#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k27 n PRO 2 N 0.00 2.54 -2.17 0.03 -0.04 -1.26 -4.96 135.00 129.15 2k27 n PRO 2 Ca 0.00 -2.78 -0.41 0.00 -0.04 0.00 0.00 63.50 60.27 2k27 n PRO 2 Cb 0.00 -3.45 -0.03 0.00 -0.04 0.00 0.00 33.50 29.98 2k27 n PRO 2 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2k27 s HIS 3 N 5.83 3.18 -0.38 0.54 2.46 -1.26 -5.01 115.29 120.66 2k27 s HIS 3 Ca 0.57 1.25 0.05 0.00 0.47 0.00 0.00 55.06 57.40 2k27 s HIS 3 Cb 0.06 -3.65 0.17 0.00 -0.13 0.00 0.00 32.58 29.03 2k27 s HIS 3 CO 0.07 -1.96 0.48 1.21 -2.47 0.00 0.00 174.74 172.07 2k27 s ASN 4 N 0.09 -0.02 -1.24 9.88 2.47 -1.26 -5.06 114.94 119.80 2k27 s ASN 4 Ca 0.55 -1.13 -0.18 0.00 0.42 0.00 0.00 52.86 52.51 2k27 s ASN 4 Cb -0.38 1.19 -0.01 0.00 -1.45 0.00 0.00 41.25 40.60 2k27 s ASN 4 CO 0.43 -0.23 1.96 -1.54 -3.72 0.00 0.00 177.10 173.99 2k27 n SER 5 N 4.43 3.86 -4.78 -4.21 3.41 -1.26 -4.97 113.62 110.09 2k27 n SER 5 Ca 0.10 -2.81 -0.33 0.00 -0.26 0.00 0.00 58.87 55.56 2k27 n SER 5 Cb 0.50 -1.61 0.02 0.00 -0.26 0.00 0.00 64.21 62.87 2k27 n SER 5 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2k27 s ILE 6 N 5.26 3.45 0.22 -1.33 2.07 -1.26 -5.09 121.20 124.52 2k27 s ILE 6 Ca 0.55 0.72 0.04 0.00 -1.41 0.00 0.00 60.65 60.55 2k27 s ILE 6 Cb 0.08 -3.24 -0.05 0.00 0.13 0.00 0.00 42.46 39.38 2k27 s ILE 6 CO 0.05 -0.37 -0.02 -0.13 -1.91 0.00 0.00 174.94 172.56 2k27 s ARG 7 N -3.91 1.29 0.26 3.50 3.00 -1.26 -5.18 118.95 116.65 2k27 s ARG 7 Ca 0.67 -1.64 -0.02 0.00 0.00 0.00 0.00 55.73 54.74 2k27 s ARG 7 Cb -0.19 -0.60 0.01 0.00 0.00 0.00 0.00 34.95 34.16 2k27 s ARG 7 CO 0.36 -0.07 0.38 0.45 0.00 0.00 0.00 175.30 176.42 2k27 n SER 8 N -0.38 -1.06 -1.08 0.23 2.88 -1.26 -5.20 113.62 107.76 2k27 n SER 8 Ca -0.06 -2.37 -0.00 0.00 -1.33 0.00 0.00 58.87 55.11 2k27 n SER 8 Cb 0.63 1.94 0.00 0.00 -0.75 0.00 0.00 64.21 66.04 2k27 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k27 n GLY 9 N -0.42 0.99 2.36 0.46 0.00 -1.26 -5.20 105.19 102.12 2k27 n GLY 9 Ca -0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 2k27 n GLY 9 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k27 n HIS 10 N -0.03 -1.70 -3.30 1.61 1.44 -1.26 -5.20 115.22 106.79 2k27 n HIS 10 Ca 0.00 -1.27 -0.00 0.00 -2.01 0.00 0.00 57.72 54.43 2k27 n HIS 10 Cb 0.02 0.54 -0.00 0.00 0.12 0.00 0.00 29.99 30.67 2k27 n HIS 10 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k27 n GLY 11 N -0.35 2.53 0.39 -1.39 0.00 -1.26 -5.20 105.19 99.92 2k27 n GLY 11 Ca -0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 2k27 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k27 n GLY 12 N -0.01 1.57 3.54 -0.02 0.00 -1.26 -5.20 105.19 103.81 2k27 n GLY 12 Ca -0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 2k27 n GLY 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k27 n LEU 13 N 0.00 0.00 -3.90 0.99 -0.00 -1.26 -5.19 117.00 107.64 2k27 n LEU 13 Ca -0.01 -2.38 -0.11 0.00 -0.00 0.00 0.00 56.01 53.52 2k27 n LEU 13 Cb 0.06 3.56 -0.11 0.00 -0.00 0.00 0.00 43.42 46.94 2k27 n LEU 13 CO 0.03 -0.79 -0.25 0.54 -0.00 0.00 0.00 177.39 176.92 2k27 s ASN 14 N -2.96 0.08 0.05 1.45 4.22 -1.26 -5.10 114.94 111.42 2k27 s ASN 14 Ca 0.15 -0.26 0.00 0.00 -2.14 0.00 0.00 52.86 50.62 2k27 s ASN 14 Cb -0.05 0.17 0.00 0.00 1.28 0.00 0.00 41.25 42.65 2k27 s ASN 14 CO 0.11 -0.30 0.00 0.00 -2.04 0.00 0.00 177.10 174.87 2k27 n GLN 15 N 1.71 0.00 -1.23 3.55 1.13 -1.26 -5.16 117.38 116.12 2k27 n GLN 15 Ca -0.22 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.01 2k27 n GLN 15 Cb 0.56 -0.47 -0.04 0.00 0.11 0.00 0.00 30.24 30.39 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 -3.20 -0.61 -3.73 1.08 7.99 -1.26 -5.08 117.00 112.20 2k27 n LEU 16 Ca 0.00 1.34 -0.01 0.00 -0.01 0.00 0.00 56.01 57.33 2k27 n LEU 16 Cb 0.27 -3.72 -0.00 0.00 -0.11 0.00 0.00 43.42 39.86 2k27 n LEU 16 CO 0.00 -3.30 0.92 -0.83 -1.51 0.00 0.00 177.39 172.67 2k27 s GLY 17 N -6.40 -0.27 0.50 -0.72 0.00 -1.26 -5.16 107.32 94.01 2k27 s GLY 17 Ca 0.00 0.32 -0.23 0.00 0.00 0.00 0.00 44.72 44.81 2k27 s GLY 17 CO 0.00 0.85 1.35 -0.32 0.00 0.00 0.00 173.10 174.98 2k27 s GLY 18 N -3.10 2.89 0.05 0.20 0.00 -1.26 -5.04 107.32 101.06 2k27 s GLY 18 Ca 0.16 1.31 -0.20 0.00 0.00 0.00 0.00 44.72 45.99 2k27 s GLY 18 CO -0.00 1.85 0.46 0.00 0.00 0.00 0.00 173.10 175.41 2k27 s ALA 19 N -1.30 -1.16 0.00 3.20 0.00 -1.04 -4.35 121.76 117.10 2k27 s ALA 19 Ca 0.67 0.43 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2k27 s ALA 19 Cb -0.40 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2k27 s ALA 19 CO 0.48 -0.49 0.00 0.34 0.00 0.00 0.00 175.76 176.10 2k27 n PHE 20 N 0.43 0.00 0.00 0.00 7.35 -1.26 -4.24 117.46 119.74 2k27 n PHE 20 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 2k27 n PHE 20 Cb 0.60 -0.86 0.00 0.00 0.35 0.00 0.00 39.48 39.57 2k27 n PHE 20 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 2k27 n VAL 21 N -2.08 0.00 -3.70 -2.13 3.14 -1.23 -4.93 118.33 107.39 2k27 n VAL 21 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 2k27 n VAL 21 Cb 0.05 -0.07 -0.05 0.00 -1.06 0.00 0.00 33.84 32.71 2k27 n VAL 21 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2k27 s ASN 22 N -2.33 6.53 0.00 6.55 3.84 -1.26 -4.54 114.94 123.72 2k27 s ASN 22 Ca 0.00 0.61 0.00 0.00 0.21 0.00 0.00 52.86 53.68 2k27 s ASN 22 Cb 0.00 -2.11 0.00 0.00 -0.55 0.00 0.00 41.25 38.59 2k27 s ASN 22 CO 0.00 0.19 0.00 0.61 -2.79 0.00 0.00 177.10 175.11 2k27 n GLY 23 N 0.85 1.68 3.65 1.21 0.00 -1.26 -2.51 105.19 108.82 2k27 n GLY 23 Ca -0.09 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 4.20 0.98 1.61 3.52 -1.26 -5.03 118.95 122.97 2k27 s ARG 24 Ca 0.00 1.35 -0.15 0.00 -0.13 0.00 0.00 55.73 56.80 2k27 s ARG 24 Cb 0.00 -3.69 0.19 0.00 -1.56 0.00 0.00 34.95 29.89 2k27 s ARG 24 CO 0.00 -0.71 1.21 -1.25 -0.81 0.00 0.00 175.30 173.74 2k27 s PRO 25 N 3.38 0.55 -0.60 5.12 0.04 -1.26 -3.54 135.00 138.68 2k27 s PRO 25 Ca 0.47 -0.10 0.06 0.00 0.04 0.00 0.00 61.00 61.47 2k27 s PRO 25 Cb -0.16 -1.81 0.24 0.00 0.04 0.00 0.00 34.50 32.82 2k27 s PRO 25 CO 0.10 -2.53 0.66 1.28 0.04 0.00 0.00 177.00 176.56 2k27 n LEU 26 N -3.92 2.90 0.00 -3.56 4.32 -1.26 -4.89 117.00 110.58 2k27 n LEU 26 Ca 0.12 -5.25 0.00 0.00 -0.02 0.00 0.00 56.01 50.86 2k27 n LEU 26 Cb 0.60 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 2k27 n LEU 26 CO 0.50 2.02 0.00 -0.81 -1.22 0.00 0.00 177.39 177.88 2k27 n PRO 27 N 1.14 1.53 0.33 3.23 -0.04 -1.26 -4.67 135.00 135.26 2k27 n PRO 27 Ca 0.27 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.89 2k27 n PRO 27 Cb 0.43 0.00 0.85 0.00 -0.04 0.00 0.00 33.50 34.74 2k27 n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k27 h GLU 28 N 0.00 0.00 0.00 0.54 5.08 -2.05 -0.22 114.58 117.93 2k27 h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k27 h GLU 28 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k27 h GLU 28 CO 0.00 0.00 0.13 -0.24 -1.00 0.00 0.00 179.01 177.90 2k27 h VAL 29 N 0.00 0.00 -0.95 3.13 3.04 -1.98 -2.61 116.25 116.88 2k27 h VAL 29 Ca 0.01 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 65.92 2k27 h VAL 29 Cb 0.63 0.51 -0.07 0.00 -2.01 0.00 0.00 31.29 30.34 2k27 h VAL 29 CO -0.00 0.00 0.62 1.62 -1.01 0.00 0.00 177.57 178.80 2k27 h VAL 30 N 0.00 0.64 -0.38 1.51 3.04 -1.30 0.16 116.25 119.93 2k27 h VAL 30 Ca 0.00 -0.14 0.05 0.00 -1.01 0.00 0.00 66.70 65.59 2k27 h VAL 30 Cb 0.27 0.19 -0.04 0.00 -2.01 0.00 0.00 31.29 29.69 2k27 h VAL 30 CO 0.00 0.08 0.12 0.03 -1.01 0.00 0.00 177.57 176.79 2k27 h ARG 31 N 0.42 0.26 -0.62 4.17 -0.00 -1.73 -0.45 114.38 116.43 2k27 h ARG 31 Ca 0.51 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.98 59.92 2k27 h ARG 31 Cb 1.26 -0.06 -0.03 0.00 0.00 0.00 0.00 29.97 31.14 2k27 h ARG 31 CO -0.21 0.18 0.19 1.96 0.00 0.00 0.00 179.97 182.09 2k27 h GLN 32 N 0.27 0.97 0.15 0.04 1.08 -0.94 -0.24 115.11 116.44 2k27 h GLN 32 Ca 0.17 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2k27 h GLN 32 Cb 0.16 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 2k27 h GLN 32 CO -0.19 0.86 -0.22 0.00 -0.95 0.00 0.00 178.83 178.34 2k27 h ARG 33 N 0.90 -0.41 -0.10 1.46 3.08 -0.97 -0.92 114.38 117.41 2k27 h ARG 33 Ca 0.20 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.32 2k27 h ARG 33 Cb 0.30 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 2k27 h ARG 33 CO -0.01 -0.28 -0.21 0.82 -1.07 0.00 0.00 179.97 179.23 2k27 h ILE 34 N -0.43 0.49 -0.20 2.04 2.04 -0.89 -1.84 117.51 118.73 2k27 h ILE 34 Ca 0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.92 2k27 h ILE 34 Cb 0.43 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2k27 h ILE 34 CO -0.10 0.00 -0.04 0.58 0.00 0.00 0.00 178.15 178.59 2k27 h VAL 35 N -0.28 0.81 0.75 1.67 2.07 -0.90 -0.39 116.25 119.98 2k27 h VAL 35 Ca 0.09 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 2k27 h VAL 35 Cb 0.41 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2k27 h VAL 35 CO -0.26 0.00 -0.36 -0.78 0.02 0.00 0.00 177.57 176.19 2k27 h ASP 36 N 0.01 -0.85 -0.78 0.57 3.58 -0.91 0.27 116.42 118.31 2k27 h ASP 36 Ca 0.10 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k27 h ASP 36 Cb 0.14 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 2k27 h ASP 36 CO -0.20 -0.61 0.49 -0.07 -2.88 0.00 0.00 179.24 175.97 2k27 h LEU 37 N -1.01 0.92 -0.45 2.28 4.07 -1.28 -1.58 115.31 118.25 2k27 h LEU 37 Ca -0.10 -0.05 -0.08 0.00 0.08 0.00 0.00 57.88 57.73 2k27 h LEU 37 Cb 0.77 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 2k27 h LEU 37 CO 0.17 0.69 -0.03 0.00 -1.08 0.00 0.00 178.44 178.19 2k27 h ALA 38 N 1.26 0.61 -0.00 1.53 0.00 -1.04 -1.72 119.26 119.90 2k27 h ALA 38 Ca 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k27 h ALA 38 Cb -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2k27 h ALA 38 CO -0.06 0.43 0.00 1.25 0.00 0.00 0.00 179.25 180.88 2k27 h HIS 39 N 0.66 0.00 0.00 0.00 -0.00 -0.49 -2.30 115.15 113.02 2k27 h HIS 39 Ca 0.12 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.44 2k27 h HIS 39 Cb 0.54 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 2k27 h HIS 39 CO 0.04 0.20 -0.25 -0.56 -0.00 0.00 0.00 177.93 177.36 2k27 h GLN 40 N -0.19 0.00 -2.49 5.26 3.07 -1.38 -3.48 115.11 115.90 2k27 h GLN 40 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k27 h GLN 40 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2k27 h GLN 40 CO -0.00 0.25 0.00 0.41 0.09 0.00 0.00 178.83 179.58 2k27 n GLY 41 N -0.60 -2.38 3.09 0.06 0.00 -0.65 -5.11 105.19 99.60 2k27 n GLY 41 Ca -0.02 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.89 0.63 1.61 1.01 -1.21 -5.04 120.40 118.29 2k27 s VAL 42 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 2k27 s VAL 42 Cb 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2k27 s VAL 42 CO 0.00 -0.01 1.09 0.00 0.00 0.00 0.00 175.10 176.17 2k27 s ARG 43 N -0.95 3.02 0.00 2.72 1.70 -1.26 -4.83 118.95 119.34 2k27 s ARG 43 Ca 0.00 1.29 -0.05 0.00 -0.47 0.00 0.00 55.73 56.51 2k27 s ARG 43 Cb -0.07 -1.99 -0.20 0.00 -0.57 0.00 0.00 34.95 32.12 2k27 s ARG 43 CO 0.01 -1.06 3.10 -0.35 -1.08 0.00 0.00 175.30 175.91 2k27 n PRO 44 N -2.29 1.67 0.00 3.89 -0.04 -1.26 -2.08 135.00 134.89 2k27 n PRO 44 Ca 0.10 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 2k27 n PRO 44 Cb 0.52 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.10 -0.76 0.00 3.32 -1.91 -1.76 116.42 115.41 2k27 h ASP 46 Ca 0.00 -0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.08 2k27 h ASP 46 Cb 0.03 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 2k27 h ASP 46 CO 0.00 0.63 0.42 0.40 -1.72 0.00 0.00 179.24 178.97 2k27 h ILE 47 N 0.07 0.90 -0.65 0.35 2.04 -1.73 -1.25 117.51 117.24 2k27 h ILE 47 Ca -0.00 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.69 2k27 h ILE 47 Cb 0.99 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2k27 h ILE 47 CO 0.08 0.13 0.43 -1.28 0.00 0.00 0.00 178.15 177.51 2k27 h SER 48 N 0.72 0.49 0.12 1.72 0.87 -1.59 -0.43 113.55 115.45 2k27 h SER 48 Ca 0.36 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 2k27 h SER 48 Cb 0.33 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2k27 h SER 48 CO -0.24 0.31 -0.06 0.03 -0.53 0.00 0.00 176.83 176.34 2k27 h ARG 49 N 0.55 -0.16 -0.94 2.24 3.08 -1.11 -0.17 114.38 117.88 2k27 h ARG 49 Ca 0.29 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.51 2k27 h ARG 49 Cb 0.42 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.43 2k27 h ARG 49 CO -0.09 0.29 0.60 1.96 -1.07 0.00 0.00 179.97 181.66 2k27 h GLN 50 N -0.71 0.71 0.00 0.04 4.20 -0.65 -1.52 115.11 117.18 2k27 h GLN 50 Ca -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2k27 h GLN 50 Cb 0.53 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2k27 h GLN 50 CO 0.03 0.47 -0.89 1.28 -0.67 0.00 0.00 178.83 179.05 2k27 n LEU 51 N -4.61 0.68 -3.09 1.46 7.99 -0.23 -5.01 117.00 114.19 2k27 n LEU 51 Ca 0.19 0.16 -0.05 0.00 -0.01 0.00 0.00 56.01 56.30 2k27 n LEU 51 Cb 0.51 -0.12 0.03 0.00 -0.11 0.00 0.00 43.42 43.72 2k27 n LEU 51 CO 0.27 -0.05 0.23 0.54 -1.51 0.00 0.00 177.39 176.87 2k27 n ARG 52 N -2.20 -1.62 -4.24 3.23 3.00 -0.22 -4.44 116.66 110.16 2k27 n ARG 52 Ca 0.02 1.24 -0.18 0.00 -0.01 0.00 0.00 57.85 58.92 2k27 n ARG 52 Cb 0.47 -5.69 -0.08 0.00 0.00 0.00 0.00 32.46 27.16 2k27 n ARG 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k27 s VAL 53 N -3.14 0.00 0.00 1.55 -7.23 -0.33 -4.97 120.40 106.28 2k27 s VAL 53 Ca 0.17 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2k27 s VAL 53 Cb -0.02 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2k27 s VAL 53 CO 0.73 0.00 0.19 -0.24 -0.31 0.00 0.00 175.10 175.46 2k27 n SER 54 N -1.31 0.00 0.00 4.85 2.88 -1.26 -4.66 113.62 114.12 2k27 n SER 54 Ca 0.06 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 2k27 n SER 54 Cb 0.63 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 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 -2.00 -0.02 -0.19 0.66 -0.00 -1.26 -4.94 115.22 107.47 2k27 n HIS 55 Ca 0.00 0.00 0.21 0.00 0.46 0.00 0.00 57.72 58.39 2k27 n HIS 55 Cb 0.00 0.00 0.57 0.00 -0.12 0.00 0.00 29.99 30.45 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 0.57 1.51 1.57 0.00 -1.97 0.18 103.07 104.94 2k27 h GLY 56 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 2k27 h GLY 56 CO 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 176.54 176.02 2k27 h VAL 58 N 0.40 0.67 -0.85 0.00 2.07 -1.34 -0.17 116.25 117.03 2k27 h VAL 58 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2k27 h VAL 58 Cb 1.06 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2k27 h VAL 58 CO 0.10 0.00 0.52 -1.28 0.02 0.00 0.00 177.57 176.93 2k27 h SER 59 N -0.01 0.80 -0.31 0.57 0.87 -1.67 0.12 113.55 113.92 2k27 h SER 59 Ca 0.15 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 2k27 h SER 59 Cb 0.24 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2k27 h SER 59 CO -0.33 0.50 -0.13 0.11 -0.53 0.00 0.00 176.83 176.46 2k27 h LYS 60 N 0.93 0.64 -0.32 2.24 1.57 -1.48 -2.95 116.57 117.20 2k27 h LYS 60 Ca 0.38 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2k27 h LYS 60 Cb 0.21 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2k27 h LYS 60 CO -0.19 0.85 -0.07 0.82 -0.57 0.00 0.00 179.45 180.29 2k27 h ILE 61 N 0.40 1.22 0.00 1.86 2.04 -0.61 -0.58 117.51 121.83 2k27 h ILE 61 Ca 0.07 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2k27 h ILE 61 Cb 0.64 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2k27 h ILE 61 CO 0.04 0.31 0.06 0.25 0.00 0.00 0.00 178.15 178.81 2k27 h LEU 62 N 0.49 0.00 0.00 1.44 7.12 -0.60 -3.43 115.31 120.33 2k27 h LEU 62 Ca 0.10 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.11 2k27 h LEU 62 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2k27 h LEU 62 CO 0.02 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.94 2k27 n GLY 63 N -1.13 3.32 0.13 3.75 0.00 -0.23 -4.88 105.19 106.16 2k27 n GLY 63 Ca -0.03 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.57 2k27 n GLY 63 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k27 h ARG 64 N 0.00 0.00 -0.28 1.61 -0.00 -1.82 -3.44 114.38 110.45 2k27 h ARG 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2k27 h ARG 64 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2k27 h ARG 64 CO 0.00 0.00 -0.03 0.66 -0.00 0.00 0.00 179.97 180.60 2k27 n TYR 65 N -2.33 -0.13 -3.10 4.08 4.01 -1.26 -4.92 117.16 113.50 2k27 n TYR 65 Ca 0.04 0.07 -0.14 0.00 -0.16 0.00 0.00 57.90 57.71 2k27 n TYR 65 Cb 0.33 -1.64 0.07 0.00 -0.31 0.00 0.00 39.34 37.79 2k27 n TYR 65 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2k27 n TYR 66 N -0.38 -1.99 -1.34 -0.72 4.01 -1.26 -4.98 117.16 110.49 2k27 n TYR 66 Ca 0.00 0.77 -0.37 0.00 -0.16 0.00 0.00 57.90 58.14 2k27 n TYR 66 Cb 0.00 -4.25 0.06 0.00 -0.31 0.00 0.00 39.34 34.84 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 -3.31 0.40 -0.18 -0.72 1.02 -0.87 -4.85 120.64 112.13 2k27 n GLU 67 Ca -0.15 0.17 -0.05 0.00 -0.02 0.00 0.00 57.16 57.11 2k27 n GLU 67 Cb 0.62 -1.82 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.16 -0.29 -2.54 2.62 -2.24 -1.26 -1.48 114.28 106.93 2k27 n THR 68 Ca 0.11 1.24 -0.19 0.00 -2.27 0.00 0.00 64.05 62.94 2k27 n THR 68 Cb 0.49 -1.56 0.01 0.00 -2.10 0.00 0.00 70.33 67.18 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 -1.11 4.13 3.76 3.38 0.00 -1.26 -5.07 105.19 109.03 2k27 n GLY 69 Ca 0.01 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.82 2k27 n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k27 s SER 70 N -3.39 -0.29 -1.19 1.61 0.15 -0.55 -4.98 113.70 105.06 2k27 s SER 70 Ca 0.39 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 2k27 s SER 70 Cb 0.42 0.70 -0.01 0.00 -1.71 0.00 0.00 66.02 65.42 2k27 s SER 70 CO -0.08 -1.27 0.99 -0.38 1.20 0.00 0.00 173.24 173.69 2k27 n ILE 71 N -0.44 -6.22 -2.76 6.45 5.41 -1.26 -2.04 119.36 118.50 2k27 n ILE 71 Ca -0.06 -0.57 -0.09 0.00 1.00 0.00 0.00 62.75 63.03 2k27 n ILE 71 Cb 0.60 -5.09 0.08 0.00 -0.71 0.00 0.00 39.64 34.52 2k27 n ILE 71 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2k27 n ARG 72 N -4.06 1.09 -2.12 0.38 1.85 -1.26 -4.06 116.66 108.48 2k27 n ARG 72 Ca -0.27 -2.14 -0.34 0.00 -1.00 0.00 0.00 57.85 54.09 2k27 n ARG 72 Cb 0.67 -0.74 0.01 0.00 -1.05 0.00 0.00 32.46 31.35 2k27 n ARG 72 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2k27 s PRO 73 N -0.31 3.21 0.00 2.89 0.04 -1.26 -4.75 135.00 134.82 2k27 s PRO 73 Ca 0.24 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2k27 s PRO 73 Cb 0.35 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2k27 s PRO 73 CO -0.06 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.44 2k27 n GLY 74 N -0.06 -2.05 2.97 0.56 0.00 -1.26 -5.12 105.19 100.23 2k27 n GLY 74 Ca 0.11 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.68 0.26 1.61 0.11 -1.26 -5.15 120.40 115.29 2k27 s VAL 75 Ca 0.00 -0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 2k27 s VAL 75 Cb 0.00 -0.84 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 2k27 s VAL 75 CO 0.00 -0.09 1.02 -0.63 -3.33 0.00 0.00 175.10 172.07 2k27 s ILE 76 N 2.61 3.78 -0.03 7.04 1.01 -1.26 -5.06 121.20 129.29 2k27 s ILE 76 Ca 0.14 1.80 -0.29 0.00 0.00 0.00 0.00 60.65 62.29 2k27 s ILE 76 Cb -0.15 -4.14 0.10 0.00 0.01 0.00 0.00 42.46 38.28 2k27 s ILE 76 CO -0.17 0.43 0.88 -0.83 0.00 0.00 0.00 174.94 175.25 2k27 s GLY 77 N -1.02 -0.44 -1.15 6.18 0.00 -1.26 -5.02 107.32 104.62 2k27 s GLY 77 Ca 0.43 1.24 -0.04 0.00 0.00 0.00 0.00 44.72 46.34 2k27 s GLY 77 CO 0.36 0.53 0.91 0.61 0.00 0.00 0.00 173.10 175.51 2k27 n GLY 78 N 0.05 -0.74 2.72 0.20 0.00 -1.26 -5.00 105.19 101.16 2k27 n GLY 78 Ca -0.10 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.88 -0.74 -0.43 1.61 1.04 -1.26 -5.02 113.70 105.02 2k27 s SER 79 Ca 0.23 -1.94 0.08 0.00 0.48 0.00 0.00 55.95 54.80 2k27 s SER 79 Cb -0.04 1.36 0.27 0.00 0.10 0.00 0.00 66.02 67.70 2k27 s SER 79 CO 0.76 -0.09 0.74 1.17 0.98 0.00 0.00 173.24 176.79 2k27 n LYS 80 N 3.10 0.80 -2.05 4.02 4.81 -1.26 -5.15 118.16 122.42 2k27 n LYS 80 Ca 0.20 -2.59 -0.30 0.00 -0.87 0.00 0.00 58.31 54.74 2k27 n LYS 80 Cb 0.54 -1.34 0.02 0.00 0.02 0.00 0.00 35.03 34.26 2k27 n LYS 80 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2k27 s PRO 81 N -0.54 3.42 -0.29 1.64 0.04 -1.26 -5.09 135.00 132.92 2k27 s PRO 81 Ca 0.33 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 2k27 s PRO 81 Cb 0.23 -2.14 0.16 0.00 0.04 0.00 0.00 34.50 32.78 2k27 s PRO 81 CO -0.15 -0.59 0.57 0.21 0.04 0.00 0.00 177.00 177.09 2k27 s LYS 82 N -5.11 0.53 -0.12 4.56 2.36 -1.26 -5.14 119.74 115.56 2k27 s LYS 82 Ca 0.54 1.10 -0.29 0.00 -2.55 0.00 0.00 55.97 54.76 2k27 s LYS 82 Cb -0.11 0.52 -0.03 0.00 -1.05 0.00 0.00 37.83 37.16 2k27 s LYS 82 CO 0.51 -0.46 1.35 0.08 1.55 0.00 0.00 175.35 178.38 2k27 s VAL 83 N 2.82 4.09 0.00 4.02 1.01 -1.26 -4.93 120.40 126.14 2k27 s VAL 83 Ca 0.10 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2k27 s VAL 83 Cb -0.14 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2k27 s VAL 83 CO -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 175.10 174.81 2k27 n ALA 84 N 6.45 0.00 -3.54 5.51 0.00 -1.26 -4.89 120.51 122.79 2k27 n ALA 84 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 2k27 n ALA 84 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 2k27 n ALA 84 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2k27 s THR 85 N -1.90 0.00 0.19 0.00 -1.32 -1.26 -5.05 115.64 106.30 2k27 s THR 85 Ca 0.00 -0.02 0.32 0.00 -1.21 0.00 0.00 61.69 60.78 2k27 s THR 85 Cb 0.00 -0.92 0.35 0.00 -1.51 0.00 0.00 72.50 70.43 2k27 s THR 85 CO 0.00 -0.01 1.99 1.55 -2.21 0.00 0.00 174.62 175.94 2k27 h PRO 86 N 4.65 0.00 0.00 7.08 0.13 -2.03 -3.20 132.00 138.62 2k27 h PRO 86 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2k27 h PRO 86 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k27 h PRO 86 CO 0.16 0.06 0.00 -0.22 -0.23 0.00 0.00 178.00 177.77 2k27 h LYS 87 N 0.00 0.00 -0.71 0.86 3.64 -2.01 -1.62 116.57 116.72 2k27 h LYS 87 Ca -0.00 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 2k27 h LYS 87 Cb 0.50 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.21 2k27 h LYS 87 CO 0.01 0.00 0.14 -0.39 -2.27 0.00 0.00 179.45 176.94 2k27 h VAL 88 N 0.00 0.50 -0.88 2.00 -1.51 -1.98 -1.45 116.25 112.93 2k27 h VAL 88 Ca 0.00 -0.08 0.08 0.00 -1.23 0.00 0.00 66.70 65.47 2k27 h VAL 88 Cb 0.02 0.25 -0.06 0.00 -2.13 0.00 0.00 31.29 29.37 2k27 h VAL 88 CO 0.00 0.04 0.57 0.58 -1.23 0.00 0.00 177.57 177.54 2k27 h VAL 89 N 0.23 1.02 0.42 7.19 2.07 -1.57 -1.00 116.25 124.61 2k27 h VAL 89 Ca 0.40 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2k27 h VAL 89 Cb 0.68 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2k27 h VAL 89 CO -0.52 0.17 -0.20 -0.33 0.02 0.00 0.00 177.57 176.71 2k27 h GLU 90 N 0.95 -0.54 0.00 1.57 5.08 -1.44 -3.27 114.58 116.93 2k27 h GLU 90 Ca 0.39 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2k27 h GLU 90 Cb 0.28 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k27 h GLU 90 CO -0.15 -0.24 0.00 0.36 -1.00 0.00 0.00 179.01 177.98 2k27 n LYS 91 N -5.22 0.56 -0.14 2.33 -0.00 -0.95 -1.06 118.16 113.67 2k27 n LYS 91 Ca -0.10 0.01 0.01 0.00 -0.00 0.00 0.00 58.31 58.23 2k27 n LYS 91 Cb 0.29 -1.50 0.30 0.00 -0.00 0.00 0.00 35.03 34.12 2k27 n LYS 91 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2k27 h ILE 92 N 0.00 1.17 -0.70 0.58 1.08 -1.24 -2.51 117.51 115.89 2k27 h ILE 92 Ca 0.00 -0.32 0.11 0.00 -0.39 0.00 0.00 64.86 64.25 2k27 h ILE 92 Cb 0.20 0.24 -0.08 0.00 -3.07 0.00 0.00 36.82 34.11 2k27 h ILE 92 CO 0.00 0.17 0.31 1.23 -0.69 0.00 0.00 178.15 179.17 2k27 h GLY 93 N 0.87 1.04 0.91 5.37 0.00 -1.22 -0.26 103.07 109.79 2k27 h GLY 93 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2k27 h GLY 93 CO -0.05 -0.00 0.10 -0.55 0.00 0.00 0.00 176.54 176.04 2k27 h ASP 94 N 0.52 0.31 -0.87 0.19 3.32 -1.59 -0.78 116.42 117.52 2k27 h ASP 94 Ca 0.36 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.29 2k27 h ASP 94 Cb 0.44 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 2k27 h ASP 94 CO -0.31 0.38 0.57 1.88 -1.72 0.00 0.00 179.24 180.03 2k27 h TYR 95 N 0.22 1.04 0.33 4.55 0.05 -0.97 -0.09 116.97 122.10 2k27 h TYR 95 Ca 0.08 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 2k27 h TYR 95 Cb 0.16 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.56 2k27 h TYR 95 CO -0.01 0.60 -0.16 0.87 -1.05 0.00 0.00 178.16 178.41 2k27 h LYS 96 N 1.07 -0.42 -0.06 4.88 1.79 -0.88 0.23 116.57 123.18 2k27 h LYS 96 Ca 0.35 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.81 2k27 h LYS 96 Cb 0.04 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 2k27 h LYS 96 CO -0.10 -0.12 -0.13 0.07 -1.08 0.00 0.00 179.45 178.08 2k27 h ARG 97 N -0.73 0.09 0.24 3.15 0.11 -0.90 -0.54 114.38 115.80 2k27 h ARG 97 Ca -0.04 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2k27 h ARG 97 Cb 0.50 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2k27 h ARG 97 CO 0.07 0.22 -0.12 1.96 0.10 0.00 0.00 179.97 182.21 2k27 h GLN 98 N 0.08 -0.31 -2.96 0.08 4.20 -1.06 -3.42 115.11 111.72 2k27 h GLN 98 Ca 0.02 0.02 -0.61 0.00 0.06 0.00 0.00 58.65 58.14 2k27 h GLN 98 Cb 0.28 0.07 -0.40 0.00 0.30 0.00 0.00 27.48 27.73 2k27 h GLN 98 CO 0.02 0.05 -0.72 1.21 -0.67 0.00 0.00 178.83 178.72 2k27 s ASN 99 N -5.28 3.70 0.22 1.46 3.84 0.07 -4.97 114.94 113.97 2k27 s ASN 99 Ca -0.12 -3.09 0.06 0.00 0.21 0.00 0.00 52.86 49.91 2k27 s ASN 99 Cb 0.01 -1.18 0.17 0.00 -0.55 0.00 0.00 41.25 39.70 2k27 s ASN 99 CO 0.46 -0.20 1.50 1.55 -2.79 0.00 0.00 177.10 177.62 2k27 h PRO 100 N 6.15 0.14 -0.97 0.43 0.13 -1.31 -3.20 132.00 133.35 2k27 h PRO 100 Ca 0.07 -0.12 0.10 0.00 -0.87 0.00 0.00 66.00 65.18 2k27 h PRO 100 Cb 0.87 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.95 2k27 h PRO 100 CO 0.56 0.80 0.61 1.79 -0.23 0.00 0.00 178.00 181.52 2k27 h THR 101 N 0.09 0.97 -2.75 1.56 1.35 -1.93 -3.38 112.91 108.83 2k27 h THR 101 Ca -0.02 -0.35 -0.55 0.00 -0.55 0.00 0.00 66.41 64.94 2k27 h THR 101 Cb 1.27 -0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 2k27 h THR 101 CO 0.10 0.19 0.99 -0.04 -0.25 0.00 0.00 175.52 176.51 2k27 s MET 102 N -6.00 4.21 0.64 4.72 -1.94 -1.21 -5.02 119.30 114.71 2k27 s MET 102 Ca -0.12 1.99 -0.03 0.00 -1.71 0.00 0.00 55.69 55.82 2k27 s MET 102 Cb 0.21 -3.85 0.05 0.00 2.01 0.00 0.00 34.83 33.25 2k27 s MET 102 CO 0.81 -0.76 0.92 -0.06 -0.01 0.00 0.00 175.02 175.91 2k27 s PHE 103 N 3.60 2.90 0.31 -0.03 0.08 -1.26 -4.68 117.98 118.90 2k27 s PHE 103 Ca 0.66 0.26 0.05 0.00 0.12 0.00 0.00 56.93 58.02 2k27 s PHE 103 Cb -0.29 -3.01 0.83 0.00 -0.57 0.00 0.00 43.02 39.98 2k27 s PHE 103 CO 0.24 -1.18 1.60 0.00 -0.10 0.00 0.00 175.22 175.78 2k27 h ALA 104 N -0.32 1.37 -0.14 5.36 0.00 -1.94 0.14 119.26 123.73 2k27 h ALA 104 Ca -0.43 0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2k27 h ALA 104 Cb 1.31 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2k27 h ALA 104 CO 0.57 -0.60 -0.58 0.11 0.00 0.00 0.00 179.25 178.75 2k27 h TRP 105 N 0.08 0.58 0.09 0.00 0.09 -1.94 -2.30 115.95 112.56 2k27 h TRP 105 Ca 0.62 -0.21 -0.00 0.00 0.09 0.00 0.00 58.89 59.38 2k27 h TRP 105 Cb 1.35 -0.11 0.00 0.00 0.08 0.00 0.00 29.16 30.49 2k27 h TRP 105 CO -0.33 0.93 -0.04 0.93 0.09 0.00 0.00 178.44 180.01 2k27 h GLU 106 N 0.34 -0.12 -0.81 0.12 5.08 -1.15 -3.24 114.58 114.81 2k27 h GLU 106 Ca -0.00 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 2k27 h GLU 106 Cb 1.11 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 2k27 h GLU 106 CO 0.10 0.33 0.53 0.82 -1.00 0.00 0.00 179.01 179.79 2k27 h ILE 107 N -0.62 0.79 -0.89 3.13 1.08 -1.18 -2.28 117.51 117.54 2k27 h ILE 107 Ca -0.01 -0.16 0.20 0.00 -0.39 0.00 0.00 64.86 64.49 2k27 h ILE 107 Cb 0.50 0.27 -0.11 0.00 -3.07 0.00 0.00 36.82 34.41 2k27 h ILE 107 CO 0.02 0.09 0.42 -0.09 -0.69 0.00 0.00 178.15 177.90 2k27 h ARG 108 N 0.48 0.47 0.00 2.37 2.43 -1.43 -0.17 114.38 118.53 2k27 h ARG 108 Ca 0.40 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 2k27 h ARG 108 Cb 0.86 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2k27 h ARG 108 CO -0.15 0.31 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.07 2k27 h ASP 109 N 0.49 0.00 -0.05 -3.80 5.19 -1.57 -3.11 116.42 113.57 2k27 h ASP 109 Ca 0.54 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.96 2k27 h ASP 109 Cb 0.95 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 2k27 h ASP 109 CO -0.47 0.12 0.04 -0.09 -3.12 0.00 0.00 179.24 175.72 2k27 h ARG 110 N 0.00 0.00 -0.39 3.56 2.43 -1.14 -0.48 114.38 118.35 2k27 h ARG 110 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2k27 h ARG 110 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2k27 h ARG 110 CO 0.02 0.00 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.34 2k27 h LEU 111 N 0.00 0.74 -0.41 3.80 4.07 -1.68 0.39 115.31 122.21 2k27 h LEU 111 Ca 0.02 -0.35 -0.08 0.00 0.08 0.00 0.00 57.88 57.56 2k27 h LEU 111 Cb 0.11 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 2k27 h LEU 111 CO -0.00 0.91 -0.05 -0.07 -1.08 0.00 0.00 178.44 178.14 2k27 h LEU 112 N 0.55 0.77 -0.72 1.67 3.38 -1.42 0.29 115.31 119.83 2k27 h LEU 112 Ca 0.10 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2k27 h LEU 112 Cb 0.57 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2k27 h LEU 112 CO 0.03 0.92 0.46 0.00 0.09 0.00 0.00 178.44 179.94 2k27 h ALA 113 N 0.87 0.93 -0.45 1.53 0.00 -1.04 -2.27 119.26 118.83 2k27 h ALA 113 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2k27 h ALA 113 Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k27 h ALA 113 CO 0.03 0.26 -0.08 1.49 0.00 0.00 0.00 179.25 180.95 2k27 h GLU 114 N 0.91 0.79 -0.09 0.00 4.81 -0.77 -3.48 114.58 116.75 2k27 h GLU 114 Ca 0.28 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k27 h GLU 114 Cb -0.02 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2k27 h GLU 114 CO -0.09 0.85 0.00 0.41 -0.73 0.00 0.00 179.01 179.45 2k27 n GLY 115 N -0.48 0.90 0.17 1.92 0.00 -0.31 -5.03 105.19 102.35 2k27 n GLY 115 Ca 0.02 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2k27 n GLY 115 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k27 h VAL 116 N 0.00 1.36 -3.20 1.61 2.07 -1.24 -3.49 116.25 113.36 2k27 h VAL 116 Ca 0.00 -2.05 -0.09 0.00 0.82 0.00 0.00 66.70 65.38 2k27 h VAL 116 Cb 0.08 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2k27 h VAL 116 CO 0.00 0.62 0.16 0.00 0.02 0.00 0.00 177.57 178.36 2k27 n ASP 118 N -1.54 0.00 0.09 0.00 5.75 -1.26 -4.63 116.55 114.96 2k27 n ASP 118 Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.67 2k27 n ASP 118 Cb 0.56 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 2k27 n ASP 118 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 2k27 h ASN 119 N 0.00 -0.26 -4.68 -1.12 2.35 -2.02 -3.48 115.58 106.37 2k27 h ASN 119 Ca 0.00 0.01 0.26 0.00 -0.55 0.00 0.00 56.30 56.02 2k27 h ASN 119 Cb 0.00 0.07 -0.17 0.00 0.05 0.00 0.00 38.32 38.27 2k27 h ASN 119 CO 0.00 0.17 0.78 1.51 -1.65 0.00 0.00 177.43 178.24 2k27 s ASP 120 N -5.03 -0.14 0.00 5.81 1.47 -1.26 -5.00 116.67 112.52 2k27 s ASP 120 Ca -0.05 -0.05 0.00 0.00 1.18 0.00 0.00 52.55 53.64 2k27 s ASP 120 Cb 0.00 0.18 0.00 0.00 -0.34 0.00 0.00 42.92 42.76 2k27 s ASP 120 CO 0.14 -0.30 0.26 0.35 0.68 0.00 0.00 175.17 176.29 2k27 n THR 121 N -0.21 0.04 -2.03 2.11 -2.24 -1.26 -5.10 114.28 105.58 2k27 n THR 121 Ca -0.03 -0.23 -0.36 0.00 -2.27 0.00 0.00 64.05 61.16 2k27 n THR 121 Cb 0.60 1.51 0.03 0.00 -2.10 0.00 0.00 70.33 70.36 2k27 n THR 121 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2k27 s VAL 122 N -0.04 2.65 0.49 2.28 -7.23 -1.26 -4.96 120.40 112.32 2k27 s VAL 122 Ca 0.00 0.42 -0.08 0.00 -1.81 0.00 0.00 61.98 60.51 2k27 s VAL 122 Cb 0.00 -3.18 0.12 0.00 0.56 0.00 0.00 36.38 33.88 2k27 s VAL 122 CO 0.00 -0.07 0.55 -0.81 -0.31 0.00 0.00 175.10 174.46 2k27 n PRO 123 N -1.38 -1.21 -1.66 4.82 -0.04 -1.26 -4.97 135.00 129.31 2k27 n PRO 123 Ca 0.12 -0.86 -0.45 0.00 -0.04 0.00 0.00 63.50 62.28 2k27 n PRO 123 Cb 0.49 -0.67 -0.03 0.00 -0.04 0.00 0.00 33.50 33.26 2k27 n PRO 123 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k27 n SER 124 N -3.59 2.60 -0.00 3.54 7.64 -1.26 -4.91 113.62 117.64 2k27 n SER 124 Ca 0.07 1.14 0.09 0.00 1.01 0.00 0.00 58.87 61.18 2k27 n SER 124 Cb 0.26 -1.41 0.50 0.00 -1.01 0.00 0.00 64.21 62.55 2k27 n SER 124 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2k27 h VAL 125 N 3.00 0.99 -0.06 0.44 3.04 -1.93 -1.39 116.25 120.35 2k27 h VAL 125 Ca -0.45 -0.14 -0.12 0.00 -1.01 0.00 0.00 66.70 64.99 2k27 h VAL 125 Cb 1.28 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2k27 h VAL 125 CO 0.75 0.07 -0.51 0.77 -1.01 0.00 0.00 177.57 177.64 2k27 h SER 126 N 0.40 0.16 -0.01 3.17 4.64 -1.97 -3.13 113.55 116.81 2k27 h SER 126 Ca 0.19 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2k27 h SER 126 Cb 0.25 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2k27 h SER 126 CO -0.05 0.65 -0.00 -1.28 -0.87 0.00 0.00 176.83 175.28 2k27 h SER 127 N 0.12 0.01 -0.59 4.97 0.87 -1.62 -1.26 113.55 116.06 2k27 h SER 127 Ca 0.00 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2k27 h SER 127 Cb 0.94 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 2k27 h SER 127 CO 0.07 0.36 0.39 0.16 -0.53 0.00 0.00 176.83 177.29 2k27 h ILE 128 N -0.34 1.05 0.19 2.23 3.07 -1.65 -3.03 117.51 119.03 2k27 h ILE 128 Ca 0.00 -0.22 -0.01 0.00 1.55 0.00 0.00 64.86 66.18 2k27 h ILE 128 Cb 0.36 0.34 0.00 0.00 -0.27 0.00 0.00 36.82 37.25 2k27 h ILE 128 CO 0.00 0.12 -0.09 -1.13 -1.05 0.00 0.00 178.15 176.00 2k27 h ASN 129 N 0.65 -0.21 0.34 2.16 -1.24 -1.42 -3.23 115.58 112.62 2k27 h ASN 129 Ca 0.24 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.99 2k27 h ASN 129 Cb 0.14 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.25 2k27 h ASN 129 CO -0.07 0.17 0.00 -2.11 -1.29 0.00 0.00 177.43 174.14 2k27 n ARG 130 N -5.03 0.16 -0.13 6.67 -4.01 -0.51 -1.55 116.66 112.26 2k27 n ARG 130 Ca -0.09 0.53 0.03 0.00 -1.04 0.00 0.00 57.85 57.28 2k27 n ARG 130 Cb 0.24 -1.90 0.33 0.00 -3.04 0.00 0.00 32.46 28.10 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 1.14 0.00 8.89 1.08 -1.55 -2.89 117.51 124.17 2k27 h ILE 131 Ca 0.00 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 2k27 h ILE 131 Cb 0.17 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 34.18 2k27 h ILE 131 CO 0.00 0.15 -0.10 0.40 -0.69 0.00 0.00 178.15 177.91 2k27 h ILE 132 N 0.80 0.83 -0.78 -0.67 2.04 -1.46 -2.96 117.51 115.32 2k27 h ILE 132 Ca 0.23 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.80 2k27 h ILE 132 Cb -0.05 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2k27 h ILE 132 CO -0.05 0.10 0.51 0.08 0.00 0.00 0.00 178.15 178.79 2k27 h ARG 133 N 0.00 0.72 0.00 2.37 0.11 -1.68 0.30 114.38 116.19 2k27 h ARG 133 Ca -0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 2k27 h ARG 133 Cb 0.21 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2k27 h ARG 133 CO 0.01 0.48 -0.19 1.79 0.10 0.00 0.00 179.97 182.16 2k27 h THR 134 N 0.74 1.09 0.07 0.08 1.35 -1.73 -2.52 112.91 111.99 2k27 h THR 134 Ca 0.36 -0.65 -0.16 0.00 -0.55 0.00 0.00 66.41 65.41 2k27 h THR 134 Cb 0.41 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2k27 h THR 134 CO -0.13 0.18 -0.79 0.11 -0.25 0.00 0.00 175.52 174.64 2k27 h LYS 135 N 0.00 0.14 -1.24 4.72 6.56 -1.20 -3.46 116.57 122.09 2k27 h LYS 135 Ca -0.00 -0.24 -0.04 0.00 -1.06 0.00 0.00 60.65 59.30 2k27 h LYS 135 Cb 0.34 0.09 -0.23 0.00 -0.57 0.00 0.00 32.23 31.86 2k27 h LYS 135 CO 0.02 1.12 -0.43 0.54 -2.06 0.00 0.00 179.45 178.64 2k27 s VAL 136 N -2.36 -0.88 0.35 0.50 0.11 -0.13 -5.15 120.40 112.83 2k27 s VAL 136 Ca -0.19 -0.10 0.08 0.00 -2.93 0.00 0.00 61.98 58.84 2k27 s VAL 136 Cb 0.01 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2k27 s VAL 136 CO 0.73 -0.10 0.14 0.00 -3.33 0.00 0.00 175.10 172.54 2k27 s GLN 137 N 2.73 2.33 -0.07 1.54 1.03 -0.96 -4.25 119.66 122.00 2k27 s GLN 137 Ca 0.10 -1.59 0.00 0.00 0.04 0.00 0.00 55.36 53.91 2k27 s GLN 137 Cb -0.11 -2.14 -0.03 0.00 0.03 0.00 0.00 33.01 30.76 2k27 s GLN 137 CO -0.27 0.09 -0.05 -0.65 -2.54 0.00 0.00 175.29 171.86 2k27 s GLN 138 N -3.84 2.80 0.86 9.60 -1.52 -1.26 -5.11 119.66 121.18 2k27 s GLN 138 Ca 0.38 -0.52 -0.12 0.00 -1.95 0.00 0.00 55.36 53.16 2k27 s GLN 138 Cb -0.02 -2.64 0.10 0.00 -0.22 0.00 0.00 33.01 30.24 2k27 s GLN 138 CO 0.22 0.67 1.10 -1.25 -0.25 0.00 0.00 175.29 175.78 2k27 s PRO 139 N -0.82 1.60 -1.53 2.91 0.04 -1.26 -4.91 135.00 131.02 2k27 s PRO 139 Ca 0.12 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 2k27 s PRO 139 Cb -0.11 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2k27 s PRO 139 CO 0.02 -1.98 2.63 1.19 0.04 0.00 0.00 177.00 178.90 2k27 n PHE 140 N -3.68 2.82 -3.48 0.56 3.72 -1.26 -4.78 117.46 111.35 2k27 n PHE 140 Ca 0.07 -3.02 -0.15 0.00 -0.05 0.00 0.00 57.45 54.30 2k27 n PHE 140 Cb 0.56 -2.44 -0.04 0.00 -0.94 0.00 0.00 39.48 36.62 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 2.29 -0.60 -0.45 4.37 2.47 -1.26 -5.13 114.94 116.64 2k27 s ASN 141 Ca 0.60 0.37 0.06 0.00 0.42 0.00 0.00 52.86 54.30 2k27 s ASN 141 Cb 0.16 0.55 0.20 0.00 -1.45 0.00 0.00 41.25 40.71 2k27 s ASN 141 CO -0.07 -0.76 0.54 -0.11 -3.72 0.00 0.00 177.10 172.98 2k27 n LEU 142 N 0.30 -1.49 -2.48 3.21 7.94 -1.26 -5.04 117.00 118.17 2k27 n LEU 142 Ca -0.17 -3.90 -0.24 0.00 -1.11 0.00 0.00 56.01 50.60 2k27 n LEU 142 Cb 0.61 0.66 -0.09 0.00 0.53 0.00 0.00 43.42 45.12 2k27 n LEU 142 CO 0.18 1.93 1.87 -0.81 -1.11 0.00 0.00 177.39 179.45 2k27 n PRO 143 N 2.51 2.60 -2.07 1.96 -0.04 -1.26 -4.81 135.00 133.90 2k27 n PRO 143 Ca 0.23 -1.91 -0.42 0.00 -0.04 0.00 0.00 63.50 61.36 2k27 n PRO 143 Cb 0.53 -2.20 -0.00 0.00 -0.04 0.00 0.00 33.50 31.78 2k27 n PRO 143 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2k27 n MET 144 N 1.89 3.59 -2.46 0.54 2.81 -1.26 -4.96 117.12 117.26 2k27 n MET 144 Ca 0.51 -3.20 -0.41 0.00 -1.81 0.00 0.00 57.70 52.78 2k27 n MET 144 Cb 0.64 -2.96 -0.03 0.00 -0.71 0.00 0.00 33.22 30.15 2k27 n MET 144 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k27 s ASP 145 N 1.42 7.16 -0.41 7.83 2.15 -1.26 -4.98 116.67 128.58 2k27 s ASP 145 Ca 0.45 2.06 0.09 0.00 0.43 0.00 0.00 52.55 55.59 2k27 s ASP 145 Cb 0.13 -2.59 0.31 0.00 -0.30 0.00 0.00 42.92 40.46 2k27 s ASP 145 CO -0.04 -0.35 0.78 -1.20 -0.17 0.00 0.00 175.17 174.19 2k27 n SER 146 N 3.13 -0.40 -3.68 -0.34 7.64 -1.26 -5.09 113.62 113.62 2k27 n SER 146 Ca 0.06 -3.11 -0.10 0.00 1.01 0.00 0.00 58.87 56.73 2k27 n SER 146 Cb 0.46 0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.74 2k27 n SER 146 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2k27 s GLY 147 N -1.81 -0.36 -0.10 0.23 0.00 -1.26 -5.17 107.32 98.86 2k27 s GLY 147 Ca 0.34 1.58 -0.27 0.00 0.00 0.00 0.00 44.72 46.37 2k27 s GLY 147 CO -0.10 1.95 0.63 0.00 0.00 0.00 0.00 173.10 175.58 2k27 s ALA 148 N 1.77 -1.63 0.88 3.20 0.00 -1.26 -5.18 121.76 119.55 2k27 s ALA 148 Ca -0.07 1.36 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 2k27 s ALA 148 Cb -0.09 -0.29 0.12 0.00 0.00 0.00 0.00 23.12 22.86 2k27 s ALA 148 CO -0.13 -0.34 1.17 -1.25 0.00 0.00 0.00 175.76 175.21 2k27 s PRO 149 N -0.78 1.37 -0.29 0.00 0.04 -1.26 -5.10 135.00 128.98 2k27 s PRO 149 Ca -0.08 0.14 -0.28 0.00 0.04 0.00 0.00 61.00 60.82 2k27 s PRO 149 Cb -0.02 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.83 2k27 s PRO 149 CO 0.07 -2.01 1.37 0.20 0.04 0.00 0.00 177.00 176.67 2k27 s GLY 150 N -4.33 0.16 0.00 0.56 0.00 -1.26 -5.20 107.32 97.25 2k27 s GLY 150 Ca 0.64 3.03 0.00 0.00 0.00 0.00 0.00 44.72 48.40 2k27 s GLY 150 CO 0.52 1.38 0.00 0.61 0.00 0.00 0.00 173.10 175.61 2k27 n GLY 151 N 0.88 -0.53 0.00 0.20 0.00 -1.26 -5.20 105.19 99.29 2k27 n GLY 151 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.19 0.79 3.51 -0.02 0.00 -1.26 -5.19 105.19 102.84 2k27 n GLY 152 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 2k27 n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k27 s SER 153 N 0.00 -0.54 -0.03 1.61 0.15 -1.26 -5.19 113.70 108.45 2k27 s SER 153 Ca 0.00 0.42 -0.29 0.00 0.70 0.00 0.00 55.95 56.78 2k27 s SER 153 Cb 0.00 0.48 0.09 0.00 -1.71 0.00 0.00 66.02 64.87 2k27 s SER 153 CO 0.00 -0.62 0.77 -2.28 1.20 0.00 0.00 173.24 172.31 2k27 s HIS 154 N -1.91 -0.52 -0.07 3.44 2.46 -1.26 -5.18 115.29 112.26 2k27 s HIS 154 Ca -0.05 0.70 -0.20 0.00 0.47 0.00 0.00 55.06 55.98 2k27 s HIS 154 Cb -0.00 0.47 0.04 0.00 -0.13 0.00 0.00 32.58 32.96 2k27 s HIS 154 CO 0.01 -0.59 0.47 -1.58 -2.47 0.00 0.00 174.74 170.58 2k27 s HIS 155 N -2.02 -0.41 0.18 3.88 2.46 -1.26 -5.18 115.29 112.94 2k27 s HIS 155 Ca -0.04 0.78 -0.16 0.00 0.47 0.00 0.00 55.06 56.12 2k27 s HIS 155 Cb -0.00 0.21 0.02 0.00 -0.13 0.00 0.00 32.58 32.68 2k27 s HIS 155 CO 0.00 -0.43 0.46 -1.58 -2.47 0.00 0.00 174.74 170.73 2k27 s HIS 156 N -0.90 -0.04 0.13 3.88 5.04 -1.26 -5.19 115.29 116.95 2k27 s HIS 156 Ca -0.10 -0.30 -0.24 0.00 -1.54 0.00 0.00 55.06 52.88 2k27 s HIS 156 Cb -0.03 0.29 0.07 0.00 0.04 0.00 0.00 32.58 32.95 2k27 s HIS 156 CO 0.05 -0.85 0.66 -3.38 -2.34 0.00 0.00 174.74 168.89 2k27 s HIS 157 N -3.88 -0.49 0.47 3.88 -3.43 -1.26 -5.16 115.29 105.43 2k27 s HIS 157 Ca 0.10 0.28 -0.22 0.00 -0.80 0.00 0.00 55.06 54.41 2k27 s HIS 157 Cb 0.00 0.56 -0.07 0.00 -1.43 0.00 0.00 32.58 31.64 2k27 s HIS 157 CO -0.04 -0.81 1.16 -3.38 -2.00 0.00 0.00 174.74 169.68 2k27 s HIS 158 N -3.63 2.85 -2.00 0.38 -3.43 -1.26 -5.39 115.29 102.81 2k27 s HIS 158 Ca 0.02 1.53 0.26 0.00 -0.80 0.00 0.00 55.06 56.08 2k27 s HIS 158 Cb -0.01 -3.38 1.58 0.00 -1.43 0.00 0.00 32.58 29.34 2k27 s HIS 158 CO -0.11 -1.53 1.93 -2.39 -2.00 0.00 0.00 174.74 170.64