#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6x s ARG 2 N 0.00 1.08 0.00 0.03 6.06 -1.26 -5.18 118.95 119.68 1o6x s ARG 2 Ca 0.00 0.02 0.00 0.00 -2.50 0.00 0.00 55.73 53.25 1o6x s ARG 2 Cb 0.00 0.50 0.00 0.00 0.06 0.00 0.00 34.95 35.51 1o6x s ARG 2 CO 0.00 -0.39 0.00 -1.13 -2.50 0.00 0.00 175.30 171.28 1o6x n SER 3 N 0.48 0.00 -4.03 -2.12 3.41 -1.26 -5.14 113.62 104.97 1o6x n SER 3 Ca -0.17 -0.32 -0.17 0.00 -0.26 0.00 0.00 58.87 57.94 1o6x n SER 3 Cb 0.60 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 1o6x n SER 3 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1o6x s LEU 4 N 0.00 1.57 0.11 1.04 1.43 -1.26 -5.17 118.68 116.40 1o6x s LEU 4 Ca 0.00 -1.51 0.07 0.00 -1.03 0.00 0.00 54.13 51.66 1o6x s LEU 4 Cb 0.00 0.23 -0.04 0.00 0.03 0.00 0.00 46.19 46.41 1o6x s LEU 4 CO 0.00 -0.87 -0.09 -0.70 0.23 0.00 0.00 176.35 174.92 1o6x s GLU 5 N -3.89 2.14 0.14 1.70 2.56 -1.26 -5.14 118.70 114.95 1o6x s GLU 5 Ca 0.37 -1.03 0.01 0.00 0.00 0.00 0.00 54.97 54.32 1o6x s GLU 5 Cb 0.06 -2.31 0.01 0.00 2.00 0.00 0.00 34.13 33.89 1o6x s GLU 5 CO 0.17 0.50 0.11 0.25 -0.56 0.00 0.00 175.26 175.73 1o6x n THR 6 N 0.65 0.00 -3.66 -1.70 -2.24 -1.26 -5.15 114.28 100.92 1o6x n THR 6 Ca -0.13 -0.55 -0.02 0.00 -2.27 0.00 0.00 64.05 61.08 1o6x n THR 6 Cb 0.52 -0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.34 1o6x n THR 6 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1o6x n PHE 7 N -0.88 -1.09 -2.03 4.78 3.72 -1.26 -5.19 117.46 115.52 1o6x n PHE 7 Ca -0.00 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 1o6x n PHE 7 Cb 0.16 0.36 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1o6x n PHE 7 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1o6x n VAL 8 N -0.38 0.00 -3.81 -4.37 3.14 -1.26 -5.18 118.33 106.46 1o6x n VAL 8 Ca -0.02 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.25 1o6x n VAL 8 Cb 0.32 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.01 1o6x n VAL 8 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1o6x s GLY 9 N 0.00 -0.04 0.45 7.55 0.00 -1.26 -5.12 107.32 108.90 1o6x s GLY 9 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 44.72 44.63 1o6x s GLY 9 CO 0.00 -0.22 0.61 1.22 0.00 0.00 0.00 173.10 174.72 1o6x n ASP 10 N 1.00 0.31 -3.64 1.64 9.92 -1.26 -2.55 116.55 121.97 1o6x n ASP 10 Ca -0.20 -1.39 -0.06 0.00 -0.53 0.00 0.00 54.79 52.61 1o6x n ASP 10 Cb 0.57 -0.45 -0.07 0.00 -0.64 0.00 0.00 41.12 40.54 1o6x n ASP 10 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1o6x s GLN 11 N -4.20 0.36 0.47 -1.24 0.74 0.19 -4.58 119.66 111.40 1o6x s GLN 11 Ca 0.37 0.48 0.02 0.00 0.05 0.00 0.00 55.36 56.28 1o6x s GLN 11 Cb -0.01 0.15 0.01 0.00 1.10 0.00 0.00 33.01 34.26 1o6x s GLN 11 CO 0.25 -0.05 0.68 0.08 -0.55 0.00 0.00 175.29 175.70 1o6x s VAL 12 N 0.52 3.35 -0.14 1.34 1.01 -1.25 0.13 120.40 125.36 1o6x s VAL 12 Ca 0.00 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 1o6x s VAL 12 Cb -0.04 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.17 1o6x s VAL 12 CO -0.10 -0.14 0.59 -1.48 0.00 0.00 0.00 175.10 173.97 1o6x s LEU 13 N -4.57 -0.28 -0.22 3.92 0.05 -1.14 -3.47 118.68 112.96 1o6x s LEU 13 Ca 0.52 0.90 -0.12 0.00 0.05 0.00 0.00 54.13 55.48 1o6x s LEU 13 Cb -0.10 2.14 -0.05 0.00 -2.05 0.00 0.00 46.19 46.13 1o6x s LEU 13 CO 0.37 -0.38 0.23 -1.83 -0.55 0.00 0.00 176.35 174.19 1o6x s GLU 14 N -0.42 4.12 0.04 1.48 -1.05 0.15 -3.57 118.70 119.45 1o6x s GLU 14 Ca -0.06 -0.11 0.07 0.00 -0.15 0.00 0.00 54.97 54.72 1o6x s GLU 14 Cb -0.03 -3.52 -0.03 0.00 -0.44 0.00 0.00 34.13 30.11 1o6x s GLU 14 CO 0.04 0.07 -0.18 0.42 0.95 0.00 0.00 175.26 176.56 1o6x s ILE 15 N 1.02 2.78 -0.40 1.83 1.01 -0.29 0.80 121.20 127.96 1o6x s ILE 15 Ca 0.11 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1o6x s ILE 15 Cb -0.14 -2.17 0.12 0.00 0.01 0.00 0.00 42.46 40.29 1o6x s ILE 15 CO 0.05 0.35 0.17 -0.69 0.00 0.00 0.00 174.94 174.82 1o6x s VAL 16 N -0.91 1.51 0.51 2.92 1.01 -0.43 -1.11 120.40 123.89 1o6x s VAL 16 Ca 0.14 -2.28 -0.09 0.00 0.00 0.00 0.00 61.98 59.75 1o6x s VAL 16 Cb -0.10 -2.08 0.12 0.00 0.00 0.00 0.00 36.38 34.31 1o6x s VAL 16 CO 0.05 -0.78 0.56 -0.81 0.00 0.00 0.00 175.10 174.12 1o6x n PRO 17 N 3.96 -1.30 0.00 2.72 -0.04 -1.26 -4.36 135.00 134.72 1o6x n PRO 17 Ca 0.05 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1o6x n PRO 17 Cb 0.37 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 1o6x n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1o6x n SER 18 N -3.63 0.00 -4.84 3.54 2.88 -1.26 -3.94 113.62 106.36 1o6x n SER 18 Ca 0.07 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.33 1o6x n SER 18 Cb 0.27 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.68 1o6x n SER 18 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1o6x s ASN 19 N 0.00 5.83 0.22 -3.46 0.01 -1.26 -4.84 114.94 111.44 1o6x s ASN 19 Ca 0.00 0.05 -0.05 0.00 -0.71 0.00 0.00 52.86 52.15 1o6x s ASN 19 Cb 0.00 -1.64 0.21 0.00 0.41 0.00 0.00 41.25 40.23 1o6x s ASN 19 CO 0.00 0.13 1.68 -0.33 -1.51 0.00 0.00 177.10 177.07 1o6x h GLU 20 N 2.84 0.87 -0.47 -0.60 3.07 -2.00 -1.37 114.58 116.93 1o6x h GLU 20 Ca -0.47 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.11 1o6x h GLU 20 Cb 1.18 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 1o6x h GLU 20 CO 0.68 0.92 0.30 1.49 -1.40 0.00 0.00 179.01 180.99 1o6x h GLU 21 N 0.78 0.62 -0.63 2.33 4.81 -1.96 1.45 114.58 121.99 1o6x h GLU 21 Ca 0.13 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1o6x h GLU 21 Cb 0.59 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1o6x h GLU 21 CO 0.04 0.43 0.11 1.96 -0.73 0.00 0.00 179.01 180.82 1o6x h GLN 22 N 0.63 1.05 -0.18 1.92 7.50 -1.78 -0.85 115.11 123.39 1o6x h GLN 22 Ca 0.17 -0.28 -0.18 0.00 0.50 0.00 0.00 58.65 58.87 1o6x h GLN 22 Cb -0.04 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 27.36 1o6x h GLN 22 CO -0.03 0.97 -0.61 0.82 -1.50 0.00 0.00 178.83 178.48 1o6x h ILE 23 N 0.96 1.32 0.00 2.54 2.04 -0.78 -2.45 117.51 121.15 1o6x h ILE 23 Ca 0.19 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1o6x h ILE 23 Cb 0.43 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1o6x h ILE 23 CO 0.01 0.58 0.00 0.50 0.00 0.00 0.00 178.15 179.24 1o6x h LYS 24 N 0.45 0.00 0.24 2.37 3.64 0.23 -2.82 116.57 120.68 1o6x h LYS 24 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1o6x h LYS 24 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1o6x h LYS 24 CO 0.12 0.00 -0.11 -0.97 -2.27 0.00 0.00 179.45 176.21 1o6x h ASN 25 N 0.00 -0.27 0.01 4.20 -0.73 -0.66 -2.53 115.58 115.60 1o6x h ASN 25 Ca 0.00 -0.20 0.02 0.00 1.87 0.00 0.00 56.30 57.99 1o6x h ASN 25 Cb 0.34 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.96 1o6x h ASN 25 CO 0.00 0.24 -0.44 0.25 -0.37 0.00 0.00 177.43 177.11 1o6x h LEU 26 N -0.98 -1.35 -0.86 0.34 5.85 -1.42 0.28 115.31 117.17 1o6x h LEU 26 Ca -0.03 0.15 0.16 0.00 0.84 0.00 0.00 57.88 58.99 1o6x h LEU 26 Cb 0.45 0.51 -0.16 0.00 0.37 0.00 0.00 40.66 41.83 1o6x h LEU 26 CO 0.05 -0.43 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.37 1o6x h LEU 27 N -0.56 -1.04 -1.19 2.25 3.38 -1.63 1.57 115.31 118.08 1o6x h LEU 27 Ca 0.01 0.27 0.08 0.00 0.09 0.00 0.00 57.88 58.33 1o6x h LEU 27 Cb 0.60 0.60 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1o6x h LEU 27 CO -0.29 -0.29 0.57 -0.61 0.09 0.00 0.00 178.44 177.91 1o6x h GLN 28 N -0.03 0.91 0.48 1.13 4.15 -0.77 0.31 115.11 121.30 1o6x h GLN 28 Ca 0.37 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 1o6x h GLN 28 Cb 0.61 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1o6x h GLN 28 CO -0.89 0.60 -0.23 1.25 -1.93 0.00 0.00 178.83 177.63 1o6x h LEU 29 N 0.93 -0.55 -1.93 -2.39 5.85 0.56 -2.74 115.31 115.04 1o6x h LEU 29 Ca 0.39 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.21 1o6x h LEU 29 Cb 0.31 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1o6x h LEU 29 CO -0.16 -0.29 0.43 -0.08 -0.34 0.00 0.00 178.44 178.01 1o6x h GLU 30 N -0.87 0.00 -0.48 1.25 4.22 -0.00 0.41 114.58 119.10 1o6x h GLU 30 Ca -0.07 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.31 1o6x h GLU 30 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1o6x h GLU 30 CO 0.11 0.00 0.06 0.00 -2.18 0.00 0.00 179.01 177.00 1o6x h ALA 31 N 1.40 0.65 -0.41 2.92 0.00 -0.13 -3.34 119.26 120.34 1o6x h ALA 31 Ca 0.13 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 1o6x h ALA 31 Cb 1.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1o6x h ALA 31 CO -0.00 0.39 1.15 1.04 0.00 0.00 0.00 179.25 181.84 1o6x n GLN 32 N -4.40 0.40 -0.32 0.00 1.13 0.14 -4.73 117.38 109.60 1o6x n GLN 32 Ca 0.01 -0.33 0.16 0.00 -1.94 0.00 0.00 57.00 54.90 1o6x n GLN 32 Cb 0.27 -2.53 0.30 0.00 0.11 0.00 0.00 30.24 28.39 1o6x n GLN 32 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1o6x n GLU 33 N 7.80 -0.07 -0.34 -1.09 0.28 -1.26 0.13 120.64 126.08 1o6x n GLU 33 Ca 0.54 1.38 0.06 0.00 -0.16 0.00 0.00 57.16 58.98 1o6x n GLU 33 Cb 0.31 -2.23 0.14 0.00 1.43 0.00 0.00 31.44 31.09 1o6x n GLU 33 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1o6x h HIS 34 N 0.00 -0.47 0.00 -1.84 -0.00 -1.94 -3.30 115.15 107.59 1o6x h HIS 34 Ca 0.59 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 61.05 1o6x h HIS 34 Cb 1.27 0.36 0.00 0.00 -0.00 0.00 0.00 27.41 29.04 1o6x h HIS 34 CO -0.42 -0.41 0.00 1.28 -0.00 0.00 0.00 177.93 178.38 1o6x n LEU 35 N -5.59 0.00 -1.39 2.43 4.77 0.34 -5.05 117.00 112.50 1o6x n LEU 35 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1o6x n LEU 35 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1o6x n LEU 35 CO -0.10 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.63 1o6x n GLN 36 N 0.00 0.00 -2.70 3.23 7.27 -0.99 -5.06 117.38 119.13 1o6x n GLN 36 Ca 0.00 0.46 -0.30 0.00 0.07 0.00 0.00 57.00 57.23 1o6x n GLN 36 Cb 0.00 -1.39 -0.02 0.00 2.41 0.00 0.00 30.24 31.24 1o6x n GLN 36 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1o6x s LEU 37 N -1.87 3.73 -0.30 1.69 1.02 -1.26 -5.05 118.68 116.64 1o6x s LEU 37 Ca 0.00 1.14 -0.10 0.00 0.02 0.00 0.00 54.13 55.19 1o6x s LEU 37 Cb 0.00 -4.05 -0.02 0.00 0.02 0.00 0.00 46.19 42.13 1o6x s LEU 37 CO 0.00 -0.49 0.16 -1.81 0.02 0.00 0.00 176.35 174.24 1o6x s ASP 38 N -3.43 5.69 -0.18 2.29 1.11 -1.26 -4.92 116.67 115.97 1o6x s ASP 38 Ca 0.51 -0.31 -0.18 0.00 0.18 0.00 0.00 52.55 52.75 1o6x s ASP 38 Cb -0.10 -2.04 -0.04 0.00 1.07 0.00 0.00 42.92 41.81 1o6x s ASP 38 CO 0.36 -0.13 0.50 -0.36 1.18 0.00 0.00 175.17 176.71 1o6x s PHE 39 N 1.67 3.41 -0.01 4.23 0.08 -1.26 -3.99 117.98 122.11 1o6x s PHE 39 Ca 0.06 0.79 -0.10 0.00 0.12 0.00 0.00 56.93 57.79 1o6x s PHE 39 Cb -0.16 -2.63 -0.06 0.00 -0.57 0.00 0.00 43.02 39.60 1o6x s PHE 39 CO 0.08 -0.02 0.63 -1.49 -0.10 0.00 0.00 175.22 174.31 1o6x h TRP 40 N 7.25 -0.35 -3.15 0.36 4.06 -1.89 -3.40 115.95 118.84 1o6x h TRP 40 Ca -0.36 -0.01 -0.69 0.00 2.06 0.00 0.00 58.89 59.89 1o6x h TRP 40 Cb 1.16 0.11 -0.19 0.00 -1.00 0.00 0.00 29.16 29.25 1o6x h TRP 40 CO 0.68 -0.22 0.06 0.15 -3.56 0.00 0.00 178.44 175.56 1o6x s LYS 41 N -2.93 3.10 -0.98 0.49 1.02 -1.26 -4.95 119.74 114.23 1o6x s LYS 41 Ca -0.05 -1.01 -0.31 0.00 0.02 0.00 0.00 55.97 54.61 1o6x s LYS 41 Cb 0.01 -4.15 -0.22 0.00 -0.52 0.00 0.00 37.83 32.95 1o6x s LYS 41 CO 0.16 -1.31 2.68 -1.13 -0.92 0.00 0.00 175.35 174.83 1o6x n SER 42 N 6.21 0.32 0.00 2.83 3.41 -1.26 -4.36 113.62 120.76 1o6x n SER 42 Ca -0.07 0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1o6x n SER 42 Cb 0.45 -0.92 0.68 0.00 -0.26 0.00 0.00 64.21 64.15 1o6x n SER 42 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1o6x n PRO 43 N 8.47 0.75 -0.66 4.33 -0.04 -1.26 -3.88 135.00 142.70 1o6x n PRO 43 Ca 0.65 0.00 0.50 0.00 -0.04 0.00 0.00 63.50 64.61 1o6x n PRO 43 Cb 0.03 -1.47 0.77 0.00 -0.04 0.00 0.00 33.50 32.79 1o6x n PRO 43 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1o6x n THR 44 N -0.97 -0.00 -4.24 0.52 -1.04 -1.26 -4.26 114.28 103.02 1o6x n THR 44 Ca 0.17 1.40 -0.18 0.00 -2.04 0.00 0.00 64.05 63.40 1o6x n THR 44 Cb 0.08 -2.33 -0.11 0.00 -1.82 0.00 0.00 70.33 66.15 1o6x n THR 44 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1o6x s THR 45 N -4.73 1.33 0.90 12.58 -4.23 -1.25 -4.98 115.64 115.25 1o6x s THR 45 Ca -0.05 -1.73 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 1o6x s THR 45 Cb 0.25 -1.54 0.13 0.00 1.34 0.00 0.00 72.50 72.68 1o6x s THR 45 CO 0.83 -0.42 1.13 -2.16 -0.54 0.00 0.00 174.62 173.46 1o6x s PRO 46 N -2.70 1.26 0.00 3.99 0.04 -1.26 -3.92 135.00 132.41 1o6x s PRO 46 Ca 0.09 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1o6x s PRO 46 Cb -0.05 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1o6x s PRO 46 CO 0.03 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.36 1o6x n GLY 47 N -2.21 1.89 3.43 0.56 0.00 -1.25 -4.93 105.19 102.68 1o6x n GLY 47 Ca 0.07 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 1o6x n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o6x s GLU 48 N 0.00 3.11 0.80 1.61 2.02 -1.25 -4.97 118.70 120.02 1o6x s GLU 48 Ca 0.00 -0.94 -0.15 0.00 0.02 0.00 0.00 54.97 53.90 1o6x s GLU 48 Cb 0.00 -4.21 0.01 0.00 0.10 0.00 0.00 34.13 30.03 1o6x s GLU 48 CO 0.00 -1.64 0.65 0.25 0.02 0.00 0.00 175.26 174.54 1o6x n THR 49 N 5.80 1.43 -4.33 3.63 -2.24 -1.26 -4.57 114.28 112.74 1o6x n THR 49 Ca -0.05 -0.30 -0.27 0.00 -2.27 0.00 0.00 64.05 61.15 1o6x n THR 49 Cb 0.45 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 1o6x n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o6x s ALA 50 N -2.07 2.79 -0.35 6.98 0.00 -0.27 -4.41 121.76 124.43 1o6x s ALA 50 Ca 0.65 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1o6x s ALA 50 Cb -0.30 -0.62 0.15 0.00 0.00 0.00 0.00 23.12 22.35 1o6x s ALA 50 CO 0.59 0.48 0.36 -1.01 0.00 0.00 0.00 175.76 176.18 1o6x s HIS 51 N -1.59 -0.35 0.00 0.00 3.76 -1.25 -1.14 115.29 114.72 1o6x s HIS 51 Ca 0.23 -0.64 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1o6x s HIS 51 Cb -0.09 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 1o6x s HIS 51 CO 0.13 -0.96 -0.07 0.54 -0.85 0.00 0.00 174.74 173.53 1o6x s VAL 52 N 1.67 3.64 -1.14 -0.90 0.11 -1.23 -2.59 120.40 119.96 1o6x s VAL 52 Ca 0.15 -0.78 -0.18 0.00 -2.93 0.00 0.00 61.98 58.24 1o6x s VAL 52 Cb -0.15 -2.58 0.11 0.00 -1.53 0.00 0.00 36.38 32.23 1o6x s VAL 52 CO -0.11 0.39 1.46 0.00 -3.33 0.00 0.00 175.10 173.51 1o6x s ARG 53 N -1.42 3.87 0.29 1.54 1.70 -1.26 -2.90 118.95 120.77 1o6x s ARG 53 Ca 0.17 -1.99 -0.27 0.00 -0.47 0.00 0.00 55.73 53.17 1o6x s ARG 53 Cb -0.11 -5.22 -0.09 0.00 -0.57 0.00 0.00 34.95 28.96 1o6x s ARG 53 CO 0.08 -1.98 0.93 0.54 -1.08 0.00 0.00 175.30 173.78 1o6x s VAL 54 N 3.14 4.19 -0.02 4.99 0.11 0.34 -4.58 120.40 128.58 1o6x s VAL 54 Ca 0.44 1.87 -0.30 0.00 -2.93 0.00 0.00 61.98 61.06 1o6x s VAL 54 Cb -0.01 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 1o6x s VAL 54 CO -0.01 0.26 1.20 -2.16 -3.33 0.00 0.00 175.10 171.05 1o6x s PRO 55 N -1.78 4.38 0.49 1.54 0.04 -1.26 0.55 135.00 138.95 1o6x s PRO 55 Ca 0.47 1.71 0.43 0.00 0.04 0.00 0.00 61.00 63.64 1o6x s PRO 55 Cb -0.21 -3.49 1.55 0.00 0.04 0.00 0.00 34.50 32.39 1o6x s PRO 55 CO 0.26 -0.38 1.44 0.34 0.04 0.00 0.00 177.00 178.70 1o6x n PHE 56 N 4.77 0.16 0.03 0.56 7.35 -1.06 0.23 117.46 129.50 1o6x n PHE 56 Ca 0.10 0.16 -0.13 0.00 -0.76 0.00 0.00 57.45 56.83 1o6x n PHE 56 Cb 0.46 -0.61 -0.09 0.00 0.35 0.00 0.00 39.48 39.59 1o6x n PHE 56 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 1o6x h VAL 57 N 0.00 1.17 0.00 -2.13 3.04 -1.90 -3.04 116.25 113.39 1o6x h VAL 57 Ca 0.86 -0.71 -0.10 0.00 -1.01 0.00 0.00 66.70 65.73 1o6x h VAL 57 Cb 3.29 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 34.19 1o6x h VAL 57 CO -0.11 0.18 -0.50 -1.13 -1.01 0.00 0.00 177.57 175.00 1o6x h ASN 58 N -0.38 0.00 -1.00 3.17 -1.24 0.25 -3.28 115.58 113.10 1o6x h ASN 58 Ca -0.01 0.00 0.33 0.00 0.71 0.00 0.00 56.30 57.33 1o6x h ASN 58 Cb 0.34 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.21 1o6x h ASN 58 CO 0.01 0.50 0.22 0.52 -1.29 0.00 0.00 177.43 177.39 1o6x n VAL 59 N -3.24 -0.42 0.00 2.57 0.31 0.61 0.13 118.33 118.30 1o6x n VAL 59 Ca 0.02 2.13 0.00 0.00 -0.01 0.00 0.00 64.34 66.48 1o6x n VAL 59 Cb 0.72 -3.24 0.00 0.00 -0.91 0.00 0.00 33.84 30.42 1o6x n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1o6x n GLN 60 N -5.40 0.00 -0.41 5.55 7.27 -1.24 0.18 117.38 123.33 1o6x n GLN 60 Ca 0.29 0.50 0.37 0.00 0.07 0.00 0.00 57.00 58.23 1o6x n GLN 60 Cb 0.97 -1.44 0.73 0.00 2.41 0.00 0.00 30.24 32.90 1o6x n GLN 60 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1o6x h ALA 61 N -2.00 3.13 0.05 1.69 0.00 -1.30 1.54 119.26 122.37 1o6x h ALA 61 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 1o6x h ALA 61 Cb 0.00 0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1o6x h ALA 61 CO 0.00 -1.55 -1.06 0.28 0.00 0.00 0.00 179.25 176.92 1o6x h VAL 62 N 0.06 1.30 -0.31 0.00 2.07 0.14 -1.86 116.25 117.65 1o6x h VAL 62 Ca 0.67 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 1o6x h VAL 62 Cb 2.50 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 34.81 1o6x h VAL 62 CO -0.08 0.71 0.13 0.50 0.02 0.00 0.00 177.57 178.84 1o6x h LYS 63 N 0.26 0.43 0.01 1.57 3.64 1.28 -0.15 116.57 123.62 1o6x h LYS 63 Ca -0.15 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 58.98 1o6x h LYS 63 Cb 1.74 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 1o6x h LYS 63 CO 0.21 0.35 -0.91 0.28 -2.27 0.00 0.00 179.45 177.11 1o6x h VAL 64 N 0.43 1.47 0.53 2.00 2.07 -0.58 -3.13 116.25 119.05 1o6x h VAL 64 Ca 0.11 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.00 1o6x h VAL 64 Cb 0.08 2.48 0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1o6x h VAL 64 CO -0.01 0.76 -0.26 0.15 0.02 0.00 0.00 177.57 178.23 1o6x h PHE 65 N 0.14 -0.66 -0.53 1.57 3.57 -0.31 0.10 116.94 120.81 1o6x h PHE 65 Ca -0.06 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.51 1o6x h PHE 65 Cb 1.55 0.22 -0.10 0.00 2.79 0.00 0.00 35.95 40.41 1o6x h PHE 65 CO 0.04 -0.34 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.31 1o6x h LEU 66 N -0.92 -1.37 -0.49 0.59 3.38 -1.18 0.50 115.31 115.82 1o6x h LEU 66 Ca -0.07 0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1o6x h LEU 66 Cb 0.62 0.63 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1o6x h LEU 66 CO 0.12 -0.33 0.23 -0.33 0.09 0.00 0.00 178.44 178.22 1o6x h GLU 67 N -0.24 0.44 -0.82 1.13 4.39 -1.52 -0.61 114.58 117.36 1o6x h GLU 67 Ca 0.18 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.96 1o6x h GLU 67 Cb 0.56 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.04 1o6x h GLU 67 CO -0.65 0.29 0.46 0.66 -1.16 0.00 0.00 179.01 178.61 1o6x h SER 68 N 0.46 0.63 -0.08 1.42 4.64 0.19 0.64 113.55 121.44 1o6x h SER 68 Ca 0.22 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1o6x h SER 68 Cb 0.15 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1o6x h SER 68 CO -0.17 0.34 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 1o6x n GLN 69 N -4.78 1.25 -3.97 4.77 10.64 0.15 -4.88 117.38 120.56 1o6x n GLN 69 Ca 0.14 -0.32 -0.31 0.00 -1.83 0.00 0.00 57.00 54.68 1o6x n GLN 69 Cb 0.31 -1.18 -0.01 0.00 -0.86 0.00 0.00 30.24 28.49 1o6x n GLN 69 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1o6x n GLY 70 N 0.51 -0.46 3.86 2.61 0.00 0.22 -4.67 105.19 107.26 1o6x n GLY 70 Ca 0.03 0.25 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1o6x n GLY 70 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1o6x s ILE 71 N -3.86 1.89 -0.14 -0.61 2.07 -0.34 -5.01 121.20 115.20 1o6x s ILE 71 Ca 0.18 -1.53 0.00 0.00 -1.41 0.00 0.00 60.65 57.88 1o6x s ILE 71 Cb -0.08 -2.43 0.02 0.00 0.13 0.00 0.00 42.46 40.11 1o6x s ILE 71 CO 0.91 0.00 -0.12 0.00 -1.91 0.00 0.00 174.94 173.82 1o6x s ALA 72 N -2.70 1.69 0.00 1.50 0.00 -1.26 -4.61 121.76 116.38 1o6x s ALA 72 Ca 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1o6x s ALA 72 Cb -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1o6x s ALA 72 CO 0.21 -0.40 0.00 2.48 0.00 0.00 0.00 175.76 178.05 1o6x n TYR 73 N 4.82 0.00 -3.67 0.00 4.11 -1.26 -1.31 117.16 119.85 1o6x n TYR 73 Ca -0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.71 1o6x n TYR 73 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.83 1o6x n TYR 73 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1o6x s SER 74 N -0.79 -0.17 -0.17 9.48 0.01 0.24 -4.94 113.70 117.36 1o6x s SER 74 Ca 0.00 -0.25 -0.10 0.00 1.31 0.00 0.00 55.95 56.91 1o6x s SER 74 Cb 0.00 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.55 1o6x s SER 74 CO 0.00 -0.67 0.16 -0.63 0.41 0.00 0.00 173.24 172.51 1o6x s ILE 75 N -2.99 5.41 -0.22 1.44 1.09 -1.26 0.31 121.20 124.97 1o6x s ILE 75 Ca 0.11 0.26 -0.16 0.00 -1.10 0.00 0.00 60.65 59.76 1o6x s ILE 75 Cb 0.00 -3.48 -0.11 0.00 -1.06 0.00 0.00 42.46 37.81 1o6x s ILE 75 CO -0.01 0.48 -0.20 0.80 -0.10 0.00 0.00 174.94 175.90 1o6x n MET 76 N 3.15 0.55 -4.25 2.79 1.56 -1.23 -4.80 117.12 114.89 1o6x n MET 76 Ca -0.16 0.36 -0.17 0.00 -0.27 0.00 0.00 57.70 57.46 1o6x n MET 76 Cb 0.53 -1.57 -0.15 0.00 2.15 0.00 0.00 33.22 34.18 1o6x n MET 76 CO 0.00 0.00 0.00 -1.50 -0.73 0.00 0.00 175.97 173.74 1o6x s ILE 77 N -2.53 0.55 0.00 1.12 1.10 -1.26 -5.06 121.20 115.11 1o6x s ILE 77 Ca -0.31 -0.28 0.00 0.00 -0.51 0.00 0.00 60.65 59.55 1o6x s ILE 77 Cb 0.08 -0.47 0.00 0.00 0.15 0.00 0.00 42.46 42.23 1o6x s ILE 77 CO 0.46 0.16 0.00 1.21 -2.11 0.00 0.00 174.94 174.66 1o6x n GLU 78 N 2.99 0.44 -2.77 3.50 2.13 -1.26 -3.84 120.64 121.83 1o6x n GLU 78 Ca -0.14 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.25 1o6x n GLU 78 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1o6x n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1o6x n ASP 79 N 0.00 5.29 -4.54 4.31 8.00 -1.26 -4.96 116.55 123.39 1o6x n ASP 79 Ca 0.00 -3.06 -0.42 0.00 0.71 0.00 0.00 54.79 52.02 1o6x n ASP 79 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 39.52 1o6x n ASP 79 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1o6x s VAL 80 N 0.58 5.02 -0.04 2.53 0.11 -1.26 -5.33 120.40 122.00 1o6x s VAL 80 Ca 0.40 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1o6x s VAL 80 Cb 0.01 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1o6x s VAL 80 CO 0.00 -0.27 0.01 1.67 -3.33 0.00 0.00 175.10 173.18