Ca -0.07 -1.47 -0.21 0.00 -0.00 0.00 0.00 57.90 56.14 2k27 n TYR 65 Cb 0.26 -0.23 0.07 0.00 -0.00 0.00 0.00 39.34 39.45 2k27 n TYR 65 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2k27 n TYR 66 N -0.35 -2.33 -3.29 -3.48 4.01 -1.26 -3.88 117.16 106.58 2k27 n TYR 66 Ca 0.15 0.94 0.00 0.00 -0.16 0.00 0.00 57.90 58.83 2k27 n TYR 66 Cb 0.93 -4.81 0.00 0.00 -0.31 0.00 0.00 39.34 35.15 2k27 n TYR 66 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2k27 n GLU 67 N -4.46 0.00 -1.13 -0.72 1.02 -1.13 -0.56 120.64 113.67 2k27 n GLU 67 Ca -0.17 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.72 2k27 n GLU 67 Cb 0.63 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.94 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 0.00 3.56 -4.01 2.62 -2.24 -1.26 -4.56 114.28 108.39 2k27 n THR 68 Ca 0.00 -1.97 -0.30 0.00 -2.27 0.00 0.00 64.05 59.51 2k27 n THR 68 Cb 0.00 -2.28 -0.01 0.00 -2.10 0.00 0.00 70.33 65.95 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 3.02 -0.37 0.03 3.38 0.00 -0.86 -4.91 105.19 105.47 2k27 n GLY 69 Ca 0.59 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.81 2k27 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k27 n SER 70 N -2.85 1.09 -3.22 1.61 7.64 0.27 -4.54 113.62 113.63 2k27 n SER 70 Ca -0.10 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.48 2k27 n SER 70 Cb 0.58 1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 65.31 2k27 n SER 70 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2k27 n ILE 71 N -2.22 3.55 -3.75 0.44 -5.35 -1.13 -3.74 119.36 107.16 2k27 n ILE 71 Ca -0.09 -5.60 -0.29 0.00 -0.27 0.00 0.00 62.75 56.51 2k27 n ILE 71 Cb 0.59 -1.62 -0.10 0.00 -1.74 0.00 0.00 39.64 36.77 2k27 n ILE 71 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2k27 n ARG 72 N 0.11 2.11 -2.31 6.28 1.74 -1.26 -4.83 116.66 118.50 2k27 n ARG 72 Ca 0.33 -4.54 -0.38 0.00 -0.77 0.00 0.00 57.85 52.48 2k27 n ARG 72 Cb 0.37 -2.29 -0.02 0.00 -1.02 0.00 0.00 32.46 29.49 2k27 n ARG 72 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2k27 n PRO 73 N 1.69 2.62 0.00 5.56 -0.04 -1.26 -4.16 135.00 139.41 2k27 n PRO 73 Ca 0.23 -2.93 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 2k27 n PRO 73 Cb 0.37 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 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 5.40 -1.62 2.80 0.55 0.00 -1.26 -5.13 105.19 105.93 2k27 n GLY 74 Ca 0.48 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 47.04 2k27 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k27 s VAL 75 N 0.00 -0.46 0.19 1.61 0.11 -1.26 -5.14 120.40 115.45 2k27 s VAL 75 Ca 0.00 -1.02 -0.30 0.00 -2.93 0.00 0.00 61.98 57.73 2k27 s VAL 75 Cb 0.00 -0.52 -0.08 0.00 -1.53 0.00 0.00 36.38 34.25 2k27 s VAL 75 CO 0.00 -0.48 1.16 -0.63 -3.33 0.00 0.00 175.10 171.82 2k27 s ILE 76 N 1.26 3.65 0.19 7.04 1.01 -1.26 -5.01 121.20 128.07 2k27 s ILE 76 Ca 0.20 1.42 -0.23 0.00 0.00 0.00 0.00 60.65 62.04 2k27 s ILE 76 Cb -0.09 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 38.54 2k27 s ILE 76 CO -0.05 0.24 0.99 -0.83 0.00 0.00 0.00 174.94 175.29 2k27 s GLY 77 N -0.01 0.02 0.00 6.18 0.00 -1.26 -5.17 107.32 107.08 2k27 s GLY 77 Ca 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.02 2k27 s GLY 77 CO 0.37 1.34 0.00 0.61 0.00 0.00 0.00 173.10 175.41 2k27 n GLY 78 N -0.61 0.99 3.77 0.20 0.00 -1.26 -5.16 105.19 103.13 2k27 n GLY 78 Ca -0.05 0.56 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 6.31 0.11 1.61 1.04 -1.26 -5.06 113.70 116.44 2k27 s SER 79 Ca 0.00 2.24 0.03 0.00 0.48 0.00 0.00 55.95 58.70 2k27 s SER 79 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2k27 s SER 79 CO 0.00 -0.82 0.15 -0.54 0.98 0.00 0.00 173.24 173.01 2k27 s LYS 80 N -2.66 3.07 0.65 4.02 3.01 -1.26 -5.11 119.74 121.47 2k27 s LYS 80 Ca 0.62 -0.67 -0.15 0.00 -1.01 0.00 0.00 55.97 54.75 2k27 s LYS 80 Cb -0.27 -2.80 -0.01 0.00 -1.01 0.00 0.00 37.83 33.74 2k27 s LYS 80 CO 0.33 0.55 1.12 -1.25 0.51 0.00 0.00 175.35 176.60 2k27 s PRO 81 N -2.71 2.84 -1.03 -1.68 0.04 -1.26 -4.96 135.00 126.23 2k27 s PRO 81 Ca 0.32 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 2k27 s PRO 81 Cb -0.12 -1.95 0.31 0.00 0.04 0.00 0.00 34.50 32.78 2k27 s PRO 81 CO 0.24 -1.23 1.54 1.63 0.04 0.00 0.00 177.00 179.23 2k27 n LYS 82 N -2.30 4.66 -2.47 4.56 4.76 -1.26 -5.02 118.16 121.08 2k27 n LYS 82 Ca 0.11 -4.61 -0.41 0.00 -2.87 0.00 0.00 58.31 50.53 2k27 n LYS 82 Cb 0.52 -2.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.19 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 -3.32 3.67 -0.11 -0.18 1.01 -1.26 -5.02 120.40 115.18 2k27 s VAL 83 Ca 0.35 1.51 -0.26 0.00 0.00 0.00 0.00 61.98 63.57 2k27 s VAL 83 Cb 0.11 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2k27 s VAL 83 CO 0.02 0.29 0.86 0.00 0.00 0.00 0.00 175.10 176.27 2k27 s ALA 84 N -0.54 3.40 -1.08 5.51 0.00 -1.26 -4.37 121.76 123.42 2k27 s ALA 84 Ca 0.48 0.19 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 2k27 s ALA 84 Cb -0.31 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.60 2k27 s ALA 84 CO 0.37 -0.46 0.70 0.25 0.00 0.00 0.00 175.76 176.62 2k27 n THR 85 N 4.37 -4.19 0.00 0.00 -2.24 -1.26 -4.96 114.28 106.01 2k27 n THR 85 Ca 0.04 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2k27 n THR 85 Cb 0.50 -3.29 0.00 0.00 -2.10 0.00 0.00 70.33 65.44 2k27 n THR 85 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2k27 n PRO 86 N -4.10 0.00 0.14 -0.78 -0.04 -1.26 -4.07 135.00 124.89 2k27 n PRO 86 Ca -0.15 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2k27 n PRO 86 Cb 0.60 -0.66 0.52 0.00 -0.04 0.00 0.00 33.50 33.92 2k27 n PRO 86 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k27 n LYS 87 N -0.44 0.19 -0.28 0.54 4.81 -1.26 -2.50 118.16 119.22 2k27 n LYS 87 Ca 0.00 0.47 0.09 0.00 -0.87 0.00 0.00 58.31 58.01 2k27 n LYS 87 Cb 0.00 -1.91 0.23 0.00 0.02 0.00 0.00 35.03 33.37 2k27 n LYS 87 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2k27 h VAL 88 N 0.00 0.31 -0.51 3.15 2.07 -1.97 -0.13 116.25 119.17 2k27 h VAL 88 Ca 0.00 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.56 2k27 h VAL 88 Cb 0.30 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.14 2k27 h VAL 88 CO 0.00 0.03 0.07 0.58 0.02 0.00 0.00 177.57 178.27 2k27 h VAL 89 N 0.15 0.67 -0.65 2.57 2.07 -1.63 -1.63 116.25 117.81 2k27 h VAL 89 Ca 0.49 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.92 2k27 h VAL 89 Cb 0.93 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2k27 h VAL 89 CO -0.67 0.04 0.30 -0.33 0.02 0.00 0.00 177.57 176.92 2k27 h GLU 90 N 0.19 0.94 0.81 1.57 5.08 -1.25 -1.91 114.58 120.01 2k27 h GLU 90 Ca 0.26 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2k27 h GLU 90 Cb 0.37 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k27 h GLU 90 CO -0.37 0.76 -0.40 0.87 -1.00 0.00 0.00 179.01 178.88 2k27 h LYS 91 N 0.90 -1.06 -0.88 2.33 1.79 -0.44 0.02 116.57 119.23 2k27 h LYS 91 Ca 0.22 0.07 0.14 0.00 -2.18 0.00 0.00 60.65 58.90 2k27 h LYS 91 Cb 0.14 0.24 -0.15 0.00 -1.58 0.00 0.00 32.23 30.89 2k27 h LYS 91 CO -0.03 -0.70 -0.38 0.82 -1.08 0.00 0.00 179.45 178.08 2k27 h ILE 92 N -1.10 0.05 -0.25 1.86 2.04 -1.38 -1.96 117.51 116.77 2k27 h ILE 92 Ca -0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.79 2k27 h ILE 92 Cb 0.84 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 2k27 h ILE 92 CO 0.17 0.00 -0.49 1.23 0.00 0.00 0.00 178.15 179.07 2k27 h GLY 93 N -0.05 -1.14 0.49 5.37 0.00 -0.84 -1.57 103.07 105.33 2k27 h GLY 93 Ca 0.31 0.71 0.01 0.00 0.00 0.00 0.00 47.33 48.36 2k27 h GLY 93 CO -0.90 -0.22 -0.33 -0.55 0.00 0.00 0.00 176.54 174.55 2k27 h ASP 94 N -0.42 -0.94 -0.78 0.19 3.32 -0.26 0.04 116.42 117.57 2k27 h ASP 94 Ca 0.05 0.10 0.14 0.00 0.02 0.00 0.00 57.03 57.34 2k27 h ASP 94 Cb 0.56 0.34 -0.09 0.00 0.22 0.00 0.00 39.33 40.36 2k27 h ASP 94 CO -0.46 -0.43 0.34 1.88 -1.72 0.00 0.00 179.24 178.85 2k27 h TYR 95 N -0.59 0.60 -0.57 4.55 0.05 -1.34 0.25 116.97 119.91 2k27 h TYR 95 Ca 0.02 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 2k27 h TYR 95 Cb 0.60 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 2k27 h TYR 95 CO -0.27 0.11 0.17 -0.22 -1.05 0.00 0.00 178.16 176.91 2k27 h LYS 96 N 0.51 0.88 -0.10 4.88 1.63 -0.58 -1.72 116.57 122.07 2k27 h LYS 96 Ca 0.42 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 60.01 2k27 h LYS 96 Cb 0.61 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2k27 h LYS 96 CO -0.38 0.80 0.01 0.00 -3.45 0.00 0.00 179.45 176.43 2k27 h ARG 97 N 0.80 0.18 0.00 1.90 3.08 -0.04 -3.14 114.38 117.15 2k27 h ARG 97 Ca 0.18 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 2k27 h ARG 97 Cb 0.29 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2k27 h ARG 97 CO -0.00 0.41 -0.40 -0.56 -1.07 0.00 0.00 179.97 178.34 2k27 h GLN 98 N -0.08 0.00 -7.10 0.04 -0.00 -0.99 -3.42 115.11 103.56 2k27 h GLN 98 Ca 0.03 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.20 2k27 h GLN 98 Cb 0.33 0.00 0.04 0.00 -0.00 0.00 0.00 27.48 27.84 2k27 h GLN 98 CO 0.00 0.40 0.39 -0.80 -0.00 0.00 0.00 178.83 178.82 2k27 s ASN 99 N -6.67 6.17 0.00 0.06 0.01 -0.65 -5.01 114.94 108.85 2k27 s ASN 99 Ca -0.02 1.92 -0.25 0.00 -0.71 0.00 0.00 52.86 53.81 2k27 s ASN 99 Cb 0.13 -2.55 -0.15 0.00 0.41 0.00 0.00 41.25 39.08 2k27 s ASN 99 CO 0.71 -0.90 1.12 1.55 -1.51 0.00 0.00 177.10 178.06 2k27 h PRO 100 N 1.26 -0.60 0.00 -0.60 0.13 -1.82 -3.47 132.00 126.89 2k27 h PRO 100 Ca -0.49 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k27 h PRO 100 Cb 1.22 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2k27 h PRO 100 CO 0.58 -0.30 0.00 0.25 -0.23 0.00 0.00 178.00 178.31 2k27 n THR 101 N -5.23 0.00 -2.40 1.56 -2.24 -1.26 -5.03 114.28 99.67 2k27 n THR 101 Ca -0.10 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.76 2k27 n THR 101 Cb 0.30 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 2k27 n THR 101 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2k27 n MET 102 N -0.06 -1.18 -4.08 -0.78 2.81 -1.26 -4.96 117.12 107.61 2k27 n MET 102 Ca 0.00 0.78 -0.10 0.00 -1.81 0.00 0.00 57.70 56.57 2k27 n MET 102 Cb 0.00 -1.44 -0.08 0.00 -0.71 0.00 0.00 33.22 30.99 2k27 n MET 102 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2k27 s PHE 103 N -1.02 0.72 0.55 2.03 0.08 -1.26 -5.06 117.98 114.02 2k27 s PHE 103 Ca 0.00 -1.04 0.22 0.00 0.12 0.00 0.00 56.93 56.23 2k27 s PHE 103 Cb 0.00 -0.25 1.48 0.00 -0.57 0.00 0.00 43.02 43.68 2k27 s PHE 103 CO 0.00 -0.71 2.16 0.00 -0.10 0.00 0.00 175.22 176.57 2k27 h ALA 104 N 2.57 1.90 0.31 5.36 0.00 -1.96 -3.19 119.26 124.25 2k27 h ALA 104 Ca -0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k27 h ALA 104 Cb 1.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k27 h ALA 104 CO 0.49 -0.10 -0.29 -1.49 0.00 0.00 0.00 179.25 177.86 2k27 h TRP 105 N 0.00 -0.78 -0.54 0.00 6.55 -1.97 -1.06 115.95 118.15 2k27 h TRP 105 Ca 0.03 0.00 0.11 0.00 0.95 0.00 0.00 58.89 59.99 2k27 h TRP 105 Cb 0.15 0.30 -0.09 0.00 -0.86 0.00 0.00 29.16 28.66 2k27 h TRP 105 CO 0.00 -0.42 -0.05 0.93 -1.05 0.00 0.00 178.44 177.84 2k27 h GLU 106 N -0.63 0.07 -0.30 0.49 4.39 -2.00 -3.22 114.58 113.37 2k27 h GLU 106 Ca -0.02 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 2k27 h GLU 106 Cb 0.57 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2k27 h GLU 106 CO -0.05 0.04 -0.42 0.82 -1.16 0.00 0.00 179.01 178.25 2k27 h ILE 107 N 0.07 1.29 -0.69 3.13 2.04 -1.43 0.31 117.51 122.22 2k27 h ILE 107 Ca 0.27 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 2k27 h ILE 107 Cb 0.42 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2k27 h ILE 107 CO -0.50 0.52 0.38 -0.09 0.00 0.00 0.00 178.15 178.47 2k27 h ARG 108 N 0.59 0.97 -0.53 2.37 2.43 -1.24 -1.36 114.38 117.61 2k27 h ARG 108 Ca 0.03 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 2k27 h ARG 108 Cb 1.02 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 2k27 h ARG 108 CO 0.10 0.72 0.12 -0.44 -1.51 0.00 0.00 179.97 178.96 2k27 h ASP 109 N 0.95 0.81 -0.52 -3.80 3.32 -1.54 -3.26 116.42 112.37 2k27 h ASP 109 Ca 0.24 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2k27 h ASP 109 Cb 0.03 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2k27 h ASP 109 CO -0.04 0.83 0.33 -0.09 -1.72 0.00 0.00 179.24 178.55 2k27 h ARG 110 N 0.74 0.71 -0.83 3.56 2.43 -0.04 0.11 114.38 121.07 2k27 h ARG 110 Ca 0.17 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.42 2k27 h ARG 110 Cb 0.34 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.65 2k27 h ARG 110 CO 0.00 0.49 0.42 -0.07 -1.51 0.00 0.00 179.97 179.31 2k27 h LEU 111 N 0.72 0.52 0.04 3.80 3.38 -1.33 -2.02 115.31 120.43 2k27 h LEU 111 Ca 0.19 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 2k27 h LEU 111 Cb -0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.72 2k27 h LEU 111 CO -0.04 0.24 -0.29 -0.07 0.09 0.00 0.00 178.44 178.37 2k27 h LEU 112 N 0.63 0.19 -0.13 1.67 3.38 -1.25 0.36 115.31 120.16 2k27 h LEU 112 Ca 0.44 -0.92 0.04 0.00 0.09 0.00 0.00 57.88 57.53 2k27 h LEU 112 Cb 0.59 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2k27 h LEU 112 CO -0.34 1.09 -0.17 0.00 0.09 0.00 0.00 178.44 179.11 2k27 h ALA 113 N 0.10 -0.10 0.00 1.53 0.00 -0.88 -0.97 119.26 118.93 2k27 h ALA 113 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k27 h ALA 113 Cb 1.17 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2k27 h ALA 113 CO 0.06 -0.62 0.00 0.39 0.00 0.00 0.00 179.25 179.07 2k27 n GLU 114 N -5.31 0.04 -2.80 0.00 1.02 -0.77 -4.91 120.64 107.91 2k27 n GLU 114 Ca -0.03 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 2k27 n GLU 114 Cb 0.23 -1.57 0.04 0.00 -0.02 0.00 0.00 31.44 30.13 2k27 n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k27 n GLY 115 N 0.59 0.09 0.06 0.62 0.00 -0.37 -4.98 105.19 101.21 2k27 n GLY 115 Ca 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.86 0.82 -3.98 1.61 0.31 -0.01 -4.97 118.33 109.24 2k27 n VAL 116 Ca -0.11 -0.61 -0.09 0.00 -0.01 0.00 0.00 64.34 63.52 2k27 n VAL 116 Cb 0.57 -0.40 -0.11 0.00 -0.91 0.00 0.00 33.84 33.00 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 -1.50 6.16 0.44 0.00 2.15 -1.26 -4.21 116.67 118.46 2k27 s ASP 118 Ca -0.15 1.66 0.20 0.00 0.43 0.00 0.00 52.55 54.68 2k27 s ASP 118 Cb -0.10 -2.51 1.15 0.00 -0.30 0.00 0.00 42.92 41.16 2k27 s ASP 118 CO -0.01 -0.91 1.88 -0.55 -0.17 0.00 0.00 175.17 175.41 2k27 h ASN 119 N 0.50 0.32 0.00 -0.34 7.08 -1.96 -0.70 115.58 120.47 2k27 h ASN 119 Ca -0.46 0.03 -0.12 0.00 -3.08 0.00 0.00 56.30 52.66 2k27 h ASN 119 Cb 1.20 -0.03 -0.02 0.00 -2.08 0.00 0.00 38.32 37.39 2k27 h ASN 119 CO 0.60 0.14 -0.68 -0.78 -2.08 0.00 0.00 177.43 174.62 2k27 h ASP 120 N 0.32 0.00 0.99 6.14 3.58 -2.04 -3.39 116.42 122.02 2k27 h ASP 120 Ca 0.43 -0.72 -0.03 0.00 0.42 0.00 0.00 57.03 57.14 2k27 h ASP 120 Cb 1.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2k27 h ASP 120 CO -0.13 1.26 -0.12 0.71 -2.88 0.00 0.00 179.24 178.08 2k27 h THR 121 N -1.00 0.30 -2.02 2.25 1.35 -1.83 -3.45 112.91 108.52 2k27 h THR 121 Ca -0.19 -0.85 -0.64 0.00 -0.55 0.00 0.00 66.41 64.19 2k27 h THR 121 Cb 1.15 1.66 0.06 0.00 -1.73 0.00 0.00 68.15 69.29 2k27 h THR 121 CO -0.11 0.12 0.53 0.55 -0.25 0.00 0.00 175.52 176.35 2k27 n VAL 122 N -3.26 0.30 -1.49 6.82 3.14 -0.31 -4.91 118.33 118.61 2k27 n VAL 122 Ca 0.00 -0.07 -0.31 0.00 -2.96 0.00 0.00 64.34 61.00 2k27 n VAL 122 Cb 0.38 -1.10 0.06 0.00 -1.06 0.00 0.00 33.84 32.12 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 0.31 2.69 0.67 1.45 0.04 -1.26 -5.03 135.00 133.88 2k27 s PRO 123 Ca 0.79 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 2k27 s PRO 123 Cb -0.82 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 31.76 2k27 s PRO 123 CO 0.46 -1.28 1.25 -1.12 0.04 0.00 0.00 177.00 176.35 2k27 s SER 124 N -3.71 4.49 0.27 6.66 0.01 -1.26 -4.85 113.70 115.31 2k27 s SER 124 Ca 0.59 2.51 -0.00 0.00 1.31 0.00 0.00 55.95 60.35 2k27 s SER 124 Cb -0.15 -2.61 0.54 0.00 0.21 0.00 0.00 66.02 64.01 2k27 s SER 124 CO 0.55 -2.08 1.79 1.62 0.41 0.00 0.00 173.24 175.54 2k27 h VAL 125 N 0.25 0.81 -0.23 3.43 3.04 -1.95 -0.05 116.25 121.55 2k27 h VAL 125 Ca -0.50 -0.26 -0.08 0.00 -1.01 0.00 0.00 66.70 64.86 2k27 h VAL 125 Cb 1.32 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 2k27 h VAL 125 CO 0.52 0.14 -0.19 0.28 -1.01 0.00 0.00 177.57 177.31 2k27 h SER 126 N 0.76 0.40 1.39 3.17 0.02 -1.96 -1.47 113.55 115.86 2k27 h SER 126 Ca 0.47 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 61.18 2k27 h SER 126 Cb 0.59 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2k27 h SER 126 CO -0.32 0.60 -0.61 0.28 -1.14 0.00 0.00 176.83 175.64 2k27 h SER 127 N 0.37 0.00 0.23 3.07 0.02 -1.39 -0.92 113.55 114.93 2k27 h SER 127 Ca 0.06 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.69 2k27 h SER 127 Cb 0.54 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.12 2k27 h SER 127 CO 0.04 0.60 -1.41 0.16 -1.14 0.00 0.00 176.83 175.08 2k27 h ILE 128 N 0.00 1.29 -0.11 3.27 3.07 -1.32 -3.39 117.51 120.33 2k27 h ILE 128 Ca -0.01 -2.64 0.00 0.00 1.55 0.00 0.00 64.86 63.76 2k27 h ILE 128 Cb 1.47 2.98 -0.01 0.00 -0.27 0.00 0.00 36.82 40.99 2k27 h ILE 128 CO 0.08 0.79 0.07 -1.13 -1.05 0.00 0.00 178.15 176.91 2k27 h ASN 129 N 0.16 0.12 -0.17 2.16 -0.73 -1.15 -3.13 115.58 112.85 2k27 h ASN 129 Ca -0.24 -0.02 0.05 0.00 1.87 0.00 0.00 56.30 57.96 2k27 h ASN 129 Cb 2.10 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 40.66 2k27 h ASN 129 CO 0.27 0.10 0.24 0.08 -0.37 0.00 0.00 177.43 177.75 2k27 h ARG 130 N 0.13 0.00 0.46 6.67 -0.00 -1.35 -0.86 114.38 119.44 2k27 h ARG 130 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.00 2k27 h ARG 130 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2k27 h ARG 130 CO -0.01 0.00 -0.25 0.82 -0.00 0.00 0.00 179.97 180.53 2k27 h ILE 131 N 0.00 0.00 -0.86 0.08 5.03 -1.75 -1.21 117.51 118.80 2k27 h ILE 131 Ca 0.08 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.99 2k27 h ILE 131 Cb 0.56 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.24 2k27 h ILE 131 CO -0.00 0.00 0.43 0.40 -0.68 0.00 0.00 178.15 178.29 2k27 h ILE 132 N -0.65 0.66 0.54 -0.67 5.03 -1.35 -1.88 117.51 119.19 2k27 h ILE 132 Ca -0.06 -0.19 -0.03 0.00 -0.12 0.00 0.00 64.86 64.46 2k27 h ILE 132 Cb 0.51 0.05 0.01 0.00 -3.03 0.00 0.00 36.82 34.35 2k27 h ILE 132 CO 0.09 0.10 -0.26 0.03 -0.68 0.00 0.00 178.15 177.43 2k27 h ARG 133 N 0.56 -0.71 -0.60 2.37 2.47 -1.24 0.78 114.38 118.01 2k27 h ARG 133 Ca 0.49 0.05 0.06 0.00 -1.26 0.00 0.00 59.98 59.32 2k27 h ARG 133 Cb 0.77 0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.22 2k27 h ARG 133 CO -0.41 -0.46 0.40 1.79 0.56 0.00 0.00 179.97 181.85 2k27 h THR 134 N -0.75 1.01 0.03 2.04 1.35 -0.65 -1.83 112.91 114.12 2k27 h THR 134 Ca -0.07 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2k27 h THR 134 Cb 0.57 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2k27 h THR 134 CO 0.12 0.11 -0.02 0.11 -0.25 0.00 0.00 175.52 175.60 2k27 h LYS 135 N 0.59 -0.04 -2.13 4.72 6.56 -1.18 -3.45 116.57 121.64 2k27 h LYS 135 Ca 0.25 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 59.44 2k27 h LYS 135 Cb 0.25 0.01 -0.33 0.00 -0.57 0.00 0.00 32.23 31.59 2k27 h LYS 135 CO -0.07 -0.03 -0.71 0.08 -2.06 0.00 0.00 179.45 176.66 2k27 s VAL 136 N -1.86 -0.25 0.91 0.50 1.01 0.25 -5.10 120.40 115.85 2k27 s VAL 136 Ca -0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 2k27 s VAL 136 Cb 0.00 -0.82 0.14 0.00 0.00 0.00 0.00 36.38 35.70 2k27 s VAL 136 CO 0.02 -0.64 1.09 0.00 0.00 0.00 0.00 175.10 175.57 2k27 s GLN 137 N 1.57 1.13 -0.09 2.72 1.03 -0.69 -4.51 119.66 120.81 2k27 s GLN 137 Ca 0.15 0.83 0.01 0.00 0.04 0.00 0.00 55.36 56.39 2k27 s GLN 137 Cb -0.16 -1.79 -0.02 0.00 0.03 0.00 0.00 33.01 31.06 2k27 s GLN 137 CO -0.09 -2.33 -0.10 -0.65 -2.54 0.00 0.00 175.29 169.57 2k27 s GLN 138 N -4.91 2.96 0.60 9.60 -0.21 -1.26 -5.04 119.66 121.41 2k27 s GLN 138 Ca 0.64 -0.63 -0.16 0.00 0.02 0.00 0.00 55.36 55.23 2k27 s GLN 138 Cb -0.18 -2.58 -0.03 0.00 1.00 0.00 0.00 33.01 31.22 2k27 s GLN 138 CO 0.57 0.47 1.07 -1.25 -2.12 0.00 0.00 175.29 174.04 2k27 s PRO 139 N -0.32 3.23 -0.05 2.91 0.04 -1.26 -5.04 135.00 134.51 2k27 s PRO 139 Ca 0.04 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 2k27 s PRO 139 Cb -0.13 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2k27 s PRO 139 CO 0.02 -0.89 0.31 -0.06 0.04 0.00 0.00 177.00 176.43 2k27 s PHE 140 N -2.37 3.66 0.16 0.56 0.08 -1.26 -5.08 117.98 113.73 2k27 s PHE 140 Ca 0.65 0.81 -0.23 0.00 0.12 0.00 0.00 56.93 58.28 2k27 s PHE 140 Cb -0.17 -2.19 0.06 0.00 -0.57 0.00 0.00 43.02 40.15 2k27 s PHE 140 CO 0.37 0.63 0.69 0.54 -0.10 0.00 0.00 175.22 177.34 2k27 s ASN 141 N -0.90 -0.45 -0.45 1.36 4.22 -1.26 -5.12 114.94 112.33 2k27 s ASN 141 Ca 0.20 -0.16 0.06 0.00 -2.14 0.00 0.00 52.86 50.83 2k27 s ASN 141 Cb -0.15 0.59 0.21 0.00 1.28 0.00 0.00 41.25 43.18 2k27 s ASN 141 CO 0.10 -1.00 0.60 -0.11 -2.04 0.00 0.00 177.10 174.65 2k27 n LEU 142 N -0.38 -1.70 -4.71 3.54 7.94 -1.26 -5.13 117.00 115.30 2k27 n LEU 142 Ca -0.12 -3.81 -0.42 0.00 -1.11 0.00 0.00 56.01 50.55 2k27 n LEU 142 Cb 0.63 0.69 -0.03 0.00 0.53 0.00 0.00 43.42 45.24 2k27 n LEU 142 CO 0.13 1.96 1.19 -2.16 -1.11 0.00 0.00 177.39 177.39 2k27 s PRO 143 N 0.16 4.25 -0.14 1.96 0.04 -1.26 -5.00 135.00 135.01 2k27 s PRO 143 Ca 0.32 2.22 -0.14 0.00 0.04 0.00 0.00 61.00 63.44 2k27 s PRO 143 Cb 0.10 -3.36 0.04 0.00 0.04 0.00 0.00 34.50 31.32 2k27 s PRO 143 CO -0.15 -0.59 0.39 1.41 0.04 0.00 0.00 177.00 178.10 2k27 s MET 144 N 1.70 0.47 0.08 4.56 1.75 -1.26 -5.17 119.30 121.43 2k27 s MET 144 Ca 0.69 0.50 -0.08 0.00 -1.25 0.00 0.00 55.69 55.55 2k27 s MET 144 Cb -0.39 0.23 -0.01 0.00 2.84 0.00 0.00 34.83 37.50 2k27 s MET 144 CO 0.31 -0.06 0.17 0.34 -0.65 0.00 0.00 175.02 175.12 2k27 s ASP 145 N 0.12 0.15 -0.29 1.11 2.15 -1.26 -5.17 116.67 113.48 2k27 s ASP 145 Ca -0.01 -0.66 -0.16 0.00 0.43 0.00 0.00 52.55 52.15 2k27 s ASP 145 Cb -0.03 0.32 0.12 0.00 -0.30 0.00 0.00 42.92 43.03 2k27 s ASP 145 CO 0.01 -0.70 0.86 -0.94 -0.17 0.00 0.00 175.17 174.23 2k27 s SER 146 N -2.80 -0.69 -0.17 -0.34 1.04 -1.26 -5.18 113.70 104.31 2k27 s SER 146 Ca 0.04 1.10 -0.28 0.00 0.48 0.00 0.00 55.95 57.29 2k27 s SER 146 Cb 0.05 1.28 0.09 0.00 0.10 0.00 0.00 66.02 67.54 2k27 s SER 146 CO -0.10 -0.17 0.83 -0.83 0.98 0.00 0.00 173.24 173.95 2k27 s GLY 147 N 1.43 -0.41 -0.44 7.32 0.00 -1.26 -5.12 107.32 108.83 2k27 s GLY 147 Ca -0.09 1.90 0.06 0.00 0.00 0.00 0.00 44.72 46.59 2k27 s GLY 147 CO -0.17 1.31 0.61 0.00 0.00 0.00 0.00 173.10 174.85 2k27 n ALA 148 N 1.48 0.77 -1.54 3.20 0.00 -1.26 -5.15 120.51 118.01 2k27 n ALA 148 Ca -0.14 -2.39 -0.30 0.00 0.00 0.00 0.00 53.44 50.61 2k27 n ALA 148 Cb 0.57 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.03 2.42 0.00 0.00 0.04 -1.26 -5.06 135.00 131.11 2k27 s PRO 149 Ca 0.33 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2k27 s PRO 149 Cb 0.12 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2k27 s PRO 149 CO -0.16 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 175.87 2k27 n GLY 150 N -2.00 -0.79 0.00 0.56 0.00 -1.26 -5.20 105.19 96.50 2k27 n GLY 150 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.02 -1.51 3.63 -0.02 0.00 -1.26 -5.19 105.19 100.81 2k27 n GLY 151 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.36 0.14 -0.02 0.00 -1.26 -5.19 107.32 100.63 2k27 s GLY 152 Ca 0.00 0.85 -0.24 0.00 0.00 0.00 0.00 44.72 45.33 2k27 s GLY 152 CO 0.00 0.22 0.68 -0.45 0.00 0.00 0.00 173.10 173.55 2k27 s SER 153 N -2.74 -0.48 0.17 1.64 0.15 -1.26 -5.19 113.70 105.99 2k27 s SER 153 Ca 0.12 -0.08 -0.22 0.00 0.70 0.00 0.00 55.95 56.47 2k27 s SER 153 Cb 0.02 0.57 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 2k27 s SER 153 CO -0.03 -0.94 0.58 -1.38 1.20 0.00 0.00 173.24 172.66 2k27 s HIS 154 N -3.63 -0.44 -0.16 3.44 -3.43 -1.26 -5.18 115.29 104.62 2k27 s HIS 154 Ca 0.03 0.19 -0.23 0.00 -0.80 0.00 0.00 55.06 54.25 2k27 s HIS 154 Cb -0.02 0.52 0.06 0.00 -1.43 0.00 0.00 32.58 31.71 2k27 s HIS 154 CO -0.09 -0.86 0.60 -1.58 -2.00 0.00 0.00 174.74 170.81 2k27 s HIS 155 N -3.78 -0.62 -0.36 0.38 5.04 -1.26 -5.14 115.29 109.55 2k27 s HIS 155 Ca 0.02 1.36 -0.09 0.00 -1.54 0.00 0.00 55.06 54.81 2k27 s HIS 155 Cb -0.01 0.26 0.04 0.00 0.04 0.00 0.00 32.58 32.91 2k27 s HIS 155 CO -0.11 -0.41 0.17 -1.58 -2.34 0.00 0.00 174.74 170.47 2k27 s HIS 156 N -0.27 3.26 -0.80 3.88 2.46 -1.26 -5.04 115.29 117.52 2k27 s HIS 156 Ca -0.04 -1.19 -0.25 0.00 0.47 0.00 0.00 55.06 54.05 2k27 s HIS 156 Cb -0.03 -2.41 -0.03 0.00 -0.13 0.00 0.00 32.58 29.97 2k27 s HIS 156 CO 0.04 -0.70 1.88 -1.01 -2.47 0.00 0.00 174.74 172.48 2k27 s HIS 157 N 1.49 1.79 0.31 3.88 3.76 -1.26 -4.96 115.29 120.29 2k27 s HIS 157 Ca 0.01 0.61 -0.28 0.00 -0.15 0.00 0.00 55.06 55.25 2k27 s HIS 157 Cb -0.20 -4.10 -0.10 0.00 1.11 0.00 0.00 32.58 29.30 2k27 s HIS 157 CO 0.05 -1.97 1.15 -1.58 -0.85 0.00 0.00 174.74 171.54 2k27 s HIS 158 N 9.43 3.40 -2.00 1.40 2.46 -1.26 -5.38 115.29 123.33 2k27 s HIS 158 Ca 0.67 1.62 0.16 0.00 0.47 0.00 0.00 55.06 57.99 2k27 s HIS 158 Cb -0.09 -3.37 0.95 0.00 -0.13 0.00 0.00 32.58 29.95 2k27 s HIS 158 CO 0.07 -0.90 1.36 1.58 -2.47 0.00 0.00 174.74 174.38