#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9h h SER 2 N 0.00 0.45 -3.48 1.61 0.87 -2.15 -3.44 113.55 107.41 2d9h h SER 2 Ca 0.00 -0.85 -0.53 0.00 -1.23 0.00 0.00 61.79 59.17 2d9h h SER 2 Cb 0.00 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 2d9h h SER 2 CO 0.00 1.26 0.23 -0.55 -0.53 0.00 0.00 176.83 177.24 2d9h s SER 3 N -6.78 7.32 0.00 6.23 0.15 -1.26 -4.98 113.70 114.39 2d9h s SER 3 Ca -0.14 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.09 2d9h s SER 3 Cb 0.02 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2d9h s SER 3 CO 0.81 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.87 2d9h n GLY 4 N 2.27 -1.88 3.10 9.45 0.00 -1.26 -5.17 105.19 111.70 2d9h n GLY 4 Ca -0.01 1.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.88 2d9h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9h s SER 5 N 0.00 -0.25 -0.14 1.61 0.01 -1.26 -5.15 113.70 108.53 2d9h s SER 5 Ca 0.00 0.49 -0.04 0.00 1.31 0.00 0.00 55.95 57.70 2d9h s SER 5 Cb 0.00 0.46 0.07 0.00 0.21 0.00 0.00 66.02 66.76 2d9h s SER 5 CO 0.00 -0.11 0.25 -0.94 0.41 0.00 0.00 173.24 172.85 2d9h s SER 6 N 0.45 0.55 -0.23 2.44 1.04 -1.26 -5.15 113.70 111.55 2d9h s SER 6 Ca -0.03 0.43 -0.34 0.00 0.48 0.00 0.00 55.95 56.49 2d9h s SER 6 Cb -0.04 0.61 0.15 0.00 0.10 0.00 0.00 66.02 66.84 2d9h s SER 6 CO -0.02 -0.26 1.26 -0.83 0.98 0.00 0.00 173.24 174.38 2d9h s GLY 7 N 2.39 -0.18 0.44 7.32 0.00 -1.26 -4.97 107.32 111.06 2d9h s GLY 7 Ca 0.03 1.98 -0.23 0.00 0.00 0.00 0.00 44.72 46.50 2d9h s GLY 7 CO -0.09 0.72 1.14 1.08 0.00 0.00 0.00 173.10 175.96 2d9h s LEU 8 N -1.80 4.06 -0.05 0.66 1.43 -0.83 -4.88 118.68 117.28 2d9h s LEU 8 Ca 0.09 2.26 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 2d9h s LEU 8 Cb -0.01 -4.20 0.02 0.00 0.03 0.00 0.00 46.19 42.02 2d9h s LEU 8 CO -0.04 -0.80 -0.07 -1.58 0.23 0.00 0.00 176.35 174.08 2d9h s GLN 9 N -2.61 1.05 0.50 1.70 0.74 -1.26 -1.14 119.66 118.64 2d9h s GLN 9 Ca 0.62 -0.21 -0.18 0.00 0.05 0.00 0.00 55.36 55.64 2d9h s GLN 9 Cb -0.28 -0.97 -0.08 0.00 1.10 0.00 0.00 33.01 32.78 2d9h s GLN 9 CO 0.34 -0.03 1.00 0.00 -0.55 0.00 0.00 175.29 176.05 2d9h n GLU 11 N -1.28 0.72 -0.03 0.00 0.28 -1.26 -2.94 120.64 116.14 2d9h n GLU 11 Ca 0.07 0.07 -0.13 0.00 -0.16 0.00 0.00 57.16 57.01 2d9h n GLU 11 Cb 0.54 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.82 2d9h n GLU 11 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2d9h h ILE 12 N 0.00 0.00 0.00 3.84 5.03 -1.99 -3.35 117.51 121.04 2d9h h ILE 12 Ca -0.54 0.00 -0.24 0.00 -0.12 0.00 0.00 64.86 63.95 2d9h h ILE 12 Cb 2.04 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.79 2d9h h ILE 12 CO -0.03 0.00 -1.92 0.00 -0.68 0.00 0.00 178.15 175.52 2d9h n GLY 14 N 2.66 1.12 3.98 0.00 0.00 -1.15 -5.08 105.19 106.72 2d9h n GLY 14 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 2d9h n GLY 14 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2d9h s PHE 15 N -2.00 1.65 -0.08 1.61 5.36 -1.24 -4.75 117.98 118.53 2d9h s PHE 15 Ca 0.00 -0.15 -0.05 0.00 -0.96 0.00 0.00 56.93 55.77 2d9h s PHE 15 Cb 0.00 -3.17 0.04 0.00 -0.34 0.00 0.00 43.02 39.54 2d9h s PHE 15 CO 0.00 -1.83 0.20 0.95 -1.46 0.00 0.00 175.22 173.08 2d9h s THR 16 N -3.26 -0.03 0.01 0.12 -4.23 -1.26 0.47 115.64 107.47 2d9h s THR 16 Ca 0.67 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 2d9h s THR 16 Cb -0.05 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.47 2d9h s THR 16 CO 0.46 0.05 -0.03 0.00 -0.54 0.00 0.00 174.62 174.56 2d9h h ARG 18 N 5.29 -0.26 -6.62 0.00 2.47 -1.93 -2.19 114.38 111.13 2d9h h ARG 18 Ca -0.29 0.02 -0.52 0.00 -1.26 0.00 0.00 59.98 57.92 2d9h h ARG 18 Cb 1.21 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.60 2d9h h ARG 18 CO 0.45 -0.05 0.54 -0.65 0.56 0.00 0.00 179.97 180.82 2d9h s GLN 19 N -2.69 4.50 0.06 0.04 -1.52 -1.26 -4.63 119.66 114.17 2d9h s GLN 19 Ca -0.07 1.81 -0.29 0.00 -1.95 0.00 0.00 55.36 54.86 2d9h s GLN 19 Cb 0.00 -3.28 -0.17 0.00 -0.22 0.00 0.00 33.01 29.34 2d9h s GLN 19 CO 0.23 -0.09 1.57 -0.22 -0.25 0.00 0.00 175.29 176.53 2d9h h LYS 20 N 5.61 -0.56 -0.69 2.91 3.64 -2.01 -2.96 116.57 122.50 2d9h h LYS 20 Ca -0.44 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.11 2d9h h LYS 20 Cb 1.21 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 33.03 2d9h h LYS 20 CO 0.76 -0.33 -0.28 0.00 -2.27 0.00 0.00 179.45 177.32 2d9h h ALA 21 N -0.11 0.18 -0.78 5.00 0.00 -2.00 0.19 119.26 121.75 2d9h h ALA 21 Ca -0.06 0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.24 2d9h h ALA 21 Cb 0.48 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 2d9h h ALA 21 CO 0.10 -0.57 0.28 0.77 0.00 0.00 0.00 179.25 179.83 2d9h h SER 22 N -0.08 0.20 -0.45 0.00 0.02 -1.95 -0.23 113.55 111.06 2d9h h SER 22 Ca 0.29 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.40 2d9h h SER 22 Cb 0.56 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 2d9h h SER 22 CO -0.75 0.03 0.24 0.25 -1.14 0.00 0.00 176.83 175.47 2d9h h LEU 23 N 0.38 0.37 0.01 5.07 5.85 -0.48 -2.57 115.31 123.93 2d9h h LEU 23 Ca 0.45 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.21 2d9h h LEU 23 Cb 0.75 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2d9h h LEU 23 CO -0.47 0.26 -0.25 0.78 -0.34 0.00 0.00 178.44 178.43 2d9h h ASN 24 N 0.48 -0.72 -0.54 1.25 2.35 -0.44 -0.01 115.58 117.95 2d9h h ASN 24 Ca 0.19 0.10 0.16 0.00 -0.55 0.00 0.00 56.30 56.19 2d9h h ASN 24 Cb 0.06 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2d9h h ASN 24 CO -0.11 -0.32 0.45 -0.25 -1.65 0.00 0.00 177.43 175.55 2d9h h TRP 25 N -0.39 0.00 0.00 1.19 2.91 -1.18 0.78 115.95 119.27 2d9h h TRP 25 Ca 0.06 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2d9h h TRP 25 Cb 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2d9h h TRP 25 CO -0.28 0.00 -0.41 1.25 -1.03 0.00 0.00 178.44 177.97 2d9h h HIS 26 N 0.00 0.00 0.10 2.65 2.76 -0.67 -3.34 115.15 116.65 2d9h h HIS 26 Ca 0.26 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 58.06 2d9h h HIS 26 Cb 1.16 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.09 2d9h h HIS 26 CO 0.00 0.00 -2.07 1.04 -1.30 0.00 0.00 177.93 175.60 2d9h n GLN 27 N -2.25 0.74 -0.28 5.26 6.02 0.25 -3.93 117.38 123.19 2d9h n GLN 27 Ca 0.04 0.25 0.21 0.00 -0.01 0.00 0.00 57.00 57.49 2d9h n GLN 27 Cb 0.45 -1.68 0.52 0.00 1.02 0.00 0.00 30.24 30.55 2d9h n GLN 27 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2d9h h ARG 28 N 0.05 0.38 -0.13 -1.09 0.11 -0.93 0.22 114.38 112.99 2d9h h ARG 28 Ca -0.45 -0.02 -0.19 0.00 0.10 0.00 0.00 59.98 59.42 2d9h h ARG 28 Cb 2.01 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 33.00 2d9h h ARG 28 CO 0.06 0.25 -0.69 1.57 0.10 0.00 0.00 179.97 181.26 2d9h h LYS 29 N 0.39 0.54 -0.82 0.08 2.10 -1.72 -3.19 116.57 113.94 2d9h h LYS 29 Ca 0.52 -0.42 0.07 0.00 -2.00 0.00 0.00 60.65 58.83 2d9h h LYS 29 Cb 1.34 0.08 -0.07 0.00 -0.90 0.00 0.00 32.23 32.68 2d9h h LYS 29 CO -0.21 1.04 0.49 0.45 -2.00 0.00 0.00 179.45 179.22 2d9h h HIS 30 N 0.39 0.90 -1.18 0.07 3.86 -0.69 -0.84 115.15 117.65 2d9h h HIS 30 Ca -0.02 0.03 0.34 0.00 -1.16 0.00 0.00 60.37 59.55 2d9h h HIS 30 Cb 1.27 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.41 2d9h h HIS 30 CO 0.05 0.42 0.90 0.00 0.86 0.00 0.00 177.93 180.16 2d9h h ALA 31 N 1.42 3.09 0.19 2.45 0.00 -1.46 0.31 119.26 125.25 2d9h h ALA 31 Ca 0.37 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.92 2d9h h ALA 31 Cb 0.25 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.14 2d9h h ALA 31 CO -0.20 -1.51 -1.57 0.93 0.00 0.00 0.00 179.25 176.90 2d9h h GLU 32 N 0.00 0.41 -0.52 0.00 4.39 -1.32 -3.32 114.58 114.22 2d9h h GLU 32 Ca 0.56 -0.69 0.14 0.00 0.34 0.00 0.00 59.36 59.71 2d9h h GLU 32 Cb 2.35 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 31.24 2d9h h GLU 32 CO -0.01 1.33 0.37 1.15 -1.16 0.00 0.00 179.01 180.70 2d9h h THR 33 N 0.02 0.77 -1.29 1.13 2.02 -0.23 -2.47 112.91 112.86 2d9h h THR 33 Ca -0.30 -0.02 0.39 0.00 0.77 0.00 0.00 66.41 67.25 2d9h h THR 33 Cb 2.03 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 69.07 2d9h h THR 33 CO 0.18 0.01 0.90 1.33 0.37 0.00 0.00 175.52 178.32 2d9h n VAL 34 N -4.40 -0.06 -0.34 3.16 0.24 -0.83 -0.13 118.33 115.96 2d9h n VAL 34 Ca 0.09 1.15 -0.01 0.00 -2.04 0.00 0.00 64.34 63.54 2d9h n VAL 34 Cb 0.55 -1.91 0.05 0.00 -1.47 0.00 0.00 33.84 31.06 2d9h n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d9h h ALA 35 N 0.86 0.21 0.00 2.33 0.00 -1.72 -2.16 119.26 118.78 2d9h h ALA 35 Ca 0.67 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.85 2d9h h ALA 35 Cb 2.51 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 21.21 2d9h h ALA 35 CO -0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 179.25 178.52 2d9h h ALA 36 N 1.41 -0.55 -2.23 0.00 0.00 -0.82 -3.41 119.26 113.66 2d9h h ALA 36 Ca 0.34 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.66 2d9h h ALA 36 Cb 0.60 0.49 0.07 0.00 0.00 0.00 0.00 17.79 18.95 2d9h h ALA 36 CO -0.93 -0.56 0.68 1.28 0.00 0.00 0.00 179.25 179.73 2d9h n LEU 37 N -2.62 2.93 -0.02 0.00 7.99 -0.81 -4.63 117.00 119.84 2d9h n LEU 37 Ca -0.00 1.11 -0.02 0.00 -0.01 0.00 0.00 56.01 57.09 2d9h n LEU 37 Cb 0.02 -1.40 -0.02 0.00 -0.11 0.00 0.00 43.42 41.91 2d9h n LEU 37 CO 0.01 -0.46 -0.60 0.54 -1.51 0.00 0.00 177.39 175.37 2d9h n ARG 38 N 2.77 2.97 -3.27 3.23 3.00 -0.32 -4.80 116.66 120.23 2d9h n ARG 38 Ca 0.15 0.00 -0.45 0.00 -0.01 0.00 0.00 57.85 57.54 2d9h n ARG 38 Cb 0.29 -1.08 -0.06 0.00 0.00 0.00 0.00 32.46 31.62 2d9h n ARG 38 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2d9h s PHE 39 N -2.07 3.17 1.08 -1.55 0.40 -0.72 -4.93 117.98 113.35 2d9h s PHE 39 Ca -0.02 -1.03 -0.15 0.00 -0.60 0.00 0.00 56.93 55.13 2d9h s PHE 39 Cb 0.01 -3.65 0.23 0.00 0.51 0.00 0.00 43.02 40.11 2d9h s PHE 39 CO 0.12 -1.03 1.10 -1.25 0.70 0.00 0.00 175.22 174.86 2d9h s PRO 40 N 1.99 -0.23 -0.40 0.24 0.04 -1.26 -1.09 135.00 134.28 2d9h s PRO 40 Ca 0.07 0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.30 2d9h s PRO 40 Cb -0.26 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.66 2d9h s PRO 40 CO 0.06 -3.13 0.24 0.00 0.04 0.00 0.00 177.00 174.21 2d9h n GLU 42 N 4.96 0.40 -0.10 0.00 0.28 -1.26 0.65 120.64 125.56 2d9h n GLU 42 Ca -0.11 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.70 2d9h n GLU 42 Cb 0.44 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.73 2d9h n GLU 42 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2d9h n PHE 43 N -1.00 0.70 -0.01 -1.84 3.72 -1.26 -4.82 117.46 112.94 2d9h n PHE 43 Ca 0.10 0.30 -0.02 0.00 -0.05 0.00 0.00 57.45 57.78 2d9h n PHE 43 Cb 0.04 -0.96 -0.01 0.00 -0.94 0.00 0.00 39.48 37.61 2d9h n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d9h n GLY 45 N 3.25 0.97 2.06 0.00 0.00 0.21 -5.01 105.19 106.67 2d9h n GLY 45 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2d9h n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d9h n LYS 46 N 0.00 -1.64 -3.77 1.61 5.02 -1.26 -3.93 118.16 114.19 2d9h n LYS 46 Ca 0.00 -0.61 -0.13 0.00 -2.02 0.00 0.00 58.31 55.55 2d9h n LYS 46 Cb 0.00 -1.06 -0.09 0.00 -0.02 0.00 0.00 35.03 33.86 2d9h n LYS 46 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2d9h s ARG 47 N -3.22 0.63 0.04 1.97 0.52 -1.26 0.20 118.95 117.83 2d9h s ARG 47 Ca 0.28 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 2d9h s ARG 47 Cb -0.05 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.67 2d9h s ARG 47 CO 0.23 -0.17 -0.05 -0.06 0.02 0.00 0.00 175.30 175.28 2d9h s PHE 48 N -1.24 0.50 0.56 -0.53 0.40 -0.25 -4.87 117.98 112.55 2d9h s PHE 48 Ca -0.13 -0.66 0.28 0.00 -0.60 0.00 0.00 56.93 55.82 2d9h s PHE 48 Cb -0.05 -0.33 1.72 0.00 0.51 0.00 0.00 43.02 44.87 2d9h s PHE 48 CO 0.04 -0.19 2.22 1.05 0.70 0.00 0.00 175.22 179.04 2d9h h GLU 49 N 4.14 0.00 -3.92 0.44 4.11 -1.87 -0.63 114.58 116.85 2d9h h GLU 49 Ca -0.34 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.99 2d9h h GLU 49 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2d9h h GLU 49 CO 0.48 0.02 -0.37 -1.59 0.07 0.00 0.00 179.01 177.62 2d9h s LYS 50 N -4.61 1.05 0.09 1.06 -2.85 -1.26 -4.43 119.74 108.79 2d9h s LYS 50 Ca -0.05 -1.14 -0.16 0.00 -1.00 0.00 0.00 55.97 53.62 2d9h s LYS 50 Cb 0.15 0.35 -0.10 0.00 -2.06 0.00 0.00 37.83 36.18 2d9h s LYS 50 CO 0.56 -0.36 1.40 -1.00 0.10 0.00 0.00 175.35 176.06 2d9h h PRO 51 N 2.63 0.62 -1.18 1.78 0.13 -1.91 -3.08 132.00 130.99 2d9h h PRO 51 Ca -0.33 -0.32 0.38 0.00 -0.87 0.00 0.00 66.00 64.86 2d9h h PRO 51 Cb 1.22 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 2d9h h PRO 51 CO 0.52 0.92 0.74 0.22 -0.23 0.00 0.00 178.00 180.17 2d9h h ASP 52 N 0.34 0.34 0.99 1.44 3.58 -1.99 1.35 116.42 122.46 2d9h h ASP 52 Ca 0.04 0.15 -0.21 0.00 0.42 0.00 0.00 57.03 57.44 2d9h h ASP 52 Cb 0.81 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 2d9h h ASP 52 CO 0.06 -0.15 -1.04 0.28 -2.88 0.00 0.00 179.24 175.51 2d9h h SER 53 N 0.17 0.00 0.06 2.28 0.02 -1.97 -3.12 113.55 110.99 2d9h h SER 53 Ca 0.77 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.57 2d9h h SER 53 Cb 2.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.73 2d9h h SER 53 CO -0.47 0.92 -0.51 0.58 -1.14 0.00 0.00 176.83 176.21 2d9h h VAL 54 N 0.00 1.32 -0.22 2.27 2.07 0.17 -1.46 116.25 120.40 2d9h h VAL 54 Ca -0.05 -1.75 -0.18 0.00 0.82 0.00 0.00 66.70 65.54 2d9h h VAL 54 Cb 1.75 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2d9h h VAL 54 CO 0.11 0.54 -0.59 0.00 0.02 0.00 0.00 177.57 177.66 2d9h h ALA 55 N 1.04 0.55 -0.21 1.67 0.00 -0.83 -3.09 119.26 118.38 2d9h h ALA 55 Ca 0.01 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 2d9h h ALA 55 Cb 1.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2d9h h ALA 55 CO 0.09 0.69 -0.60 0.00 0.00 0.00 0.00 179.25 179.43 2d9h h ALA 56 N 0.80 0.54 -0.56 0.00 0.00 -1.50 -3.08 119.26 115.46 2d9h h ALA 56 Ca 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.43 2d9h h ALA 56 Cb 1.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2d9h h ALA 56 CO 0.12 0.69 0.37 1.25 0.00 0.00 0.00 179.25 181.68 2d9h h HIS 57 N 0.53 0.55 0.00 0.00 -0.00 -1.26 0.97 115.15 115.94 2d9h h HIS 57 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2d9h h HIS 57 Cb 1.19 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 2d9h h HIS 57 CO 0.06 0.31 0.00 0.00 -0.00 0.00 0.00 177.93 178.30 2d9h h ARG 58 N 0.56 0.00 0.00 5.26 3.08 -1.45 0.96 114.38 122.78 2d9h h ARG 58 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2d9h h ARG 58 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2d9h h ARG 58 CO -0.07 0.00 -0.77 0.45 -1.07 0.00 0.00 179.97 178.51 2d9h n SER 59 N -2.91 0.64 -0.00 7.04 2.88 0.22 -1.27 113.62 120.22 2d9h n SER 59 Ca 0.03 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 2d9h n SER 59 Cb 0.41 0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 64.42 2d9h n SER 59 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2d9h n LYS 60 N -1.69 1.24 -0.04 -1.46 5.02 -0.51 -4.27 118.16 116.45 2d9h n LYS 60 Ca 0.04 -0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 2d9h n LYS 60 Cb 0.37 -1.05 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 2d9h n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2d9h n SER 61 N -1.74 3.12 -0.70 4.39 2.88 0.33 -4.64 113.62 117.26 2d9h n SER 61 Ca -0.01 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.56 2d9h n SER 61 Cb 0.22 0.69 0.20 0.00 -0.75 0.00 0.00 64.21 64.58 2d9h n SER 61 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2d9h n HIS 62 N -2.28 0.29 0.58 0.66 8.25 -0.74 -4.71 115.22 117.28 2d9h n HIS 62 Ca -0.12 -1.47 0.07 0.00 -0.26 0.00 0.00 57.72 55.94 2d9h n HIS 62 Cb 0.74 -0.30 0.33 0.00 1.12 0.00 0.00 29.99 31.88 2d9h n HIS 62 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2d9h n PRO 63 N -1.14 0.09 0.02 -0.41 -0.04 -0.40 -2.00 135.00 131.13 2d9h n PRO 63 Ca 0.22 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 2d9h n PRO 63 Cb 0.78 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.76 2d9h n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9h n ALA 64 N -1.41 3.48 -0.09 0.55 0.00 -1.26 -4.20 120.51 117.58 2d9h n ALA 64 Ca 0.05 -0.42 -0.23 0.00 0.00 0.00 0.00 53.44 52.84 2d9h n ALA 64 Cb 0.14 -0.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 2d9h n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d9h n LEU 65 N -1.92 2.14 -0.27 0.00 4.77 -0.85 -4.35 117.00 116.52 2d9h n LEU 65 Ca 0.02 0.31 0.08 0.00 -0.03 0.00 0.00 56.01 56.39 2d9h n LEU 65 Cb 0.43 -0.96 0.22 0.00 -2.33 0.00 0.00 43.42 40.78 2d9h n LEU 65 CO 0.40 0.53 0.91 -0.07 -1.33 0.00 0.00 177.39 177.83 2d9h h LEU 66 N -0.69 -0.08-10.16 2.23 3.38 -1.72 -3.41 115.31 104.86 2d9h h LEU 66 Ca -0.47 0.18 -0.53 0.00 0.09 0.00 0.00 57.88 57.15 2d9h h LEU 66 Cb 1.58 0.26 0.13 0.00 0.09 0.00 0.00 40.66 42.72 2d9h h LEU 66 CO -0.19 -0.12 0.41 -0.76 0.09 0.00 0.00 178.44 177.87 2d9h s LEU 67 N -10.67 3.43 0.71 1.67 1.02 -1.26 -5.00 118.68 108.58 2d9h s LEU 67 Ca -0.13 2.28 -0.11 0.00 0.02 0.00 0.00 54.13 56.20 2d9h s LEU 67 Cb 0.23 -4.58 0.01 0.00 0.02 0.00 0.00 46.19 41.87 2d9h s LEU 67 CO 0.76 -1.92 1.06 0.00 0.02 0.00 0.00 176.35 176.27 2d9h s ALA 68 N -1.95 2.63 1.08 4.21 0.00 -1.26 -5.01 121.76 121.47 2d9h s ALA 68 Ca 0.73 0.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 2d9h s ALA 68 Cb -0.27 -3.18 0.23 0.00 0.00 0.00 0.00 23.12 19.90 2d9h s ALA 68 CO 0.41 -1.28 1.10 -1.25 0.00 0.00 0.00 175.76 174.74 2d9h s PRO 69 N -5.04 -0.27 0.34 0.00 0.04 -1.26 -5.06 135.00 123.75 2d9h s PRO 69 Ca 0.58 0.27 0.04 0.00 0.04 0.00 0.00 61.00 61.93 2d9h s PRO 69 Cb -0.14 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2d9h s PRO 69 CO 0.55 -3.15 0.50 1.14 0.04 0.00 0.00 177.00 176.09 2d9h s GLN 70 N -5.13 3.24 -0.52 4.56 -2.07 -1.26 -5.04 119.66 113.44 2d9h s GLN 70 Ca 0.68 -0.72 -0.28 0.00 -1.82 0.00 0.00 55.36 53.21 2d9h s GLN 70 Cb -0.15 -2.75 0.02 0.00 -1.09 0.00 0.00 33.01 29.03 2d9h s GLN 70 CO 0.57 0.08 1.35 -1.21 -1.32 0.00 0.00 175.29 174.77 2d9h s GLU 71 N -4.24 3.43 0.32 9.60 2.02 -1.26 -4.95 118.70 123.63 2d9h s GLU 71 Ca 0.42 0.54 -0.12 0.00 0.02 0.00 0.00 54.97 55.83 2d9h s GLU 71 Cb -0.10 -4.07 0.02 0.00 0.10 0.00 0.00 34.13 30.09 2d9h s GLU 71 CO 0.33 -1.77 0.61 -1.54 0.02 0.00 0.00 175.26 172.91 2d9h s SER 72 N 3.92 0.21 0.58 -0.19 1.04 -1.26 -5.15 113.70 112.85 2d9h s SER 72 Ca 0.52 -1.12 -0.19 0.00 0.48 0.00 0.00 55.95 55.64 2d9h s SER 72 Cb -0.10 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 2d9h s SER 72 CO 0.27 -1.39 1.22 -0.55 0.98 0.00 0.00 173.24 173.77 2d9h s SER 73 N -3.09 5.23 0.00 7.02 0.15 -1.26 -4.89 113.70 116.87 2d9h s SER 73 Ca 0.21 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.27 2d9h s SER 73 Cb -0.03 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2d9h s SER 73 CO 0.13 -1.57 0.00 0.61 1.20 0.00 0.00 173.24 173.61 2d9h n GLY 74 N 0.53 2.06 0.00 9.45 0.00 -1.26 -5.08 105.19 110.88 2d9h n GLY 74 Ca 0.13 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2d9h n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d9h n PRO 75 N 0.24 -0.13 0.07 1.61 -0.04 -1.26 -4.99 135.00 130.50 2d9h n PRO 75 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2d9h n PRO 75 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 2d9h n PRO 75 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2d9h h SER 76 N -0.57 0.58 0.00 3.54 0.87 -1.98 -3.39 113.55 112.59 2d9h h SER 76 Ca 0.00 -0.92 -0.03 0.00 -1.23 0.00 0.00 61.79 59.61 2d9h h SER 76 Cb 0.00 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2d9h h SER 76 CO 0.00 1.45 -0.37 0.77 -0.53 0.00 0.00 176.83 178.14 2d9h h SER 77 N -0.20 0.00 0.00 6.23 4.64 -2.03 -3.49 113.55 118.70 2d9h h SER 77 Ca -0.16 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2d9h h SER 77 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 2d9h h SER 77 CO 0.18 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.55