#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 2.80 0.36 0.03 -0.04 -1.26 -4.75 135.00 132.15 2k27 n PRO 2 Ca 0.00 -2.72 -0.15 0.00 -0.04 0.00 0.00 63.50 60.59 2k27 n PRO 2 Cb 0.00 -3.33 -0.07 0.00 -0.04 0.00 0.00 33.50 30.06 2k27 n PRO 2 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k27 h HIS 3 N 6.69 -0.88 -2.02 0.54 2.76 -2.15 -3.50 115.15 116.59 2k27 h HIS 3 Ca 0.51 -0.02 0.21 0.00 -2.20 0.00 0.00 60.37 58.87 2k27 h HIS 3 Cb 0.71 0.29 -0.10 0.00 1.55 0.00 0.00 27.41 29.86 2k27 h HIS 3 CO 1.43 -0.55 -0.68 -1.71 -1.30 0.00 0.00 177.93 175.12 2k27 n ASN 4 N -5.10 -4.72 -3.40 3.26 2.85 -1.26 -4.98 115.26 101.91 2k27 n ASN 4 Ca -0.12 0.78 -0.19 0.00 -0.11 0.00 0.00 54.58 54.94 2k27 n ASN 4 Cb 0.37 -2.84 -0.10 0.00 1.24 0.00 0.00 39.78 38.46 2k27 n ASN 4 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2k27 s SER 5 N -6.03 1.73 0.16 1.20 0.15 -1.26 -5.14 113.70 104.51 2k27 s SER 5 Ca 0.00 -1.16 -0.30 0.00 0.70 0.00 0.00 55.95 55.19 2k27 s SER 5 Cb 0.00 0.40 -0.08 0.00 -1.71 0.00 0.00 66.02 64.64 2k27 s SER 5 CO 0.00 -0.35 1.18 0.27 1.20 0.00 0.00 173.24 175.55 2k27 s ILE 6 N 1.95 3.70 0.17 6.45 -5.25 -1.26 -5.03 121.20 121.93 2k27 s ILE 6 Ca 0.12 1.39 -0.08 0.00 -0.99 0.00 0.00 60.65 61.09 2k27 s ILE 6 Cb -0.15 -3.89 -0.01 0.00 2.95 0.00 0.00 42.46 41.36 2k27 s ILE 6 CO -0.21 0.20 0.28 -0.13 -1.79 0.00 0.00 174.94 173.29 2k27 s ARG 7 N -0.00 1.18 -0.19 0.37 0.52 -1.26 -5.17 118.95 114.39 2k27 s ARG 7 Ca 0.53 -1.23 -0.10 0.00 -0.52 0.00 0.00 55.73 54.42 2k27 s ARG 7 Cb -0.32 0.37 0.07 0.00 0.52 0.00 0.00 34.95 35.59 2k27 s ARG 7 CO 0.35 -0.43 0.46 0.45 0.02 0.00 0.00 175.30 176.15 2k27 s SER 8 N -2.99 -0.56 0.77 0.23 0.15 -1.26 -5.18 113.70 104.87 2k27 s SER 8 Ca 0.19 1.02 -0.09 0.00 0.70 0.00 0.00 55.95 57.78 2k27 s SER 8 Cb 0.03 0.97 0.10 0.00 -1.71 0.00 0.00 66.02 65.42 2k27 s SER 8 CO 0.02 -0.21 1.10 -0.83 1.20 0.00 0.00 173.24 174.52 2k27 s GLY 9 N 1.63 1.70 0.12 9.45 0.00 -1.26 -5.12 107.32 113.84 2k27 s GLY 9 Ca -0.09 -1.04 -0.25 0.00 0.00 0.00 0.00 44.72 43.35 2k27 s GLY 9 CO -0.14 -0.53 0.71 -2.38 0.00 0.00 0.00 173.10 170.76 2k27 s HIS 10 N -3.41 -0.43 -0.17 1.90 -3.43 -1.26 -5.19 115.29 103.29 2k27 s HIS 10 Ca 0.64 0.22 0.00 0.00 -0.80 0.00 0.00 55.06 55.12 2k27 s HIS 10 Cb -0.09 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 2k27 s HIS 10 CO 0.47 -0.80 0.00 0.41 -2.00 0.00 0.00 174.74 172.82 2k27 n GLY 11 N -0.35 -1.01 3.56 -1.38 0.00 -1.26 -5.18 105.19 99.56 2k27 n GLY 11 Ca -0.13 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 2k27 n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k27 s GLY 12 N 0.00 -0.56 -1.34 -0.02 0.00 -1.26 -5.08 107.32 99.05 2k27 s GLY 12 Ca 0.00 1.56 -0.15 0.00 0.00 0.00 0.00 44.72 46.12 2k27 s GLY 12 CO 0.00 1.22 1.88 1.04 0.00 0.00 0.00 173.10 177.24 2k27 n LEU 13 N 1.48 5.79 -4.87 0.66 7.99 -1.26 -4.96 117.00 121.83 2k27 n LEU 13 Ca -0.17 -4.13 -0.31 0.00 -0.01 0.00 0.00 56.01 51.38 2k27 n LEU 13 Cb 0.56 -1.68 -0.05 0.00 -0.11 0.00 0.00 43.42 42.15 2k27 n LEU 13 CO 0.17 0.67 0.35 0.21 -1.51 0.00 0.00 177.39 177.28 2k27 s ASN 14 N 3.38 6.65 0.16 -1.43 3.84 -1.26 -5.10 114.94 121.17 2k27 s ASN 14 Ca 0.49 1.10 -0.22 0.00 0.21 0.00 0.00 52.86 54.44 2k27 s ASN 14 Cb 0.07 -2.30 0.06 0.00 -0.55 0.00 0.00 41.25 38.53 2k27 s ASN 14 CO 0.01 -0.21 0.58 0.00 -2.79 0.00 0.00 177.10 174.68 2k27 s GLN 15 N -3.19 1.28 -0.11 0.43 0.00 -1.26 -5.19 119.66 111.61 2k27 s GLN 15 Ca 0.51 -0.52 -0.21 0.00 -0.00 0.00 0.00 55.36 55.14 2k27 s GLN 15 Cb -0.11 0.58 0.05 0.00 0.00 0.00 0.00 33.01 33.53 2k27 s GLN 15 CO 0.23 -0.55 0.51 -1.17 0.00 0.00 0.00 175.29 174.30 2k27 s LEU 16 N -2.76 0.04 -0.13 2.60 0.20 -1.26 -5.17 118.68 112.19 2k27 s LEU 16 Ca 0.02 0.73 -0.15 0.00 0.69 0.00 0.00 54.13 55.42 2k27 s LEU 16 Cb -0.01 1.86 0.04 0.00 -0.43 0.00 0.00 46.19 47.65 2k27 s LEU 16 CO -0.12 -0.36 0.40 -0.83 -0.29 0.00 0.00 176.35 175.16 2k27 s GLY 17 N -0.50 -0.29 0.34 7.98 0.00 -1.26 -5.18 107.32 108.41 2k27 s GLY 17 Ca -0.06 1.04 0.06 0.00 0.00 0.00 0.00 44.72 45.76 2k27 s GLY 17 CO 0.04 0.87 0.32 -0.32 0.00 0.00 0.00 173.10 174.01 2k27 s GLY 18 N -0.04 2.23 0.22 0.20 0.00 -1.26 -5.14 107.32 103.53 2k27 s GLY 18 Ca -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.70 2k27 s GLY 18 CO 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 173.10 171.72 2k27 n ALA 19 N -0.63 -2.46 -2.53 3.20 0.00 -1.26 -4.67 120.51 112.16 2k27 n ALA 19 Ca 0.07 0.30 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2k27 n ALA 19 Cb 0.62 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 2k27 n ALA 19 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2k27 s PHE 20 N -1.57 3.00 0.00 0.00 -0.12 -1.26 -4.81 117.98 113.22 2k27 s PHE 20 Ca 0.00 1.13 0.00 0.00 -0.05 0.00 0.00 56.93 58.01 2k27 s PHE 20 Cb 0.00 -3.59 0.00 0.00 -0.63 0.00 0.00 43.02 38.80 2k27 s PHE 20 CO 0.00 -1.18 0.00 0.28 -0.05 0.00 0.00 175.22 174.27 2k27 n VAL 21 N 5.67 0.00 -3.78 -2.49 0.31 -1.25 -5.04 118.33 111.75 2k27 n VAL 21 Ca 0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 2k27 n VAL 21 Cb 0.46 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.28 2k27 n VAL 21 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2k27 s ASN 22 N 1.00 -0.28 0.00 4.52 0.01 -1.26 -4.78 114.94 114.15 2k27 s ASN 22 Ca 0.00 0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.68 2k27 s ASN 22 Cb 0.00 0.56 0.00 0.00 0.41 0.00 0.00 41.25 42.22 2k27 s ASN 22 CO 0.00 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.08 2k27 n GLY 23 N 2.84 2.67 2.56 0.66 0.00 -1.26 -4.90 105.19 107.76 2k27 n GLY 23 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2k27 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k27 n ARG 24 N -2.00 2.24 -2.31 1.61 3.00 -1.26 -5.10 116.66 112.83 2k27 n ARG 24 Ca 0.00 -4.26 -0.41 0.00 -0.01 0.00 0.00 57.85 53.17 2k27 n ARG 24 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 32.46 30.44 2k27 n ARG 24 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2k27 s PRO 25 N -2.76 4.50 0.10 5.56 0.04 -1.26 -3.96 135.00 137.21 2k27 s PRO 25 Ca 0.43 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2k27 s PRO 25 Cb 0.26 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2k27 s PRO 25 CO -0.10 0.01 0.00 -0.11 0.04 0.00 0.00 177.00 176.84 2k27 n LEU 26 N 1.24 -0.77 0.00 -3.56 7.94 -1.26 -4.97 117.00 115.62 2k27 n LEU 26 Ca 0.00 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 2k27 n LEU 26 Cb 0.43 1.04 0.00 0.00 0.53 0.00 0.00 43.42 45.43 2k27 n LEU 26 CO 0.56 -0.37 0.00 -0.81 -1.11 0.00 0.00 177.39 175.67 2k27 n PRO 27 N -2.71 1.13 -0.43 1.96 -0.04 -1.26 -4.52 135.00 129.13 2k27 n PRO 27 Ca 0.00 0.00 0.38 0.00 -0.04 0.00 0.00 63.50 63.84 2k27 n PRO 27 Cb 0.00 0.00 0.65 0.00 -0.04 0.00 0.00 33.50 34.11 2k27 n PRO 27 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k27 n GLU 28 N 0.00 -0.04 -0.41 0.54 0.00 -1.26 -1.42 120.64 118.06 2k27 n GLU 28 Ca 0.00 1.26 0.39 0.00 0.00 0.00 0.00 57.16 58.82 2k27 n GLU 28 Cb 0.00 -2.44 0.77 0.00 0.00 0.00 0.00 31.44 29.77 2k27 n GLU 28 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2k27 h VAL 29 N 0.00 0.31 -0.46 6.31 3.04 -1.94 0.89 116.25 124.40 2k27 h VAL 29 Ca 0.86 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 66.63 2k27 h VAL 29 Cb 2.67 0.32 -0.07 0.00 -2.01 0.00 0.00 31.29 32.19 2k27 h VAL 29 CO -0.53 0.00 0.06 1.62 -1.01 0.00 0.00 177.57 177.71 2k27 h VAL 30 N 0.00 0.70 0.08 1.51 3.04 -1.54 -0.93 116.25 119.10 2k27 h VAL 30 Ca 0.65 -0.06 0.02 0.00 -1.01 0.00 0.00 66.70 66.29 2k27 h VAL 30 Cb 2.60 0.51 -0.03 0.00 -2.01 0.00 0.00 31.29 32.36 2k27 h VAL 30 CO -0.01 0.03 -0.18 -0.09 -1.01 0.00 0.00 177.57 176.32 2k27 h ARG 31 N 0.18 -0.32 -0.11 4.17 1.12 -1.05 -1.18 114.38 117.20 2k27 h ARG 31 Ca 0.23 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.16 2k27 h ARG 31 Cb 0.32 0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 30.31 2k27 h ARG 31 CO -0.34 -0.21 -0.15 1.96 -3.11 0.00 0.00 179.97 178.12 2k27 h GLN 32 N -0.33 -0.20 -0.07 0.20 1.08 -1.51 -0.43 115.11 113.85 2k27 h GLN 32 Ca 0.03 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 2k27 h GLN 32 Cb 0.36 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2k27 h GLN 32 CO -0.11 -0.13 -0.05 0.00 -0.95 0.00 0.00 178.83 177.58 2k27 h ARG 33 N -0.20 -0.06 -0.76 1.46 3.08 -0.96 -0.16 114.38 116.78 2k27 h ARG 33 Ca 0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2k27 h ARG 33 Cb 0.33 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2k27 h ARG 33 CO -0.23 -0.04 0.28 0.82 -1.07 0.00 0.00 179.97 179.73 2k27 h ILE 34 N -0.06 1.26 0.39 2.04 1.08 -1.03 -0.64 117.51 120.55 2k27 h ILE 34 Ca 0.05 -0.86 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 2k27 h ILE 34 Cb 0.13 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2k27 h ILE 34 CO -0.11 0.34 -0.21 0.58 -0.69 0.00 0.00 178.15 178.07 2k27 h VAL 35 N 1.12 0.57 -0.85 1.67 2.07 -0.80 -0.43 116.25 119.60 2k27 h VAL 35 Ca 0.25 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.82 2k27 h VAL 35 Cb 0.26 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2k27 h VAL 35 CO -0.02 0.00 0.54 0.44 0.02 0.00 0.00 177.57 178.55 2k27 h ASP 36 N -0.56 0.87 0.58 0.57 3.32 -0.83 -0.45 116.42 119.93 2k27 h ASP 36 Ca -0.05 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2k27 h ASP 36 Cb 0.44 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.82 2k27 h ASP 36 CO 0.07 0.58 -0.28 0.25 -1.72 0.00 0.00 179.24 178.14 2k27 h LEU 37 N 1.02 -0.66 -1.13 1.55 5.85 -1.04 -3.21 115.31 117.69 2k27 h LEU 37 Ca 0.35 -0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.23 2k27 h LEU 37 Cb 0.08 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 2k27 h LEU 37 CO -0.14 -0.33 0.61 0.00 -0.34 0.00 0.00 178.44 178.24 2k27 h ALA 38 N -0.74 1.80 -0.45 1.25 0.00 -0.80 -2.23 119.26 118.09 2k27 h ALA 38 Ca -0.08 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2k27 h ALA 38 Cb 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2k27 h ALA 38 CO 0.13 -0.15 0.32 1.25 0.00 0.00 0.00 179.25 180.80 2k27 h HIS 39 N 0.69 0.09 0.00 0.00 -0.00 -1.08 -0.70 115.15 114.15 2k27 h HIS 39 Ca 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.92 2k27 h HIS 39 Cb 0.96 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2k27 h HIS 39 CO -0.00 0.04 -0.03 -0.56 -0.00 0.00 0.00 177.93 177.38 2k27 h GLN 40 N 0.08 0.00 0.00 5.26 3.07 -1.50 -3.46 115.11 118.56 2k27 h GLN 40 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 2k27 h GLN 40 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.29 2k27 h GLN 40 CO -0.02 0.03 0.00 0.41 0.09 0.00 0.00 178.83 179.34 2k27 n GLY 41 N -0.92 0.81 3.72 0.06 0.00 -0.27 -5.10 105.19 103.49 2k27 n GLY 41 Ca -0.02 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 2k27 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k27 s VAL 42 N -1.68 5.09 0.57 1.61 1.01 -1.20 -5.07 120.40 120.73 2k27 s VAL 42 Ca 0.00 1.25 -0.18 0.00 0.00 0.00 0.00 61.98 63.04 2k27 s VAL 42 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2k27 s VAL 42 CO 0.00 0.29 1.13 -0.13 0.00 0.00 0.00 175.10 176.40 2k27 s ARG 43 N 0.64 3.20 0.21 2.72 0.52 -1.26 -4.82 118.95 120.16 2k27 s ARG 43 Ca 0.33 1.59 -0.09 0.00 -0.52 0.00 0.00 55.73 57.03 2k27 s ARG 43 Cb -0.17 -1.99 0.26 0.00 0.52 0.00 0.00 34.95 33.57 2k27 s ARG 43 CO 0.15 -0.97 1.78 -1.00 0.02 0.00 0.00 175.30 175.28 2k27 h PRO 44 N 0.93 0.53 -0.74 3.54 0.13 -2.00 0.45 132.00 134.84 2k27 h PRO 44 Ca -0.49 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2k27 h PRO 44 Cb 1.26 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2k27 h PRO 44 CO 0.56 0.35 0.41 0.00 -0.23 0.00 0.00 178.00 179.09 2k27 h ASP 46 N 1.03 0.42 0.17 0.00 3.58 -1.36 -2.72 116.42 117.54 2k27 h ASP 46 Ca 0.26 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.51 2k27 h ASP 46 Cb 0.01 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2k27 h ASP 46 CO -0.04 0.86 -0.22 0.40 -2.88 0.00 0.00 179.24 177.36 2k27 h ILE 47 N 0.30 0.53 -0.39 2.25 2.04 -0.89 -2.72 117.51 118.62 2k27 h ILE 47 Ca 0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2k27 h ILE 47 Cb 1.00 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.53 2k27 h ILE 47 CO 0.09 0.00 -0.12 0.28 0.00 0.00 0.00 178.15 178.40 2k27 h SER 48 N -0.44 -0.43 -0.22 1.72 0.02 -1.26 -0.70 113.55 112.23 2k27 h SER 48 Ca 0.01 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2k27 h SER 48 Cb 0.43 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2k27 h SER 48 CO -0.08 -0.16 0.06 0.08 -1.14 0.00 0.00 176.83 175.60 2k27 h ARG 49 N -0.03 0.35 -0.89 3.45 0.11 -1.50 0.07 114.38 115.94 2k27 h ARG 49 Ca 0.19 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 60.19 2k27 h ARG 49 Cb 0.32 -0.05 -0.04 0.00 1.11 0.00 0.00 29.97 31.31 2k27 h ARG 49 CO -0.42 0.45 0.55 1.96 0.10 0.00 0.00 179.97 182.61 2k27 h GLN 50 N 0.19 1.19 -0.04 0.08 4.20 -1.12 -1.01 115.11 118.61 2k27 h GLN 50 Ca 0.07 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2k27 h GLN 50 Cb 0.25 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2k27 h GLN 50 CO -0.00 0.82 0.00 1.28 -0.67 0.00 0.00 178.83 180.26 2k27 n LEU 51 N -4.37 0.92 -3.96 1.46 7.99 -0.31 -4.96 117.00 113.76 2k27 n LEU 51 Ca 0.10 -0.33 -0.37 0.00 -0.01 0.00 0.00 56.01 55.39 2k27 n LEU 51 Cb 0.05 -0.02 0.01 0.00 -0.11 0.00 0.00 43.42 43.35 2k27 n LEU 51 CO 0.37 0.17 -0.18 -2.11 -1.51 0.00 0.00 177.39 174.13 2k27 n ARG 52 N -0.25 -1.05 -3.15 3.23 1.85 -0.20 -5.00 116.66 112.08 2k27 n ARG 52 Ca 0.19 0.24 -0.10 0.00 -1.00 0.00 0.00 57.85 57.19 2k27 n ARG 52 Cb 0.24 -3.43 -0.04 0.00 -1.05 0.00 0.00 32.46 28.18 2k27 n ARG 52 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2k27 n VAL 53 N -4.64 0.00 -0.00 8.89 0.24 -0.16 -5.02 118.33 117.63 2k27 n VAL 53 Ca -0.16 -1.25 -0.00 0.00 -2.04 0.00 0.00 64.34 60.89 2k27 n VAL 53 Cb 0.60 0.63 -0.00 0.00 -1.47 0.00 0.00 33.84 33.60 2k27 n VAL 53 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k27 n SER 54 N -2.30 0.10 0.00 -1.34 7.64 -1.26 -4.30 113.62 112.16 2k27 n SER 54 Ca 0.04 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2k27 n SER 54 Cb 0.31 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2k27 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k27 n HIS 55 N -2.60 -0.47 -0.27 1.43 1.44 -1.26 -4.78 115.22 108.71 2k27 n HIS 55 Ca -0.01 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.69 2k27 n HIS 55 Cb 0.02 0.09 0.11 0.00 0.12 0.00 0.00 29.99 30.34 2k27 n HIS 55 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2k27 h GLY 56 N 0.00 1.13 1.45 -1.39 0.00 -2.02 -2.21 103.07 100.03 2k27 h GLY 56 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 47.33 46.80 2k27 h GLY 56 CO 0.00 0.23 -0.74 0.00 0.00 0.00 0.00 176.54 176.03 2k27 h VAL 58 N 0.37 0.74 -0.12 0.00 2.07 -1.75 -0.75 116.25 116.80 2k27 h VAL 58 Ca -0.04 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.31 2k27 h VAL 58 Cb 1.33 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2k27 h VAL 58 CO 0.14 0.11 -0.52 -1.28 0.02 0.00 0.00 177.57 176.03 2k27 h SER 59 N 0.60 -1.66 -0.00 0.57 0.87 -1.55 -0.04 113.55 112.35 2k27 h SER 59 Ca 0.44 0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 61.10 2k27 h SER 59 Cb 0.61 0.65 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 2k27 h SER 59 CO -0.35 -0.48 -0.31 0.07 -0.53 0.00 0.00 176.83 175.23 2k27 h LYS 60 N -0.58 0.45 -0.76 2.24 2.10 -1.57 -1.70 116.57 116.75 2k27 h LYS 60 Ca 0.04 -0.19 -0.04 0.00 -2.00 0.00 0.00 60.65 58.45 2k27 h LYS 60 Cb 0.68 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.96 2k27 h LYS 60 CO -0.43 0.72 0.30 0.82 -2.00 0.00 0.00 179.45 178.86 2k27 h ILE 61 N 0.39 1.26 -0.38 0.07 2.04 -0.76 -2.58 117.51 117.55 2k27 h ILE 61 Ca 0.05 -0.81 -0.12 0.00 1.00 0.00 0.00 64.86 64.98 2k27 h ILE 61 Cb 0.74 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2k27 h ILE 61 CO 0.06 0.33 -0.23 -0.07 0.00 0.00 0.00 178.15 178.23 2k27 h LEU 62 N 1.11 0.87 0.00 1.44 -0.00 -0.88 -3.46 115.31 114.39 2k27 h LEU 62 Ca 0.25 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 2k27 h LEU 62 Cb 0.22 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2k27 h LEU 62 CO -0.02 1.10 0.00 0.61 -0.00 0.00 0.00 178.44 180.13 2k27 n GLY 63 N -0.00 0.29 0.20 0.83 0.00 -0.66 -4.77 105.19 101.08 2k27 n GLY 63 Ca -0.02 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 0.69 0.00 1.61 -0.00 -1.61 -3.41 114.38 111.66 2k27 h ARG 64 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 59.98 59.36 2k27 h ARG 64 Cb 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 2k27 h ARG 64 CO 0.00 1.23 0.00 2.48 -0.00 0.00 0.00 179.97 183.68 2k27 n TYR 65 N -4.00 0.00 -2.36 4.08 0.18 -1.26 -4.98 117.16 108.82 2k27 n TYR 65 Ca -0.09 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.66 2k27 n TYR 65 Cb 0.75 -0.08 0.05 0.00 -0.38 0.00 0.00 39.34 39.67 2k27 n TYR 65 CO 0.00 0.00 0.00 2.48 -2.08 0.00 0.00 176.86 177.26 2k27 n TYR 66 N -1.85 -1.05 -2.88 -3.48 4.11 -1.26 -4.97 117.16 105.77 2k27 n TYR 66 Ca 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 57.90 56.89 2k27 n TYR 66 Cb 0.00 1.03 0.00 0.00 -0.00 0.00 0.00 39.34 40.37 2k27 n TYR 66 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2k27 n GLU 67 N -0.78 0.00 -0.96 -3.48 1.02 -1.26 -2.10 120.64 113.07 2k27 n GLU 67 Ca -0.17 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.86 2k27 n GLU 67 Cb 0.73 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 32.36 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 2.82 0.00 2.62 -2.24 -1.26 -4.96 114.28 111.26 2k27 n THR 68 Ca 0.00 -2.30 0.00 0.00 -2.27 0.00 0.00 64.05 59.48 2k27 n THR 68 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.01 0.63 2.70 3.38 0.00 -0.89 -4.30 105.19 105.70 2k27 n GLY 69 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 2k27 n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k27 n SER 70 N 0.00 -0.35 -3.09 1.61 3.41 -1.26 -4.65 113.62 109.29 2k27 n SER 70 Ca 0.00 -2.44 -0.34 0.00 -0.26 0.00 0.00 58.87 55.83 2k27 n SER 70 Cb 0.00 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 2k27 n SER 70 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2k27 n ILE 71 N -0.59 4.42 -3.20 -1.33 5.41 -1.26 -4.62 119.36 118.19 2k27 n ILE 71 Ca -0.00 -3.37 -0.24 0.00 1.00 0.00 0.00 62.75 60.14 2k27 n ILE 71 Cb 0.84 -2.09 -0.07 0.00 -0.71 0.00 0.00 39.64 37.61 2k27 n ILE 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2k27 n ARG 72 N 2.05 0.63 -1.51 0.38 5.12 -1.26 -4.76 116.66 117.32 2k27 n ARG 72 Ca 0.61 -3.15 -0.31 0.00 -1.93 0.00 0.00 57.85 53.07 2k27 n ARG 72 Cb 0.37 -1.29 0.06 0.00 -1.16 0.00 0.00 32.46 30.44 2k27 n ARG 72 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2k27 s PRO 73 N -0.92 2.79 0.00 5.56 0.04 -1.26 -5.05 135.00 136.16 2k27 s PRO 73 Ca 0.35 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2k27 s PRO 73 Cb 0.15 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2k27 s PRO 73 CO -0.13 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.10 2k27 n GLY 74 N -1.77 1.83 3.63 0.56 0.00 -1.26 -5.17 105.19 103.01 2k27 n GLY 74 Ca 0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.11 -0.61 -0.01 1.61 0.11 -1.26 -5.15 120.40 112.99 2k27 s VAL 75 Ca 0.00 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 2k27 s VAL 75 Cb 0.00 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 2k27 s VAL 75 CO 0.00 0.00 1.18 -0.63 -3.33 0.00 0.00 175.10 172.32 2k27 s ILE 76 N 2.40 4.24 0.00 7.04 1.01 -1.26 -4.87 121.20 129.77 2k27 s ILE 76 Ca -0.07 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.16 2k27 s ILE 76 Cb -0.09 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2k27 s ILE 76 CO -0.19 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.41 2k27 n GLY 77 N 3.27 -0.91 3.69 6.18 0.00 -1.26 -5.05 105.19 111.10 2k27 n GLY 77 Ca 0.10 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.91 -0.33 0.38 -0.02 0.00 -1.26 -5.16 107.32 98.01 2k27 s GLY 78 Ca 0.00 0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.96 2k27 s GLY 78 CO 0.00 0.85 1.08 -1.35 0.00 0.00 0.00 173.10 173.68 2k27 s SER 79 N -3.09 6.78 -0.47 1.64 1.04 -1.26 -5.02 113.70 113.31 2k27 s SER 79 Ca 0.16 2.13 0.06 0.00 0.48 0.00 0.00 55.95 58.78 2k27 s SER 79 Cb 0.03 -2.60 0.20 0.00 0.10 0.00 0.00 66.02 63.75 2k27 s SER 79 CO -0.02 -0.48 0.62 1.17 0.98 0.00 0.00 173.24 175.51 2k27 n LYS 80 N 0.15 0.48 -1.67 4.02 4.81 -1.26 -5.16 118.16 119.52 2k27 n LYS 80 Ca 0.04 -2.42 -0.31 0.00 -0.87 0.00 0.00 58.31 54.75 2k27 n LYS 80 Cb 0.48 -1.51 0.05 0.00 0.02 0.00 0.00 35.03 34.07 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 0.45 2.96 -0.38 1.64 0.04 -1.26 -5.06 135.00 133.39 2k27 s PRO 81 Ca 0.32 0.80 0.07 0.00 0.04 0.00 0.00 61.00 62.23 2k27 s PRO 81 Cb 0.06 -2.00 0.18 0.00 0.04 0.00 0.00 34.50 32.77 2k27 s PRO 81 CO -0.13 -1.04 0.59 0.21 0.04 0.00 0.00 177.00 176.68 2k27 s LYS 82 N -5.13 0.74 -0.03 4.56 2.47 -1.26 -5.16 119.74 115.93 2k27 s LYS 82 Ca 0.58 -0.13 0.06 0.00 -1.56 0.00 0.00 55.97 54.91 2k27 s LYS 82 Cb -0.13 0.05 -0.01 0.00 -1.46 0.00 0.00 37.83 36.28 2k27 s LYS 82 CO 0.54 -1.16 -0.22 0.08 0.16 0.00 0.00 175.35 174.76 2k27 s VAL 83 N 2.03 1.77 0.70 4.02 1.01 -1.26 -5.15 120.40 123.53 2k27 s VAL 83 Ca 0.15 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2k27 s VAL 83 Cb -0.06 -1.49 0.05 0.00 0.00 0.00 0.00 36.38 34.88 2k27 s VAL 83 CO -0.11 0.50 1.02 0.00 0.00 0.00 0.00 175.10 176.51 2k27 s ALA 84 N -0.30 3.10 0.02 5.51 0.00 -1.26 -5.12 121.76 123.71 2k27 s ALA 84 Ca 0.02 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.24 2k27 s ALA 84 Cb -0.11 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 2k27 s ALA 84 CO 0.01 -1.27 -0.25 -0.08 0.00 0.00 0.00 175.76 174.18 2k27 s THR 85 N -3.26 2.25 -0.11 0.00 -1.32 -1.26 -5.03 115.64 106.91 2k27 s THR 85 Ca 0.59 -1.24 0.27 0.00 -1.21 0.00 0.00 61.69 60.10 2k27 s THR 85 Cb -0.11 -1.86 0.27 0.00 -1.51 0.00 0.00 72.50 69.30 2k27 s THR 85 CO 0.46 0.44 1.81 1.55 -2.21 0.00 0.00 174.62 176.67 2k27 h PRO 86 N 5.00 0.00 -0.10 7.08 0.13 -2.02 -1.96 132.00 140.13 2k27 h PRO 86 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2k27 h PRO 86 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k27 h PRO 86 CO 0.45 0.00 0.07 -0.22 -0.23 0.00 0.00 178.00 178.08 2k27 h LYS 87 N 0.00 0.00 -0.87 0.86 3.64 -1.99 -0.44 116.57 117.76 2k27 h LYS 87 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2k27 h LYS 87 Cb 0.13 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 2k27 h LYS 87 CO 0.00 0.00 0.56 0.28 -2.27 0.00 0.00 179.45 178.02 2k27 h VAL 88 N 0.00 0.89 -0.05 2.00 2.07 -1.76 -1.03 116.25 118.38 2k27 h VAL 88 Ca 0.05 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2k27 h VAL 88 Cb 0.19 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2k27 h VAL 88 CO -0.00 0.14 -0.04 0.58 0.02 0.00 0.00 177.57 178.27 2k27 h VAL 89 N 0.75 1.36 -0.90 2.57 2.07 -1.28 -3.26 116.25 117.56 2k27 h VAL 89 Ca 0.43 -1.15 0.13 0.00 0.82 0.00 0.00 66.70 66.93 2k27 h VAL 89 Cb 0.59 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.32 2k27 h VAL 89 CO -0.19 0.31 0.58 -0.33 0.02 0.00 0.00 177.57 177.96 2k27 h GLU 90 N -0.33 0.76 -0.83 1.57 5.08 -1.17 -2.33 114.58 117.33 2k27 h GLU 90 Ca 0.01 -0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.50 2k27 h GLU 90 Cb 0.52 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2k27 h GLU 90 CO 0.01 0.50 0.55 0.87 -1.00 0.00 0.00 179.01 179.94 2k27 h LYS 91 N 0.78 0.41 -0.92 2.33 1.79 -1.25 0.02 116.57 119.73 2k27 h LYS 91 Ca 0.45 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.97 2k27 h LYS 91 Cb 0.61 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.10 2k27 h LYS 91 CO -0.21 0.27 0.58 0.82 -1.08 0.00 0.00 179.45 179.83 2k27 h ILE 92 N 0.42 1.02 -0.12 1.86 5.03 -1.56 -1.36 117.51 122.81 2k27 h ILE 92 Ca 0.42 -0.35 0.04 0.00 -0.12 0.00 0.00 64.86 64.86 2k27 h ILE 92 Cb 1.00 -0.09 -0.06 0.00 -3.03 0.00 0.00 36.82 34.65 2k27 h ILE 92 CO -0.15 0.19 -0.34 1.23 -0.68 0.00 0.00 178.15 178.40 2k27 h GLY 93 N 1.02 -0.50 1.00 5.37 0.00 -1.14 -0.94 103.07 107.88 2k27 h GLY 93 Ca 0.41 0.42 0.00 0.00 0.00 0.00 0.00 47.33 48.16 2k27 h GLY 93 CO -0.20 -0.22 0.01 -0.55 0.00 0.00 0.00 176.54 175.58 2k27 h ASP 94 N -0.42 0.02 -0.45 0.19 3.32 -1.32 -0.41 116.42 117.35 2k27 h ASP 94 Ca 0.09 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2k27 h ASP 94 Cb 0.56 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2k27 h ASP 94 CO -0.35 0.02 0.10 1.88 -1.72 0.00 0.00 179.24 179.17 2k27 h TYR 95 N 0.03 0.82 -0.33 4.55 0.05 -1.16 0.23 116.97 121.15 2k27 h TYR 95 Ca 0.01 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 2k27 h TYR 95 Cb -0.00 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 2k27 h TYR 95 CO -0.08 0.70 0.13 0.87 -1.05 0.00 0.00 178.16 178.73 2k27 h LYS 96 N 0.76 0.49 0.24 4.88 1.79 -0.99 -1.58 116.57 122.17 2k27 h LYS 96 Ca 0.17 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2k27 h LYS 96 Cb 0.31 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2k27 h LYS 96 CO 0.00 0.49 -0.13 0.00 -1.08 0.00 0.00 179.45 178.74 2k27 h ARG 97 N 0.39 -0.33 -0.50 3.15 3.08 -0.41 -2.84 114.38 116.91 2k27 h ARG 97 Ca 0.11 0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.06 2k27 h ARG 97 Cb 0.19 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2k27 h ARG 97 CO -0.01 -0.22 -0.18 -0.56 -1.07 0.00 0.00 179.97 177.93 2k27 h GLN 98 N -0.34 1.00 -3.99 0.04 3.07 -1.03 -3.38 115.11 110.48 2k27 h GLN 98 Ca -0.03 -0.41 -0.64 0.00 0.09 0.00 0.00 58.65 57.66 2k27 h GLN 98 Cb 0.27 -0.05 -0.40 0.00 0.08 0.00 0.00 27.48 27.38 2k27 h GLN 98 CO 0.05 1.08 -0.70 1.21 0.09 0.00 0.00 178.83 180.56 2k27 s ASN 99 N -6.70 4.44 0.24 0.06 3.84 -0.60 -5.00 114.94 111.22 2k27 s ASN 99 Ca -0.11 -2.42 0.05 0.00 0.21 0.00 0.00 52.86 50.59 2k27 s ASN 99 Cb 0.13 -1.49 0.27 0.00 -0.55 0.00 0.00 41.25 39.60 2k27 s ASN 99 CO 0.87 -0.33 1.57 1.55 -2.79 0.00 0.00 177.10 177.97 2k27 h PRO 100 N 7.23 0.20 -0.46 0.43 0.13 -1.70 -3.27 132.00 134.56 2k27 h PRO 100 Ca -0.06 -0.14 -0.12 0.00 -0.87 0.00 0.00 66.00 64.81 2k27 h PRO 100 Cb 0.97 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2k27 h PRO 100 CO 0.56 0.74 -0.18 1.79 -0.23 0.00 0.00 178.00 180.69 2k27 h THR 101 N 0.15 1.27 -3.09 1.56 1.35 -1.95 -3.44 112.91 108.76 2k27 h THR 101 Ca -0.01 -1.32 -0.53 0.00 -0.55 0.00 0.00 66.41 64.00 2k27 h THR 101 Cb 1.10 1.11 0.08 0.00 -1.73 0.00 0.00 68.15 68.71 2k27 h THR 101 CO 0.09 0.45 0.94 -0.04 -0.25 0.00 0.00 175.52 176.72 2k27 s MET 102 N -4.70 4.11 0.49 4.72 -1.94 -1.23 -5.01 119.30 115.74 2k27 s MET 102 Ca -0.10 2.61 0.05 0.00 -1.71 0.00 0.00 55.69 56.54 2k27 s MET 102 Cb 0.13 -3.03 0.03 0.00 2.01 0.00 0.00 34.83 33.96 2k27 s MET 102 CO 0.85 -0.69 0.67 -0.06 -0.01 0.00 0.00 175.02 175.78 2k27 s PHE 103 N 0.42 2.75 0.28 -0.03 0.08 -1.26 -4.85 117.98 115.37 2k27 s PHE 103 Ca 0.68 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 57.47 2k27 s PHE 103 Cb -0.49 -2.54 0.64 0.00 -0.57 0.00 0.00 43.02 40.06 2k27 s PHE 103 CO 0.43 -0.66 1.63 0.00 -0.10 0.00 0.00 175.22 176.52 2k27 h ALA 104 N 0.36 1.12 -0.01 5.36 0.00 -1.99 0.25 119.26 124.36 2k27 h ALA 104 Ca -0.40 0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 2k27 h ALA 104 Cb 1.29 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2k27 h ALA 104 CO 0.48 -0.47 -0.80 0.11 0.00 0.00 0.00 179.25 178.57 2k27 h TRP 105 N 0.16 0.26 -0.11 0.00 0.09 -1.98 -0.28 115.95 114.08 2k27 h TRP 105 Ca 0.52 -0.13 -0.01 0.00 0.09 0.00 0.00 58.89 59.36 2k27 h TRP 105 Cb 1.01 -0.03 -0.00 0.00 0.08 0.00 0.00 29.16 30.22 2k27 h TRP 105 CO -0.33 0.90 0.03 0.93 0.09 0.00 0.00 178.44 180.06 2k27 h GLU 106 N 0.11 0.17 -0.67 0.12 4.39 -1.38 -2.66 114.58 114.66 2k27 h GLU 106 Ca -0.03 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2k27 h GLU 106 Cb 1.39 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.99 2k27 h GLU 106 CO 0.12 0.32 0.20 0.82 -1.16 0.00 0.00 179.01 179.31 2k27 h ILE 107 N -0.02 1.25 -0.37 3.13 1.08 -1.12 0.67 117.51 122.14 2k27 h ILE 107 Ca 0.03 -0.88 0.08 0.00 -0.39 0.00 0.00 64.86 63.70 2k27 h ILE 107 Cb 0.22 0.56 -0.09 0.00 -3.07 0.00 0.00 36.82 34.45 2k27 h ILE 107 CO -0.00 0.34 -0.28 -0.09 -0.69 0.00 0.00 178.15 177.43 2k27 h ARG 108 N 0.97 -0.22 0.00 2.37 2.43 -0.99 -1.57 114.38 117.38 2k27 h ARG 108 Ca 0.21 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2k27 h ARG 108 Cb 0.31 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2k27 h ARG 108 CO -0.01 -0.15 -0.05 -0.44 -1.51 0.00 0.00 179.97 177.82 2k27 h ASP 109 N -0.23 0.00 -0.43 -3.80 3.32 -1.21 -3.04 116.42 111.04 2k27 h ASP 109 Ca 0.17 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.25 2k27 h ASP 109 Cb 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2k27 h ASP 109 CO -0.50 0.05 0.24 -0.09 -1.72 0.00 0.00 179.24 177.22 2k27 h ARG 110 N 0.00 0.47 -0.71 3.56 2.43 0.11 -0.70 114.38 119.54 2k27 h ARG 110 Ca -0.00 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2k27 h ARG 110 Cb 0.88 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.25 2k27 h ARG 110 CO 0.01 0.31 0.35 -0.07 -1.51 0.00 0.00 179.97 179.06 2k27 h LEU 111 N 0.48 0.46 -0.14 3.80 3.38 -1.30 -0.51 115.31 121.49 2k27 h LEU 111 Ca 0.18 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2k27 h LEU 111 Cb 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2k27 h LEU 111 CO -0.10 0.27 0.03 -0.07 0.09 0.00 0.00 178.44 178.66 2k27 h LEU 112 N 0.61 0.21 -0.43 1.67 3.38 -1.50 -0.06 115.31 119.18 2k27 h LEU 112 Ca 0.35 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2k27 h LEU 112 Cb 0.36 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2k27 h LEU 112 CO -0.27 0.39 0.23 0.00 0.09 0.00 0.00 178.44 178.89 2k27 h ALA 113 N 0.83 0.55 0.00 1.53 0.00 -0.71 -1.66 119.26 119.81 2k27 h ALA 113 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k27 h ALA 113 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k27 h ALA 113 CO 0.00 -0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.08 2k27 h GLU 114 N 0.47 0.00 -2.62 0.00 5.08 -1.07 -3.47 114.58 112.98 2k27 h GLU 114 Ca 0.18 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2k27 h GLU 114 Cb 0.06 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.35 2k27 h GLU 114 CO -0.11 0.00 -0.21 0.41 -1.00 0.00 0.00 179.01 178.10 2k27 n GLY 115 N 0.27 0.43 0.14 -3.84 0.00 -0.47 -4.98 105.19 96.74 2k27 n GLY 115 Ca 0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.78 1.12 -3.60 1.61 2.07 -1.30 -3.49 116.25 111.87 2k27 h VAL 116 Ca -0.18 -2.53 -0.05 0.00 0.82 0.00 0.00 66.70 64.76 2k27 h VAL 116 Cb 1.11 2.88 -0.09 0.00 -1.52 0.00 0.00 31.29 33.67 2k27 h VAL 116 CO 0.17 0.79 -0.10 0.00 0.02 0.00 0.00 177.57 178.45 2k27 s ASP 118 N -3.00 5.77 0.46 0.00 1.11 -1.26 -4.35 116.67 115.40 2k27 s ASP 118 Ca 0.20 0.98 0.22 0.00 0.18 0.00 0.00 52.55 54.13 2k27 s ASP 118 Cb -0.01 -1.98 1.21 0.00 1.07 0.00 0.00 42.92 43.21 2k27 s ASP 118 CO 0.07 -1.03 1.89 0.78 1.18 0.00 0.00 175.17 178.06 2k27 h ASN 119 N -0.26 0.26 0.02 0.27 4.21 -1.97 -1.56 115.58 116.54 2k27 h ASN 119 Ca -0.45 0.02 -0.39 0.00 1.21 0.00 0.00 56.30 56.69 2k27 h ASN 119 Cb 1.24 -0.02 -0.06 0.00 -1.12 0.00 0.00 38.32 38.36 2k27 h ASN 119 CO 0.62 0.11 -2.28 0.47 -1.29 0.00 0.00 177.43 175.05 2k27 n ASP 120 N -4.43 1.99 0.26 5.81 8.00 -1.26 -4.49 116.55 122.42 2k27 n ASP 120 Ca 0.17 0.12 0.12 0.00 0.71 0.00 0.00 54.79 55.92 2k27 n ASP 120 Cb 0.73 -0.67 0.68 0.00 -0.02 0.00 0.00 41.12 41.84 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 -0.39 0.54 -1.90 -3.53 1.35 -1.87 -3.44 112.91 103.68 2k27 h THR 121 Ca -0.56 -0.65 -0.65 0.00 -0.55 0.00 0.00 66.41 64.00 2k27 h THR 121 Cb 1.78 1.43 0.06 0.00 -1.73 0.00 0.00 68.15 69.69 2k27 h THR 121 CO -0.17 0.14 0.47 0.55 -0.25 0.00 0.00 175.52 176.25 2k27 n VAL 122 N -3.57 0.29 -1.32 6.82 3.14 -0.62 -4.89 118.33 118.19 2k27 n VAL 122 Ca -0.01 -0.07 -0.31 0.00 -2.96 0.00 0.00 64.34 60.98 2k27 n VAL 122 Cb 0.28 -0.97 0.09 0.00 -1.06 0.00 0.00 33.84 32.17 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 0.27 2.31 0.48 1.45 0.04 -1.26 -4.98 135.00 133.30 2k27 s PRO 123 Ca 0.80 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.81 2k27 s PRO 123 Cb -0.87 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 31.70 2k27 s PRO 123 CO 0.47 -1.61 1.30 -1.12 0.04 0.00 0.00 177.00 176.09 2k27 s SER 124 N -3.27 5.83 0.32 6.66 0.01 -1.26 -4.93 113.70 117.07 2k27 s SER 124 Ca 0.62 2.64 0.03 0.00 1.31 0.00 0.00 55.95 60.55 2k27 s SER 124 Cb -0.18 -2.63 0.62 0.00 0.21 0.00 0.00 66.02 64.04 2k27 s SER 124 CO 0.54 -1.17 1.92 0.58 0.41 0.00 0.00 173.24 175.52 2k27 h VAL 125 N 1.92 1.03 -0.85 3.43 2.07 -1.95 -1.73 116.25 120.17 2k27 h VAL 125 Ca -0.50 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2k27 h VAL 125 Cb 1.27 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2k27 h VAL 125 CO 0.60 0.17 0.49 0.28 0.02 0.00 0.00 177.57 179.12 2k27 h SER 126 N 0.91 1.04 0.20 0.57 0.02 -2.00 -3.11 113.55 111.18 2k27 h SER 126 Ca 0.37 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2k27 h SER 126 Cb 0.27 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2k27 h SER 126 CO -0.14 0.82 -0.10 0.77 -1.14 0.00 0.00 176.83 177.04 2k27 h SER 127 N 1.17 -0.23 -0.95 3.07 4.64 -1.69 -0.67 113.55 118.90 2k27 h SER 127 Ca 0.30 -0.29 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 2k27 h SER 127 Cb -0.01 0.06 -0.12 0.00 -0.31 0.00 0.00 62.40 62.03 2k27 h SER 127 CO -0.05 0.23 0.52 0.16 -0.87 0.00 0.00 176.83 176.82 2k27 h ILE 128 N -0.76 0.57 0.13 0.95 3.07 -1.61 -0.45 117.51 119.40 2k27 h ILE 128 Ca -0.03 -0.19 -0.01 0.00 1.55 0.00 0.00 64.86 66.18 2k27 h ILE 128 Cb 0.51 -0.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.02 2k27 h ILE 128 CO 0.05 0.10 -0.06 -1.13 -1.05 0.00 0.00 178.15 176.06 2k27 h ASN 129 N 0.56 -0.15 -0.92 2.16 -0.73 -1.46 -3.13 115.58 111.92 2k27 h ASN 129 Ca 0.59 -0.24 0.19 0.00 1.87 0.00 0.00 56.30 58.71 2k27 h ASN 129 Cb 1.05 0.04 -0.07 0.00 0.27 0.00 0.00 38.32 39.60 2k27 h ASN 129 CO -0.46 0.16 0.60 0.03 -0.37 0.00 0.00 177.43 177.39 2k27 h ARG 130 N -0.47 0.50 0.30 6.67 2.47 0.34 0.26 114.38 124.44 2k27 h ARG 130 Ca -0.02 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 2k27 h ARG 130 Cb 0.38 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 2k27 h ARG 130 CO 0.03 0.33 -0.19 0.82 0.56 0.00 0.00 179.97 181.52 2k27 h ILE 131 N 0.51 0.60 -0.14 2.04 1.08 -1.09 -3.08 117.51 117.43 2k27 h ILE 131 Ca 0.48 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.85 2k27 h ILE 131 Cb 1.05 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 2k27 h ILE 131 CO -0.21 0.00 -0.35 0.40 -0.69 0.00 0.00 178.15 177.30 2k27 h ILE 132 N -0.47 1.29 -0.70 -0.67 2.04 -1.18 -3.08 117.51 114.73 2k27 h ILE 132 Ca -0.03 -1.40 0.13 0.00 1.00 0.00 0.00 64.86 64.57 2k27 h ILE 132 Cb 0.39 1.57 -0.09 0.00 -0.74 0.00 0.00 36.82 37.95 2k27 h ILE 132 CO 0.02 0.42 0.24 0.03 0.00 0.00 0.00 178.15 178.87 2k27 h ARG 133 N 0.26 0.37 0.00 2.37 2.47 -0.91 0.29 114.38 119.22 2k27 h ARG 133 Ca 0.03 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2k27 h ARG 133 Cb 0.74 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2k27 h ARG 133 CO 0.06 0.24 0.00 1.79 0.56 0.00 0.00 179.97 182.62 2k27 h THR 134 N 0.38 0.00 0.00 2.04 1.35 -1.53 -3.35 112.91 111.79 2k27 h THR 134 Ca 0.38 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 2k27 h THR 134 Cb 0.57 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2k27 h THR 134 CO -0.41 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.15 2k27 n LYS 135 N -2.91 0.00 -3.12 4.72 4.01 -0.10 -5.05 118.16 115.72 2k27 n LYS 135 Ca -0.00 0.05 0.04 0.00 -0.51 0.00 0.00 58.31 57.89 2k27 n LYS 135 Cb 0.21 -0.33 -0.00 0.00 -0.51 0.00 0.00 35.03 34.40 2k27 n LYS 135 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2k27 s VAL 136 N -0.37 -0.65 -0.86 -0.18 0.11 -0.14 -5.08 120.40 113.24 2k27 s VAL 136 Ca 0.00 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 2k27 s VAL 136 Cb 0.00 -0.48 0.22 0.00 -1.53 0.00 0.00 36.38 34.58 2k27 s VAL 136 CO 0.00 0.00 0.82 -1.10 -3.33 0.00 0.00 175.10 171.49 2k27 s GLN 137 N 2.64 3.64 -0.58 1.54 -1.52 -1.25 -4.84 119.66 119.31 2k27 s GLN 137 Ca 0.18 -2.45 0.05 0.00 -1.95 0.00 0.00 55.36 51.18 2k27 s GLN 137 Cb -0.05 -4.48 0.19 0.00 -0.22 0.00 0.00 33.01 28.45 2k27 s GLN 137 CO -0.21 -1.33 0.49 1.04 -0.25 0.00 0.00 175.29 175.03 2k27 n GLN 138 N 4.11 1.33 -1.43 2.91 6.02 -1.26 -5.07 117.38 123.99 2k27 n GLN 138 Ca 0.15 -3.99 -0.30 0.00 -0.01 0.00 0.00 57.00 52.86 2k27 n GLN 138 Cb 0.47 -1.99 0.12 0.00 1.02 0.00 0.00 30.24 29.86 2k27 n GLN 138 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2k27 s PRO 139 N -1.14 1.59 0.78 -1.09 0.04 -1.26 -5.03 135.00 128.88 2k27 s PRO 139 Ca 0.31 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 2k27 s PRO 139 Cb 0.04 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.77 2k27 s PRO 139 CO -0.15 -1.96 1.10 -0.06 0.04 0.00 0.00 177.00 175.97 2k27 s PHE 140 N -3.11 2.50 0.03 0.56 0.08 -1.26 -5.08 117.98 111.70 2k27 s PHE 140 Ca 0.62 1.58 -0.18 0.00 0.12 0.00 0.00 56.93 59.07 2k27 s PHE 140 Cb -0.16 -3.08 0.04 0.00 -0.57 0.00 0.00 43.02 39.25 2k27 s PHE 140 CO 0.55 -1.88 0.41 1.21 -0.10 0.00 0.00 175.22 175.41 2k27 s ASN 141 N -3.29 -0.28 -0.55 1.36 2.47 -1.26 -5.13 114.94 108.26 2k27 s ASN 141 Ca 0.62 0.04 -0.09 0.00 0.42 0.00 0.00 52.86 53.84 2k27 s ASN 141 Cb -0.18 0.41 0.14 0.00 -1.45 0.00 0.00 41.25 40.18 2k27 s ASN 141 CO 0.56 -0.63 0.42 -0.22 -3.72 0.00 0.00 177.10 173.51 2k27 s LEU 142 N -1.88 5.80 1.00 3.21 2.96 -1.26 -5.10 118.68 123.41 2k27 s LEU 142 Ca -0.07 -2.16 -0.16 0.00 -0.22 0.00 0.00 54.13 51.52 2k27 s LEU 142 Cb -0.01 -2.02 0.21 0.00 0.50 0.00 0.00 46.19 44.86 2k27 s LEU 142 CO -0.01 -0.64 1.25 -2.16 -1.32 0.00 0.00 176.35 173.47 2k27 s PRO 143 N 0.99 0.36 -0.01 0.98 0.04 -1.26 -5.10 135.00 130.99 2k27 s PRO 143 Ca 0.09 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.90 2k27 s PRO 143 Cb -0.23 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2k27 s PRO 143 CO -0.02 -2.63 -0.01 1.41 0.04 0.00 0.00 177.00 175.79 2k27 s MET 144 N -5.71 0.15 0.13 4.56 1.75 -1.26 -5.17 119.30 113.76 2k27 s MET 144 Ca 0.71 0.01 -0.07 0.00 -1.25 0.00 0.00 55.69 55.09 2k27 s MET 144 Cb -0.07 -0.23 -0.01 0.00 2.84 0.00 0.00 34.83 37.36 2k27 s MET 144 CO 0.53 -0.03 0.21 0.34 -0.65 0.00 0.00 175.02 175.42 2k27 s ASP 145 N 0.36 0.13 0.13 1.11 2.15 -1.26 -5.19 116.67 114.10 2k27 s ASP 145 Ca -0.03 -0.87 -0.13 0.00 0.43 0.00 0.00 52.55 51.95 2k27 s ASP 145 Cb -0.05 0.37 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 2k27 s ASP 145 CO -0.01 -0.81 0.35 -0.44 -0.17 0.00 0.00 175.17 174.09 2k27 s SER 146 N -2.95 -0.11 0.00 -0.34 0.01 -1.26 -5.18 113.70 103.88 2k27 s SER 146 Ca 0.14 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2k27 s SER 146 Cb 0.05 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2k27 s SER 146 CO -0.03 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.37 2k27 n GLY 147 N -0.20 1.40 3.35 3.44 0.00 -1.26 -5.19 105.19 106.74 2k27 n GLY 147 Ca -0.14 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 2k27 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k27 s ALA 148 N -1.00 -1.17 0.85 4.61 0.00 -1.26 -5.18 121.76 118.61 2k27 s ALA 148 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 2k27 s ALA 148 Cb 0.00 0.10 0.10 0.00 0.00 0.00 0.00 23.12 23.32 2k27 s ALA 148 CO 0.00 -0.34 1.09 -1.25 0.00 0.00 0.00 175.76 175.27 2k27 s PRO 149 N -1.49 1.66 0.00 0.00 0.04 -1.26 -5.08 135.00 128.87 2k27 s PRO 149 Ca -0.11 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2k27 s PRO 149 Cb -0.03 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2k27 s PRO 149 CO 0.05 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.56 2k27 n GLY 150 N -1.59 0.28 3.22 0.56 0.00 -1.26 -5.15 105.19 101.25 2k27 n GLY 150 Ca 0.07 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.28 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 5.00 0.57 3.80 -0.02 0.00 -1.26 -5.20 105.19 108.07 2k27 n GLY 151 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.34 -0.23 0.16 -0.02 0.00 -1.26 -5.20 107.32 97.43 2k27 s GLY 152 Ca 0.21 0.29 -0.23 0.00 0.00 0.00 0.00 44.72 44.99 2k27 s GLY 152 CO 0.03 2.46 0.67 -0.45 0.00 0.00 0.00 173.10 175.81 2k27 s SER 153 N -3.34 -0.47 0.35 1.64 0.15 -1.26 -5.09 113.70 105.68 2k27 s SER 153 Ca 0.21 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2k27 s SER 153 Cb 0.02 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2k27 s SER 153 CO -0.01 -0.99 0.00 1.57 1.20 0.00 0.00 173.24 175.00 2k27 n HIS 154 N -0.38 -3.59 -3.10 3.44 -0.00 -1.26 -5.09 115.22 105.24 2k27 n HIS 154 Ca -0.13 1.02 -0.08 0.00 -0.00 0.00 0.00 57.72 58.53 2k27 n HIS 154 Cb 0.63 2.43 0.01 0.00 -0.00 0.00 0.00 29.99 33.06 2k27 n HIS 154 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k27 n HIS 155 N -3.33 -3.04 -1.86 1.57 8.25 -1.26 -4.96 115.22 110.59 2k27 n HIS 155 Ca 0.00 1.20 -0.36 0.00 -0.26 0.00 0.00 57.72 58.30 2k27 n HIS 155 Cb 0.00 -3.80 0.05 0.00 1.12 0.00 0.00 29.99 27.36 2k27 n HIS 155 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k27 s HIS 156 N -2.75 2.27 0.27 4.41 2.46 -1.26 -5.05 115.29 115.64 2k27 s HIS 156 Ca 0.11 1.52 0.03 0.00 0.47 0.00 0.00 55.06 57.19 2k27 s HIS 156 Cb -0.03 -3.52 -0.06 0.00 -0.13 0.00 0.00 32.58 28.85 2k27 s HIS 156 CO 0.78 -2.43 0.06 -1.01 -2.47 0.00 0.00 174.74 169.67 2k27 s HIS 157 N -1.63 1.67 0.22 3.88 3.76 -1.26 -5.18 115.29 116.76 2k27 s HIS 157 Ca 0.78 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 2k27 s HIS 157 Cb -0.32 -1.02 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 2k27 s HIS 157 CO 0.37 -0.15 0.13 -1.01 -0.85 0.00 0.00 174.74 173.22 2k27 s HIS 158 N -3.53 1.31 -2.00 1.40 3.76 -1.26 -5.33 115.29 109.64 2k27 s HIS 158 Ca 0.35 -1.33 0.18 0.00 -0.15 0.00 0.00 55.06 54.11 2k27 s HIS 158 Cb 0.08 -0.68 1.10 0.00 1.11 0.00 0.00 32.58 34.18 2k27 s HIS 158 CO 0.13 -0.55 1.49 -2.39 -0.85 0.00 0.00 174.74 172.57