#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9h s SER 2 N 0.00 1.66 -0.03 1.61 0.15 -1.26 -5.14 113.70 110.69 2d9h s SER 2 Ca 0.00 -0.58 -0.17 0.00 0.70 0.00 0.00 55.95 55.90 2d9h s SER 2 Cb 0.00 -0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.20 2d9h s SER 2 CO 0.00 -0.06 0.46 -0.94 1.20 0.00 0.00 173.24 173.90 2d9h s SER 3 N -1.62 6.81 0.00 5.45 1.04 -1.26 -4.96 113.70 119.16 2d9h s SER 3 Ca -0.01 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2d9h s SER 3 Cb -0.10 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2d9h s SER 3 CO 0.02 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.06 2d9h n GLY 4 N 2.30 2.83 3.93 7.32 0.00 -1.26 -5.09 105.19 115.21 2d9h n GLY 4 Ca -0.11 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 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 5.50 0.29 1.61 0.01 -1.26 -5.10 113.70 114.76 2d9h s SER 5 Ca 0.00 0.57 0.03 0.00 1.31 0.00 0.00 55.95 57.86 2d9h s SER 5 Cb 0.00 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.65 2d9h s SER 5 CO 0.00 -1.09 0.45 -0.55 0.41 0.00 0.00 173.24 172.46 2d9h s SER 6 N -4.33 6.28 0.00 2.44 0.15 -1.26 -5.03 113.70 111.96 2d9h s SER 6 Ca 0.54 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2d9h s SER 6 Cb -0.10 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2d9h s SER 6 CO 0.44 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2d9h n GLY 7 N -1.59 2.77 3.74 9.45 0.00 -1.26 -5.03 105.19 113.27 2d9h n GLY 7 Ca -0.07 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 2d9h n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9h s LEU 8 N 0.00 2.39 -0.20 0.99 1.43 0.21 -4.83 118.68 118.67 2d9h s LEU 8 Ca 0.00 1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 54.52 2d9h s LEU 8 Cb 0.00 -3.95 0.09 0.00 0.03 0.00 0.00 46.19 42.36 2d9h s LEU 8 CO 0.00 -2.44 0.22 -1.58 0.23 0.00 0.00 176.35 172.78 2d9h s GLN 9 N -4.99 0.19 0.60 1.70 2.00 -1.26 -2.17 119.66 115.73 2d9h s GLN 9 Ca 0.63 0.21 -0.19 0.00 -2.00 0.00 0.00 55.36 54.01 2d9h s GLN 9 Cb -0.17 -1.19 -0.03 0.00 0.80 0.00 0.00 33.01 32.41 2d9h s GLN 9 CO 0.56 -0.65 1.21 0.00 -0.50 0.00 0.00 175.29 175.92 2d9h n GLU 11 N -1.61 0.69 0.14 0.00 0.28 -1.26 -3.02 120.64 115.85 2d9h n GLU 11 Ca 0.14 0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 57.07 2d9h n GLU 11 Cb 0.49 -1.53 -0.04 0.00 1.43 0.00 0.00 31.44 31.79 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 -1.98 -3.38 117.51 121.02 2d9h h ILE 12 Ca -0.54 0.00 -0.34 0.00 -0.12 0.00 0.00 64.86 63.86 2d9h h ILE 12 Cb 2.23 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 35.95 2d9h h ILE 12 CO 0.03 0.00 -2.30 0.00 -0.68 0.00 0.00 178.15 175.19 2d9h n GLY 14 N 2.29 1.94 3.82 0.00 0.00 -1.17 -5.07 105.19 107.00 2d9h n GLY 14 Ca -0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 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 1.71 -0.04 1.61 5.36 -1.25 -4.65 117.98 118.71 2d9h s PHE 15 Ca 0.00 0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 56.47 2d9h s PHE 15 Cb 0.00 -3.74 0.03 0.00 -0.34 0.00 0.00 43.02 38.96 2d9h s PHE 15 CO 0.00 -2.76 0.10 0.95 -1.46 0.00 0.00 175.22 172.06 2d9h s THR 16 N -3.53 -0.03 -0.10 0.12 -4.23 -1.26 0.51 115.64 107.12 2d9h s THR 16 Ca 0.70 0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 61.18 2d9h s THR 16 Cb -0.08 -0.17 0.03 0.00 1.34 0.00 0.00 72.50 73.62 2d9h s THR 16 CO 0.53 0.05 0.38 0.00 -0.54 0.00 0.00 174.62 175.04 2d9h h ARG 18 N 4.90 -0.01 -6.44 0.00 3.08 -1.92 0.60 114.38 114.60 2d9h h ARG 18 Ca -0.28 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.24 2d9h h ARG 18 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2d9h h ARG 18 CO 0.31 0.82 0.74 -0.65 -1.07 0.00 0.00 179.97 180.11 2d9h s GLN 19 N -2.23 4.33 0.04 0.04 -0.21 -1.26 -4.62 119.66 115.75 2d9h s GLN 19 Ca -0.16 1.93 -0.31 0.00 0.02 0.00 0.00 55.36 56.84 2d9h s GLN 19 Cb -0.02 -3.44 -0.18 0.00 1.00 0.00 0.00 33.01 30.37 2d9h s GLN 19 CO 0.58 -0.47 1.35 0.87 -2.12 0.00 0.00 175.29 175.51 2d9h h LYS 20 N 7.32 -1.01 -0.88 2.91 1.79 -2.01 -2.98 116.57 121.72 2d9h h LYS 20 Ca -0.39 0.07 0.23 0.00 -2.18 0.00 0.00 60.65 58.37 2d9h h LYS 20 Cb 1.19 0.23 -0.17 0.00 -1.58 0.00 0.00 32.23 31.91 2d9h h LYS 20 CO 0.87 -0.66 -0.03 0.00 -1.08 0.00 0.00 179.45 178.55 2d9h n ALA 21 N -2.65 0.40 -0.10 3.86 0.00 -1.26 0.12 120.51 120.88 2d9h n ALA 21 Ca -0.14 0.95 -0.07 0.00 0.00 0.00 0.00 53.44 54.18 2d9h n ALA 21 Cb 0.42 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 19.21 2d9h n ALA 21 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2d9h h SER 22 N 0.00 0.23 -0.18 0.00 0.02 -1.95 -2.23 113.55 109.44 2d9h h SER 22 Ca 0.51 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.53 2d9h h SER 22 Cb 1.01 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 2d9h h SER 22 CO -0.85 0.17 -0.19 0.25 -1.14 0.00 0.00 176.83 175.08 2d9h h LEU 23 N 0.34 -0.59 -1.23 5.07 5.85 0.10 0.09 115.31 124.94 2d9h h LEU 23 Ca 0.15 0.11 0.12 0.00 0.84 0.00 0.00 57.88 59.10 2d9h h LEU 23 Cb 0.07 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 2d9h h LEU 23 CO -0.11 -0.23 0.58 0.78 -0.34 0.00 0.00 178.44 179.11 2d9h h ASN 24 N -0.21 0.74 0.76 1.25 2.35 -1.11 0.29 115.58 119.64 2d9h h ASN 24 Ca 0.12 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 2d9h h ASN 24 Cb 0.38 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2d9h h ASN 24 CO -0.31 0.40 -0.38 -0.25 -1.65 0.00 0.00 177.43 175.24 2d9h h TRP 25 N 0.80 0.00 0.00 1.19 2.91 -0.58 -0.66 115.95 119.61 2d9h h TRP 25 Ca 0.43 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.45 2d9h h TRP 25 Cb 0.56 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 2d9h h TRP 25 CO -0.00 0.38 -0.70 1.25 -1.03 0.00 0.00 178.44 178.34 2d9h h HIS 26 N 0.00 0.00 0.05 2.65 2.76 0.11 -3.37 115.15 117.36 2d9h h HIS 26 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.85 2d9h h HIS 26 Cb 0.87 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 2d9h h HIS 26 CO 0.00 0.00 -1.76 1.04 -1.30 0.00 0.00 177.93 175.91 2d9h n GLN 27 N -2.20 0.66 -0.31 5.26 6.02 0.72 -4.13 117.38 123.39 2d9h n GLN 27 Ca 0.03 0.39 0.31 0.00 -0.01 0.00 0.00 57.00 57.72 2d9h n GLN 27 Cb 0.46 -1.70 0.68 0.00 1.02 0.00 0.00 30.24 30.70 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 -0.48 0.11 -0.38 -1.09 0.11 -1.29 0.50 114.38 111.87 2d9h h ARG 28 Ca -0.43 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 59.51 2d9h h ARG 28 Cb 1.68 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.72 2d9h h ARG 28 CO -0.09 0.08 -0.30 1.57 0.10 0.00 0.00 179.97 181.32 2d9h h LYS 29 N 0.12 0.82 -0.75 0.08 2.10 -1.72 -3.09 116.57 114.12 2d9h h LYS 29 Ca 0.57 -0.38 0.12 0.00 -2.00 0.00 0.00 60.65 58.96 2d9h h LYS 29 Cb 2.01 -0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 33.24 2d9h h LYS 29 CO -0.10 1.02 0.34 0.45 -2.00 0.00 0.00 179.45 179.16 2d9h h HIS 30 N 0.70 0.60 -0.96 0.07 3.86 -0.14 -0.84 115.15 118.43 2d9h h HIS 30 Ca 0.08 0.03 0.30 0.00 -1.16 0.00 0.00 60.37 59.62 2d9h h HIS 30 Cb 0.85 -0.15 -0.15 0.00 1.06 0.00 0.00 27.41 29.02 2d9h h HIS 30 CO 0.05 0.14 0.41 0.00 0.86 0.00 0.00 177.93 179.39 2d9h h ALA 31 N 1.51 1.67 0.11 2.45 0.00 -1.48 0.27 119.26 123.79 2d9h h ALA 31 Ca 0.40 0.22 -0.29 0.00 0.00 0.00 0.00 54.91 55.24 2d9h h ALA 31 Cb 0.54 0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.62 2d9h h ALA 31 CO -0.35 -0.57 -1.22 0.93 0.00 0.00 0.00 179.25 178.05 2d9h h GLU 32 N 0.23 0.62 -0.00 0.00 4.39 -1.32 -3.20 114.58 115.30 2d9h h GLU 32 Ca 0.67 -0.82 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2d9h h GLU 32 Cb 1.49 0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 30.41 2d9h h GLU 32 CO -0.66 1.37 0.01 1.15 -1.16 0.00 0.00 179.01 179.72 2d9h h THR 33 N 0.26 0.17 -1.60 1.13 2.02 0.06 -2.90 112.91 112.05 2d9h h THR 33 Ca -0.18 0.00 0.46 0.00 0.77 0.00 0.00 66.41 67.46 2d9h h THR 33 Cb 1.89 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 69.23 2d9h h THR 33 CO 0.23 0.00 1.22 1.33 0.37 0.00 0.00 175.52 178.68 2d9h n VAL 34 N -3.33 0.00 0.53 3.16 0.24 0.07 0.15 118.33 119.15 2d9h n VAL 34 Ca -0.03 1.27 -0.21 0.00 -2.04 0.00 0.00 64.34 63.33 2d9h n VAL 34 Cb 0.08 -2.14 -0.10 0.00 -1.47 0.00 0.00 33.84 30.21 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 0.80 -1.35 -0.70 2.33 0.00 -1.78 -3.19 119.26 115.36 2d9h h ALA 35 Ca 0.76 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.44 2d9h h ALA 35 Cb 3.20 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 21.44 2d9h h ALA 35 CO -0.01 -1.26 -0.41 0.00 0.00 0.00 0.00 179.25 177.57 2d9h n ALA 36 N -2.68 -0.45 -1.68 0.00 0.00 0.12 -4.28 120.51 111.54 2d9h n ALA 36 Ca -0.17 0.59 -0.51 0.00 0.00 0.00 0.00 53.44 53.36 2d9h n ALA 36 Cb 0.53 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 2d9h n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d9h n LEU 37 N -4.69 2.96 -0.01 0.00 7.99 -1.21 -4.55 117.00 117.51 2d9h n LEU 37 Ca 0.01 1.03 0.00 0.00 -0.01 0.00 0.00 56.01 57.04 2d9h n LEU 37 Cb 0.18 -1.30 -0.02 0.00 -0.11 0.00 0.00 43.42 42.18 2d9h n LEU 37 CO -0.11 -0.26 -0.54 -2.11 -1.51 0.00 0.00 177.39 172.85 2d9h n ARG 38 N 5.61 1.71 -3.32 3.23 0.00 0.92 -4.75 116.66 120.06 2d9h n ARG 38 Ca 0.23 -0.01 -0.45 0.00 -0.00 0.00 0.00 57.85 57.61 2d9h n ARG 38 Cb 0.24 -1.05 -0.06 0.00 -0.00 0.00 0.00 32.46 31.59 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 -2.10 3.22 1.02 2.89 0.08 -0.67 -4.93 117.98 117.49 2d9h s PHE 39 Ca -0.01 -1.11 -0.13 0.00 0.12 0.00 0.00 56.93 55.80 2d9h s PHE 39 Cb 0.01 -3.59 0.20 0.00 -0.57 0.00 0.00 43.02 39.07 2d9h s PHE 39 CO 0.09 -0.96 1.09 -1.25 -0.10 0.00 0.00 175.22 174.09 2d9h s PRO 40 N 1.73 0.27 -0.37 0.24 0.04 -1.26 -1.07 135.00 134.58 2d9h s PRO 40 Ca 0.04 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.45 2d9h s PRO 40 Cb -0.27 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2d9h s PRO 40 CO 0.05 -2.83 0.20 0.00 0.04 0.00 0.00 177.00 174.46 2d9h n GLU 42 N 4.99 0.51 -0.12 0.00 0.28 -1.26 0.11 120.64 125.15 2d9h n GLU 42 Ca -0.12 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.66 2d9h n GLU 42 Cb 0.46 -1.38 -0.08 0.00 1.43 0.00 0.00 31.44 31.87 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 -0.88 0.20 -0.01 -1.84 3.72 -1.26 -4.82 117.46 112.57 2d9h n PHE 43 Ca 0.09 0.09 -0.01 0.00 -0.05 0.00 0.00 57.45 57.57 2d9h n PHE 43 Cb 0.04 -0.89 -0.02 0.00 -0.94 0.00 0.00 39.48 37.68 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 2.82 1.05 2.64 0.00 0.00 0.30 -5.00 105.19 107.01 2d9h n GLY 45 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.35 -1.96 -3.77 1.61 5.02 -1.25 -3.91 118.16 113.54 2d9h n LYS 46 Ca 0.00 -0.77 -0.13 0.00 -2.02 0.00 0.00 58.31 55.39 2d9h n LYS 46 Cb 0.00 -1.36 -0.12 0.00 -0.02 0.00 0.00 35.03 33.54 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 -3.60 0.30 0.18 1.97 0.52 -1.26 0.17 118.95 117.24 2d9h s ARG 47 Ca 0.36 0.39 0.06 0.00 -0.52 0.00 0.00 55.73 56.01 2d9h s ARG 47 Cb -0.06 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.48 2d9h s ARG 47 CO 0.30 -0.05 -0.10 -0.06 0.02 0.00 0.00 175.30 175.40 2d9h s PHE 48 N 0.28 1.49 -0.83 -0.53 0.40 -0.23 -4.83 117.98 113.74 2d9h s PHE 48 Ca -0.01 -0.71 0.22 0.00 -0.60 0.00 0.00 56.93 55.83 2d9h s PHE 48 Cb -0.03 -0.75 0.89 0.00 0.51 0.00 0.00 43.02 43.65 2d9h s PHE 48 CO -0.01 0.18 1.69 -0.85 0.70 0.00 0.00 175.22 176.93 2d9h n GLU 49 N -0.31 0.09 -3.60 0.44 0.28 -1.26 -0.05 120.64 116.23 2d9h n GLU 49 Ca -0.09 0.22 -0.10 0.00 -0.16 0.00 0.00 57.16 57.03 2d9h n GLU 49 Cb 0.61 -1.64 -0.03 0.00 1.43 0.00 0.00 31.44 31.81 2d9h n GLU 49 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2d9h s LYS 50 N -3.09 1.34 0.14 3.44 -2.85 -1.26 -4.60 119.74 112.84 2d9h s LYS 50 Ca 0.09 -0.68 -0.11 0.00 -1.00 0.00 0.00 55.97 54.26 2d9h s LYS 50 Cb 0.12 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.40 2d9h s LYS 50 CO 0.42 -0.58 1.47 -1.00 0.10 0.00 0.00 175.35 175.76 2d9h h PRO 51 N 2.11 0.91 -1.04 1.78 0.13 -1.92 -3.05 132.00 130.93 2d9h h PRO 51 Ca -0.31 -0.48 0.27 0.00 -0.87 0.00 0.00 66.00 64.62 2d9h h PRO 51 Cb 1.28 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.32 2d9h h PRO 51 CO 0.37 1.13 0.66 0.22 -0.23 0.00 0.00 178.00 180.15 2d9h h ASP 52 N 0.72 0.50 1.01 1.44 3.58 -1.99 0.56 116.42 122.24 2d9h h ASP 52 Ca 0.06 0.10 -0.19 0.00 0.42 0.00 0.00 57.03 57.42 2d9h h ASP 52 Cb 0.96 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.01 2d9h h ASP 52 CO 0.09 0.07 -0.93 -1.28 -2.88 0.00 0.00 179.24 174.32 2d9h h SER 53 N 0.43 0.00 0.09 2.28 0.87 -1.97 -2.97 113.55 112.28 2d9h h SER 53 Ca 0.62 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 61.00 2d9h h SER 53 Cb 1.49 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.44 2d9h h SER 53 CO -0.36 0.93 -0.66 0.58 -0.53 0.00 0.00 176.83 176.79 2d9h h VAL 54 N 0.00 1.34 -0.20 2.23 2.07 0.06 -1.21 116.25 120.54 2d9h h VAL 54 Ca -0.01 -1.97 -0.17 0.00 0.82 0.00 0.00 66.70 65.37 2d9h h VAL 54 Cb 1.68 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2d9h h VAL 54 CO 0.12 0.61 -0.58 0.00 0.02 0.00 0.00 177.57 177.74 2d9h h ALA 55 N 0.89 0.60 -0.09 1.67 0.00 -0.70 -3.12 119.26 118.51 2d9h h ALA 55 Ca -0.02 -0.53 -0.23 0.00 0.00 0.00 0.00 54.91 54.14 2d9h h ALA 55 Cb 1.23 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2d9h h ALA 55 CO 0.12 0.69 -0.84 0.00 0.00 0.00 0.00 179.25 179.22 2d9h h ALA 56 N 0.87 0.33 -0.76 0.00 0.00 -1.51 -3.19 119.26 115.00 2d9h h ALA 56 Ca 0.00 -0.63 0.11 0.00 0.00 0.00 0.00 54.91 54.39 2d9h h ALA 56 Cb 1.15 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2d9h h ALA 56 CO 0.11 0.71 0.50 1.25 0.00 0.00 0.00 179.25 181.83 2d9h h HIS 57 N 0.43 0.67 0.00 0.00 -0.00 -1.22 0.21 115.15 115.24 2d9h h HIS 57 Ca -0.07 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.30 2d9h h HIS 57 Cb 1.47 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 28.66 2d9h h HIS 57 CO 0.08 0.30 -0.10 0.00 -0.00 0.00 0.00 177.93 178.21 2d9h h ARG 58 N 0.62 0.00 -0.01 5.26 3.08 -1.52 0.89 114.38 122.69 2d9h h ARG 58 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2d9h h ARG 58 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2d9h h ARG 58 CO -0.13 0.10 -0.32 0.43 -1.07 0.00 0.00 179.97 178.97 2d9h n SER 59 N -3.34 1.33 -0.00 7.04 7.64 0.68 -0.20 113.62 126.76 2d9h n SER 59 Ca -0.01 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.79 2d9h n SER 59 Cb 0.29 0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 2d9h n SER 59 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2d9h n LYS 60 N -0.45 1.70 -0.01 1.43 4.76 -0.68 -4.35 118.16 120.56 2d9h n LYS 60 Ca 0.11 -0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.53 2d9h n LYS 60 Cb 0.38 -1.05 -0.02 0.00 -1.84 0.00 0.00 35.03 32.51 2d9h n LYS 60 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2d9h n SER 61 N -1.80 4.51 -0.73 4.39 2.88 0.30 -4.70 113.62 118.47 2d9h n SER 61 Ca -0.02 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.56 2d9h n SER 61 Cb 0.29 0.57 0.20 0.00 -0.75 0.00 0.00 64.21 64.52 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 -2.05 0.30 0.63 0.66 8.25 -0.42 -4.71 115.22 117.88 2d9h n HIS 62 Ca -0.03 -1.50 0.07 0.00 -0.26 0.00 0.00 57.72 56.00 2d9h n HIS 62 Cb 0.54 -0.31 0.35 0.00 1.12 0.00 0.00 29.99 31.69 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 -1.13 0.14 0.02 -0.41 -0.04 0.72 -2.11 135.00 132.19 2d9h n PRO 63 Ca 0.23 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 2d9h n PRO 63 Cb 0.78 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.36 2.79 -0.02 0.55 0.00 -1.26 -4.42 120.51 116.79 2d9h n ALA 64 Ca 0.06 -0.45 -0.21 0.00 0.00 0.00 0.00 53.44 52.84 2d9h n ALA 64 Cb 0.13 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 2d9h n ALA 64 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2d9h h LEU 65 N 0.00 0.29 -0.94 0.00 4.07 -1.77 -3.37 115.31 113.59 2d9h h LEU 65 Ca 0.00 -0.80 0.27 0.00 0.08 0.00 0.00 57.88 57.43 2d9h h LEU 65 Cb 0.98 -0.09 -0.17 0.00 1.08 0.00 0.00 40.66 42.46 2d9h h LEU 65 CO 0.00 1.63 0.13 -0.07 -1.08 0.00 0.00 178.44 179.05 2d9h h LEU 66 N -0.40 -0.27 -9.76 1.67 3.38 -1.71 -3.41 115.31 104.82 2d9h h LEU 66 Ca -0.34 0.25 -0.35 0.00 0.09 0.00 0.00 57.88 57.54 2d9h h LEU 66 Cb 1.70 0.40 0.20 0.00 0.09 0.00 0.00 40.66 43.04 2d9h h LEU 66 CO -0.00 -0.30 -0.20 0.18 0.09 0.00 0.00 178.44 178.21 2d9h n LEU 67 N -5.39 -0.79 -4.53 1.67 4.32 -1.26 -4.91 117.00 106.12 2d9h n LEU 67 Ca 0.23 -0.67 -0.43 0.00 -0.02 0.00 0.00 56.01 55.13 2d9h n LEU 67 Cb 0.77 -0.98 -0.05 0.00 -1.62 0.00 0.00 43.42 41.53 2d9h n LEU 67 CO -0.02 -4.14 0.57 0.00 -1.22 0.00 0.00 177.39 172.59 2d9h s ALA 68 N -2.14 3.28 -0.39 -1.18 0.00 -1.26 -5.00 121.76 115.06 2d9h s ALA 68 Ca 0.60 -1.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.22 2d9h s ALA 68 Cb -0.13 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2d9h s ALA 68 CO 0.53 -1.98 1.72 -1.25 0.00 0.00 0.00 175.76 174.78 2d9h s PRO 69 N 3.33 3.28 -0.22 0.00 0.04 -1.26 -4.98 135.00 135.19 2d9h s PRO 69 Ca 0.29 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 2d9h s PRO 69 Cb -0.12 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.20 2d9h s PRO 69 CO 0.22 -1.93 0.61 1.14 0.04 0.00 0.00 177.00 177.09 2d9h s GLN 70 N 5.71 4.16 0.12 4.56 -2.07 -1.26 -5.02 119.66 125.86 2d9h s GLN 70 Ca 0.74 0.55 -0.25 0.00 -1.82 0.00 0.00 55.36 54.58 2d9h s GLN 70 Cb -0.19 -3.61 0.07 0.00 -1.09 0.00 0.00 33.01 28.19 2d9h s GLN 70 CO 0.31 -0.31 0.90 -1.83 -1.32 0.00 0.00 175.29 173.05 2d9h s GLU 71 N 2.15 1.16 -0.20 9.60 -1.05 -1.26 -5.15 118.70 123.94 2d9h s GLU 71 Ca 0.27 -0.59 -0.08 0.00 -0.15 0.00 0.00 54.97 54.42 2d9h s GLU 71 Cb -0.16 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 33.92 2d9h s GLU 71 CO 0.09 -0.52 0.09 0.45 0.95 0.00 0.00 175.26 176.32 2d9h s SER 72 N -2.81 5.73 0.10 0.83 0.15 -1.26 -5.09 113.70 111.35 2d9h s SER 72 Ca 0.10 0.07 -0.07 0.00 0.70 0.00 0.00 55.95 56.74 2d9h s SER 72 Cb -0.02 -2.00 -0.01 0.00 -1.71 0.00 0.00 66.02 62.28 2d9h s SER 72 CO -0.01 0.13 0.17 -0.94 1.20 0.00 0.00 173.24 173.79 2d9h s SER 73 N 0.64 0.16 -0.30 5.45 1.04 -1.26 -5.14 113.70 114.29 2d9h s SER 73 Ca 0.05 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.70 2d9h s SER 73 Cb -0.13 0.34 0.10 0.00 0.10 0.00 0.00 66.02 66.43 2d9h s SER 73 CO 0.01 -0.74 0.10 -0.83 0.98 0.00 0.00 173.24 172.76 2d9h s GLY 74 N -2.90 0.99 1.20 7.32 0.00 -1.26 -5.13 107.32 107.54 2d9h s GLY 74 Ca 0.08 -1.55 -0.19 0.00 0.00 0.00 0.00 44.72 43.06 2d9h s GLY 74 CO -0.08 1.65 1.11 2.56 0.00 0.00 0.00 173.10 178.34 2d9h s PRO 75 N 1.68 -1.21 -0.12 2.90 0.04 -1.26 -5.03 135.00 132.00 2d9h s PRO 75 Ca 0.09 -0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.02 2d9h s PRO 75 Cb -0.17 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2d9h s PRO 75 CO -0.26 -3.71 -0.10 0.77 0.04 0.00 0.00 177.00 173.75 2d9h h SER 76 N -2.58 0.00 -5.15 6.66 0.02 -2.10 -3.49 113.55 106.91 2d9h h SER 76 Ca -0.45 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 2d9h h SER 76 Cb 1.29 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.70 2d9h h SER 76 CO 0.34 0.63 -0.24 -0.55 -1.14 0.00 0.00 176.83 175.87 2d9h s SER 77 N -5.62 -0.03 0.00 3.07 0.15 -1.26 -5.36 113.70 104.65 2d9h s SER 77 Ca -0.08 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2d9h s SER 77 Cb 0.01 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2d9h s SER 77 CO 0.12 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.35