#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 0.01 -0.30 2.12 6.06 -1.26 -5.17 118.95 120.42 1o6x s ARG 2 Ca 0.00 0.01 -0.25 0.00 -2.50 0.00 0.00 55.73 52.98 1o6x s ARG 2 Cb 0.00 0.00 0.19 0.00 0.06 0.00 0.00 34.95 35.21 1o6x s ARG 2 CO 0.00 -0.02 1.44 0.45 -2.50 0.00 0.00 175.30 174.67 1o6x s SER 3 N 2.78 -0.04 0.10 -2.12 0.15 -1.26 -5.19 113.70 108.12 1o6x s SER 3 Ca 0.29 0.08 -0.03 0.00 0.70 0.00 0.00 55.95 56.99 1o6x s SER 3 Cb 0.02 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1o6x s SER 3 CO -0.21 -0.02 0.07 -0.76 1.20 0.00 0.00 173.24 173.53 1o6x s LEU 4 N -0.10 1.87 0.31 3.45 1.43 -1.26 -5.17 118.68 119.20 1o6x s LEU 4 Ca 0.08 -1.03 0.10 0.00 -1.03 0.00 0.00 54.13 52.24 1o6x s LEU 4 Cb -0.05 0.47 -0.05 0.00 0.03 0.00 0.00 46.19 46.59 1o6x s LEU 4 CO -0.15 -0.71 -0.02 -0.70 0.23 0.00 0.00 176.35 175.00 1o6x s GLU 5 N -3.97 2.08 0.11 1.70 2.12 -1.26 -5.15 118.70 114.33 1o6x s GLU 5 Ca 0.15 -1.65 0.03 0.00 0.36 0.00 0.00 54.97 53.86 1o6x s GLU 5 Cb 0.07 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.44 1o6x s GLU 5 CO -0.04 0.23 -0.08 0.95 -0.54 0.00 0.00 175.26 175.79 1o6x s THR 6 N -2.46 0.86 0.12 -1.70 -4.23 -1.26 -5.16 115.64 101.81 1o6x s THR 6 Ca 0.33 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.81 1o6x s THR 6 Cb -0.03 -1.67 0.04 0.00 1.34 0.00 0.00 72.50 72.18 1o6x s THR 6 CO 0.19 -0.79 0.54 0.49 -0.54 0.00 0.00 174.62 174.51 1o6x n PHE 7 N 0.02 -1.12 -3.92 3.99 3.72 -1.26 -5.19 117.46 113.70 1o6x n PHE 7 Ca -0.12 -0.74 -0.09 0.00 -0.05 0.00 0.00 57.45 56.45 1o6x n PHE 7 Cb 0.60 0.36 -0.08 0.00 -0.94 0.00 0.00 39.48 39.43 1o6x n PHE 7 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1o6x s VAL 8 N -2.33 0.13 0.41 -4.37 1.01 -1.26 -5.17 120.40 108.81 1o6x s VAL 8 Ca 0.12 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1o6x s VAL 8 Cb -0.02 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1o6x s VAL 8 CO 0.04 -0.58 0.06 -0.83 0.00 0.00 0.00 175.10 173.79 1o6x s GLY 9 N -2.90 2.53 0.44 4.51 0.00 -1.26 -5.06 107.32 105.58 1o6x s GLY 9 Ca 0.09 -1.44 -0.00 0.00 0.00 0.00 0.00 44.72 43.37 1o6x s GLY 9 CO -0.07 -1.95 0.60 2.09 0.00 0.00 0.00 173.10 173.77 1o6x n ASP 10 N -1.06 0.80 -3.64 1.64 5.68 -1.26 -2.15 116.55 116.55 1o6x n ASP 10 Ca -0.08 -1.67 -0.03 0.00 -0.50 0.00 0.00 54.79 52.51 1o6x n ASP 10 Cb 0.66 -0.39 -0.07 0.00 -1.14 0.00 0.00 41.12 40.18 1o6x n ASP 10 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1o6x s GLN 11 N -4.03 0.32 0.52 0.11 0.74 0.18 -4.59 119.66 112.91 1o6x s GLN 11 Ca 0.40 0.48 -0.00 0.00 0.05 0.00 0.00 55.36 56.29 1o6x s GLN 11 Cb -0.02 0.10 0.02 0.00 1.10 0.00 0.00 33.01 34.21 1o6x s GLN 11 CO 0.26 -0.06 0.76 0.08 -0.55 0.00 0.00 175.29 175.79 1o6x s VAL 12 N 0.87 3.23 -0.14 1.34 1.01 -1.24 0.52 120.40 125.99 1o6x s VAL 12 Ca -0.04 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 1o6x s VAL 12 Cb -0.04 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1o6x s VAL 12 CO -0.12 -0.16 0.54 -1.48 0.00 0.00 0.00 175.10 173.88 1o6x s LEU 13 N -4.73 -0.07 -0.26 3.92 0.05 -1.15 -3.62 118.68 112.83 1o6x s LEU 13 Ca 0.54 0.86 -0.12 0.00 0.05 0.00 0.00 54.13 55.45 1o6x s LEU 13 Cb -0.10 1.93 -0.05 0.00 -2.05 0.00 0.00 46.19 45.93 1o6x s LEU 13 CO 0.39 -0.33 0.25 -1.61 -0.55 0.00 0.00 176.35 174.51 1o6x s GLU 14 N -0.30 4.01 -0.03 1.48 8.01 0.74 -3.58 118.70 129.02 1o6x s GLU 14 Ca -0.05 -0.17 0.01 0.00 0.01 0.00 0.00 54.97 54.78 1o6x s GLU 14 Cb -0.03 -3.63 -0.03 0.00 -4.31 0.00 0.00 34.13 26.13 1o6x s GLU 14 CO 0.03 -0.16 -0.04 0.42 0.01 0.00 0.00 175.26 175.52 1o6x s ILE 15 N 1.70 3.86 -0.43 -1.63 1.01 -0.20 0.12 121.20 125.62 1o6x s ILE 15 Ca 0.10 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1o6x s ILE 15 Cb -0.15 -2.65 0.12 0.00 0.01 0.00 0.00 42.46 39.79 1o6x s ILE 15 CO 0.09 0.49 0.17 -0.69 0.00 0.00 0.00 174.94 175.00 1o6x s VAL 16 N -0.94 2.06 0.48 2.92 1.01 -0.50 -1.24 120.40 124.20 1o6x s VAL 16 Ca 0.16 -2.66 -0.08 0.00 0.00 0.00 0.00 61.98 59.39 1o6x s VAL 16 Cb -0.11 -2.47 0.11 0.00 0.00 0.00 0.00 36.38 33.91 1o6x s VAL 16 CO 0.05 -0.75 0.53 -0.81 0.00 0.00 0.00 175.10 174.12 1o6x n PRO 17 N 3.73 -1.25 0.00 2.72 -0.04 -1.26 -4.44 135.00 134.46 1o6x n PRO 17 Ca 0.05 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1o6x n PRO 17 Cb 0.37 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.59 0.00 -4.71 3.54 2.88 -1.26 -4.11 113.62 106.37 1o6x n SER 18 Ca 0.07 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.31 1o6x n SER 18 Cb 0.25 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.64 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 -0.73 5.15 0.22 -3.46 0.01 -1.26 -4.80 114.94 110.07 1o6x s ASN 19 Ca 0.00 -0.13 -0.06 0.00 -0.71 0.00 0.00 52.86 51.96 1o6x s ASN 19 Cb 0.00 -1.27 0.19 0.00 0.41 0.00 0.00 41.25 40.58 1o6x s ASN 19 CO 0.00 0.18 1.70 -0.33 -1.51 0.00 0.00 177.10 177.14 1o6x h GLU 20 N 3.43 0.97 -0.53 -0.60 5.08 -1.97 -0.94 114.58 120.02 1o6x h GLU 20 Ca -0.47 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 57.61 1o6x h GLU 20 Cb 1.16 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1o6x h GLU 20 CO 0.61 0.94 0.32 1.49 -1.00 0.00 0.00 179.01 181.37 1o6x h GLU 21 N 0.90 0.72 -0.57 2.33 4.57 -1.97 1.46 114.58 122.02 1o6x h GLU 21 Ca 0.17 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 1o6x h GLU 21 Cb 0.49 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1o6x h GLU 21 CO 0.02 0.52 0.04 1.96 -1.18 0.00 0.00 179.01 180.37 1o6x h GLN 22 N 0.71 0.98 -0.11 1.92 7.50 -1.79 -1.75 115.11 122.57 1o6x h GLN 22 Ca 0.19 -0.29 -0.17 0.00 0.50 0.00 0.00 58.65 58.88 1o6x h GLN 22 Cb -0.01 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 1o6x h GLN 22 CO -0.04 0.96 -0.64 0.82 -1.50 0.00 0.00 178.83 178.44 1o6x h ILE 23 N 0.87 1.36 0.00 2.54 2.04 -0.74 -2.55 117.51 121.02 1o6x h ILE 23 Ca 0.17 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 1o6x h ILE 23 Cb 0.49 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1o6x h ILE 23 CO 0.02 0.60 -0.05 0.50 0.00 0.00 0.00 178.15 179.22 1o6x h LYS 24 N 0.29 0.00 0.00 2.37 3.64 0.23 -2.37 116.57 120.74 1o6x h LYS 24 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1o6x h LYS 24 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1o6x h LYS 24 CO 0.11 0.05 -0.00 -0.97 -2.27 0.00 0.00 179.45 176.37 1o6x h ASN 25 N 0.00 -0.00 0.58 4.20 -0.73 -0.89 -2.08 115.58 116.67 1o6x h ASN 25 Ca -0.00 -0.40 -0.02 0.00 1.87 0.00 0.00 56.30 57.75 1o6x h ASN 25 Cb 0.29 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 1o6x h ASN 25 CO 0.01 0.39 -0.49 0.25 -0.37 0.00 0.00 177.43 177.22 1o6x h LEU 26 N -0.40 -1.30 -0.85 0.34 5.85 -1.44 -0.09 115.31 117.42 1o6x h LEU 26 Ca -0.00 0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.98 1o6x h LEU 26 Cb 0.40 0.41 -0.16 0.00 0.37 0.00 0.00 40.66 41.68 1o6x h LEU 26 CO 0.00 -0.68 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.10 1o6x h LEU 27 N -1.04 -0.92 -1.18 2.25 3.38 -1.53 1.55 115.31 117.82 1o6x h LEU 27 Ca -0.07 0.26 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1o6x h LEU 27 Cb 0.88 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 42.14 1o6x h LEU 27 CO -0.01 -0.29 0.58 -0.61 0.09 0.00 0.00 178.44 178.20 1o6x h GLN 28 N -0.02 0.91 0.51 1.13 4.15 -0.82 0.27 115.11 121.25 1o6x h GLN 28 Ca 0.39 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.73 1o6x h GLN 28 Cb 0.62 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 28.11 1o6x h GLN 28 CO -0.88 0.60 -0.25 1.25 -1.93 0.00 0.00 178.83 177.63 1o6x h LEU 29 N 0.94 -0.58 -1.56 -2.39 5.85 0.39 -2.92 115.31 115.04 1o6x h LEU 29 Ca 0.40 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.42 1o6x h LEU 29 Cb 0.32 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1o6x h LEU 29 CO -0.17 -0.31 0.70 -0.08 -0.34 0.00 0.00 178.44 178.25 1o6x h GLU 30 N -0.91 0.27 -0.48 1.25 4.81 -0.14 0.34 114.58 119.72 1o6x h GLU 30 Ca -0.07 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1o6x h GLU 30 Cb 0.53 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 1o6x h GLU 30 CO 0.12 0.18 0.12 0.00 -0.73 0.00 0.00 179.01 178.70 1o6x h ALA 31 N 1.57 0.56 -0.97 2.92 0.00 -0.33 -3.39 119.26 119.62 1o6x h ALA 31 Ca 0.56 0.09 -0.51 0.00 0.00 0.00 0.00 54.91 55.05 1o6x h ALA 31 Cb 1.64 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1o6x h ALA 31 CO -0.20 -0.28 1.64 1.04 0.00 0.00 0.00 179.25 181.45 1o6x n GLN 32 N -5.07 0.70 -0.37 0.00 1.13 0.12 -4.79 117.38 109.10 1o6x n GLN 32 Ca 0.05 0.05 -0.10 0.00 -1.94 0.00 0.00 57.00 55.07 1o6x n GLN 32 Cb 0.22 -2.61 -0.09 0.00 0.11 0.00 0.00 30.24 27.87 1o6x n GLN 32 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1o6x n GLU 33 N 8.69 -0.38 -0.33 -1.09 -0.58 -1.26 0.20 120.64 125.89 1o6x n GLU 33 Ca 0.48 1.34 0.23 0.00 -0.42 0.00 0.00 57.16 58.79 1o6x n GLU 33 Cb 0.31 -1.98 0.45 0.00 -0.57 0.00 0.00 31.44 29.65 1o6x n GLU 33 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1o6x h HIS 34 N 0.00 0.48 -1.83 -0.32 3.86 -1.93 1.48 115.15 116.90 1o6x h HIS 34 Ca 0.14 0.05 -0.75 0.00 -1.16 0.00 0.00 60.37 58.65 1o6x h HIS 34 Cb 0.36 -0.05 -0.28 0.00 1.06 0.00 0.00 27.41 28.50 1o6x h HIS 34 CO -0.92 -0.41 1.00 1.28 0.86 0.00 0.00 177.93 179.73 1o6x n LEU 35 N -5.32 7.51 -3.36 2.43 4.77 0.53 -4.87 117.00 118.69 1o6x n LEU 35 Ca 0.31 -4.76 -0.30 0.00 -0.03 0.00 0.00 56.01 51.23 1o6x n LEU 35 Cb 1.02 -1.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1o6x n LEU 35 CO -0.01 1.72 1.92 0.00 -1.33 0.00 0.00 177.39 179.69 1o6x n GLN 36 N -0.60 1.21 -1.53 3.23 6.02 0.50 -4.26 117.38 121.96 1o6x n GLN 36 Ca 0.55 -1.37 -0.30 0.00 -0.01 0.00 0.00 57.00 55.87 1o6x n GLN 36 Cb 0.31 -2.56 0.10 0.00 1.02 0.00 0.00 30.24 29.11 1o6x n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1o6x s LEU 37 N 0.46 2.50 -0.16 1.08 1.43 -1.26 -5.06 118.68 117.66 1o6x s LEU 37 Ca 0.44 1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1o6x s LEU 37 Cb 0.11 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.54 1o6x s LEU 37 CO 0.09 -2.09 -0.03 -0.62 0.23 0.00 0.00 176.35 173.92 1o6x s ASP 38 N -3.89 2.77 -0.12 2.29 2.15 -1.26 -4.92 116.67 113.69 1o6x s ASP 38 Ca 0.61 -0.66 -0.24 0.00 0.43 0.00 0.00 52.55 52.70 1o6x s ASP 38 Cb -0.15 -0.83 -0.03 0.00 -0.30 0.00 0.00 42.92 41.62 1o6x s ASP 38 CO 0.54 -0.21 0.74 -0.36 -0.17 0.00 0.00 175.17 175.71 1o6x s PHE 39 N 1.69 3.50 0.00 -5.34 0.08 -1.26 -4.23 117.98 112.43 1o6x s PHE 39 Ca 0.01 1.22 -0.02 0.00 0.12 0.00 0.00 56.93 58.25 1o6x s PHE 39 Cb -0.15 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.40 1o6x s PHE 39 CO -0.07 -0.06 0.97 -1.49 -0.10 0.00 0.00 175.22 174.47 1o6x h TRP 40 N 7.05 -0.08 -3.47 0.36 4.06 -1.88 -3.39 115.95 118.61 1o6x h TRP 40 Ca -0.36 -0.00 -0.65 0.00 2.06 0.00 0.00 58.89 59.94 1o6x h TRP 40 Cb 1.17 0.03 -0.15 0.00 -1.00 0.00 0.00 29.16 29.20 1o6x h TRP 40 CO 0.68 -0.05 0.19 0.21 -3.56 0.00 0.00 178.44 175.92 1o6x s LYS 41 N -3.06 3.27 -0.99 0.49 2.20 -1.26 -4.95 119.74 115.45 1o6x s LYS 41 Ca -0.01 -0.44 -0.31 0.00 -0.36 0.00 0.00 55.97 54.85 1o6x s LYS 41 Cb 0.00 -3.99 -0.22 0.00 -1.51 0.00 0.00 37.83 32.11 1o6x s LYS 41 CO 0.04 -1.13 2.67 -1.13 -0.36 0.00 0.00 175.35 175.43 1o6x n SER 42 N 6.45 0.29 0.00 1.43 3.41 -1.26 -4.48 113.62 119.46 1o6x n SER 42 Ca -0.02 0.18 0.09 0.00 -0.26 0.00 0.00 58.87 58.86 1o6x n SER 42 Cb 0.47 -0.91 0.52 0.00 -0.26 0.00 0.00 64.21 64.03 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 8.40 0.75 -0.28 4.33 -0.04 -1.26 -3.99 135.00 142.92 1o6x n PRO 43 Ca 0.65 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 64.33 1o6x n PRO 43 Cb 0.03 -1.36 0.41 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.86 -0.36 -4.37 0.52 -1.04 -1.26 -4.30 114.28 102.60 1o6x n THR 44 Ca 0.13 1.78 -0.26 0.00 -2.04 0.00 0.00 64.05 63.66 1o6x n THR 44 Cb 0.06 -2.78 -0.10 0.00 -1.82 0.00 0.00 70.33 65.69 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 -5.48 2.77 0.91 12.58 -4.23 -1.26 -4.91 115.64 116.03 1o6x s THR 45 Ca -0.09 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 1o6x s THR 45 Cb 0.28 -2.38 0.14 0.00 1.34 0.00 0.00 72.50 71.87 1o6x s THR 45 CO 0.66 -0.19 1.14 -2.16 -0.54 0.00 0.00 174.62 173.53 1o6x s PRO 46 N -2.97 1.17 0.00 3.99 0.04 -1.26 -3.91 135.00 132.05 1o6x s PRO 46 Ca 0.25 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1o6x s PRO 46 Cb -0.08 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1o6x s PRO 46 CO 0.14 -2.18 0.00 0.41 0.04 0.00 0.00 177.00 175.40 1o6x n GLY 47 N -2.20 2.82 3.42 0.56 0.00 -1.26 -4.95 105.19 103.58 1o6x n GLY 47 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1o6x n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o6x s GLU 48 N -0.07 2.94 0.43 1.61 -1.05 -1.25 -5.01 118.70 116.30 1o6x s GLU 48 Ca 0.00 -1.18 -0.26 0.00 -0.15 0.00 0.00 54.97 53.38 1o6x s GLU 48 Cb 0.00 -4.01 -0.09 0.00 -0.44 0.00 0.00 34.13 29.59 1o6x s GLU 48 CO 0.00 -0.87 1.46 0.95 0.95 0.00 0.00 175.26 177.76 1o6x s THR 49 N 1.64 2.00 0.10 1.83 -4.23 -1.26 -4.65 115.64 111.07 1o6x s THR 49 Ca 0.04 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1o6x s THR 49 Cb -0.21 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1o6x s THR 49 CO 0.08 0.00 0.16 0.00 -0.54 0.00 0.00 174.62 174.32 1o6x s ALA 50 N -1.17 3.76 -0.35 3.99 0.00 -0.37 -4.49 121.76 123.14 1o6x s ALA 50 Ca 0.58 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1o6x s ALA 50 Cb -0.45 -1.60 0.15 0.00 0.00 0.00 0.00 23.12 21.22 1o6x s ALA 50 CO 0.60 0.71 0.34 -1.01 0.00 0.00 0.00 175.76 176.39 1o6x s HIS 51 N -1.53 -0.25 0.00 0.00 3.76 -1.25 -1.04 115.29 114.98 1o6x s HIS 51 Ca 0.32 -0.72 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 1o6x s HIS 51 Cb -0.12 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.07 1o6x s HIS 51 CO 0.25 -0.94 -0.06 0.54 -0.85 0.00 0.00 174.74 173.68 1o6x s VAL 52 N 1.66 3.71 -1.13 -0.90 0.11 -1.23 -2.53 120.40 120.09 1o6x s VAL 52 Ca 0.15 -0.75 -0.18 0.00 -2.93 0.00 0.00 61.98 58.28 1o6x s VAL 52 Cb -0.16 -2.62 0.12 0.00 -1.53 0.00 0.00 36.38 32.19 1o6x s VAL 52 CO -0.11 0.40 1.43 -0.13 -3.33 0.00 0.00 175.10 173.35 1o6x s ARG 53 N -1.42 3.86 0.26 1.54 0.52 -1.26 -2.91 118.95 119.53 1o6x s ARG 53 Ca 0.17 -1.98 -0.24 0.00 -0.52 0.00 0.00 55.73 53.16 1o6x s ARG 53 Cb -0.11 -5.19 -0.09 0.00 0.52 0.00 0.00 34.95 30.08 1o6x s ARG 53 CO 0.08 -1.96 0.85 0.54 0.02 0.00 0.00 175.30 174.82 1o6x s VAL 54 N 3.07 4.34 0.17 3.52 0.11 0.19 -4.64 120.40 127.16 1o6x s VAL 54 Ca 0.43 1.66 -0.30 0.00 -2.93 0.00 0.00 61.98 60.84 1o6x s VAL 54 Cb -0.01 -4.01 -0.08 0.00 -1.53 0.00 0.00 36.38 30.75 1o6x s VAL 54 CO -0.02 0.26 1.12 -2.16 -3.33 0.00 0.00 175.10 170.97 1o6x s PRO 55 N -1.79 4.56 0.34 1.54 0.04 -1.26 0.52 135.00 138.94 1o6x s PRO 55 Ca 0.45 1.75 0.11 0.00 0.04 0.00 0.00 61.00 63.34 1o6x s PRO 55 Cb -0.19 -3.28 0.92 0.00 0.04 0.00 0.00 34.50 31.99 1o6x s PRO 55 CO 0.24 0.03 1.75 0.35 0.04 0.00 0.00 177.00 179.40 1o6x h PHE 56 N 5.24 0.93 0.00 0.56 3.57 -1.68 2.20 116.94 127.76 1o6x h PHE 56 Ca -0.44 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 1o6x h PHE 56 Cb 1.21 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1o6x h PHE 56 CO 0.63 0.09 -0.01 -0.24 -2.23 0.00 0.00 178.31 176.55 1o6x h VAL 57 N 0.56 0.04 -0.09 1.41 3.04 -1.92 -1.22 116.25 118.08 1o6x h VAL 57 Ca 0.62 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.98 1o6x h VAL 57 Cb 1.25 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1o6x h VAL 57 CO -0.42 0.01 0.00 -3.20 -1.01 0.00 0.00 177.57 172.95 1o6x n ASN 58 N -3.12 2.34 0.10 3.17 2.85 0.62 -4.55 115.26 116.68 1o6x n ASN 58 Ca -0.01 -2.17 -0.03 0.00 -0.11 0.00 0.00 54.58 52.26 1o6x n ASN 58 Cb 0.22 -0.13 0.05 0.00 1.24 0.00 0.00 39.78 41.16 1o6x n ASN 58 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1o6x h VAL 59 N 0.56 1.53 0.22 3.44 2.07 0.34 -2.63 116.25 121.77 1o6x h VAL 59 Ca 0.00 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 64.84 1o6x h VAL 59 Cb 0.65 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1o6x h VAL 59 CO 0.01 0.76 -0.11 -0.61 0.02 0.00 0.00 177.57 177.64 1o6x h GLN 60 N 0.00 -0.28 -1.10 1.57 5.75 -1.80 0.35 115.11 119.59 1o6x h GLN 60 Ca -0.01 0.02 0.31 0.00 -0.15 0.00 0.00 58.65 58.82 1o6x h GLN 60 Cb 1.39 0.06 -0.10 0.00 1.07 0.00 0.00 27.48 29.90 1o6x h GLN 60 CO 0.10 -0.19 0.71 0.00 -2.65 0.00 0.00 178.83 176.80 1o6x h ALA 61 N -1.50 2.38 -0.04 3.38 0.00 -1.85 0.98 119.26 122.62 1o6x h ALA 61 Ca -0.03 0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1o6x h ALA 61 Cb 0.23 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1o6x h ALA 61 CO 0.05 -0.83 -0.94 0.28 0.00 0.00 0.00 179.25 177.82 1o6x h VAL 62 N 0.31 1.29 -0.16 0.00 2.07 -1.50 -1.72 116.25 116.55 1o6x h VAL 62 Ca 0.64 -2.16 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1o6x h VAL 62 Cb 1.77 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.84 1o6x h VAL 62 CO -0.31 0.67 0.06 0.50 0.02 0.00 0.00 177.57 178.51 1o6x h LYS 63 N 0.38 0.22 0.05 1.57 3.64 0.50 -0.70 116.57 122.22 1o6x h LYS 63 Ca -0.11 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 58.99 1o6x h LYS 63 Cb 1.59 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.38 1o6x h LYS 63 CO 0.19 0.19 -1.09 0.28 -2.27 0.00 0.00 179.45 176.75 1o6x h VAL 64 N 0.22 1.36 -0.71 2.00 2.07 -0.10 -2.97 116.25 118.12 1o6x h VAL 64 Ca 0.06 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1o6x h VAL 64 Cb 0.05 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1o6x h VAL 64 CO -0.01 0.75 0.45 0.15 0.02 0.00 0.00 177.57 178.93 1o6x h PHE 65 N 0.25 0.91 0.77 1.57 3.57 -0.27 0.36 116.94 124.11 1o6x h PHE 65 Ca -0.13 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 1o6x h PHE 65 Cb 1.75 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 40.19 1o6x h PHE 65 CO 0.08 0.60 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.32 1o6x h LEU 66 N 0.96 -0.87 -1.89 0.59 3.38 -1.22 0.96 115.31 117.22 1o6x h LEU 66 Ca 0.26 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.41 1o6x h LEU 66 Cb -0.07 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1o6x h LEU 66 CO -0.05 -0.61 0.42 -0.33 0.09 0.00 0.00 178.44 177.96 1o6x h GLU 67 N -1.07 0.11 -0.06 1.13 4.39 -1.44 0.17 114.58 117.82 1o6x h GLU 67 Ca -0.11 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.35 1o6x h GLU 67 Cb 0.79 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1o6x h GLU 67 CO 0.17 0.07 -0.90 0.66 -1.16 0.00 0.00 179.01 177.86 1o6x h SER 68 N 0.12 0.79 -0.30 1.42 4.64 0.16 -3.06 113.55 117.31 1o6x h SER 68 Ca 0.28 -0.58 -0.14 0.00 -0.47 0.00 0.00 61.79 60.88 1o6x h SER 68 Cb 0.96 -0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 62.73 1o6x h SER 68 CO -0.03 1.37 0.18 0.00 -0.87 0.00 0.00 176.83 177.48 1o6x n GLN 69 N -3.85 1.52 -4.00 4.77 10.64 0.33 -4.86 117.38 121.93 1o6x n GLN 69 Ca -0.08 -0.97 -0.32 0.00 -1.83 0.00 0.00 57.00 53.80 1o6x n GLN 69 Cb 0.81 -1.43 -0.03 0.00 -0.86 0.00 0.00 30.24 28.73 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 0.01 -0.39 3.73 2.61 0.00 -0.88 -4.72 105.19 105.54 1o6x n GLY 70 Ca 0.18 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.97 1.39 -0.05 -0.61 2.07 -0.58 -4.97 121.20 114.49 1o6x s ILE 71 Ca 0.21 -1.98 -0.01 0.00 -1.41 0.00 0.00 60.65 57.46 1o6x s ILE 71 Cb -0.11 -2.37 0.03 0.00 0.13 0.00 0.00 42.46 40.13 1o6x s ILE 71 CO 0.80 0.00 0.02 0.00 -1.91 0.00 0.00 174.94 173.85 1o6x s ALA 72 N -2.83 0.42 0.00 1.50 0.00 -1.26 -4.49 121.76 115.09 1o6x s ALA 72 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1o6x s ALA 72 Cb 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1o6x s ALA 72 CO 0.07 -0.30 0.00 2.48 0.00 0.00 0.00 175.76 178.01 1o6x n TYR 73 N 4.75 0.00 -3.69 0.00 4.11 -1.26 -1.41 117.16 119.67 1o6x n TYR 73 Ca -0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.66 1o6x n TYR 73 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.82 1o6x n TYR 73 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1o6x s SER 74 N -0.92 -0.36 -0.32 9.48 0.15 0.32 -4.92 113.70 117.14 1o6x s SER 74 Ca 0.00 -0.38 -0.13 0.00 0.70 0.00 0.00 55.95 56.14 1o6x s SER 74 Cb 0.00 0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 64.93 1o6x s SER 74 CO 0.00 -1.15 0.24 -0.63 1.20 0.00 0.00 173.24 172.91 1o6x s ILE 75 N -3.85 5.28 -0.14 6.45 1.09 -1.26 -0.19 121.20 128.57 1o6x s ILE 75 Ca 0.07 -0.01 -0.12 0.00 -1.10 0.00 0.00 60.65 59.49 1o6x s ILE 75 Cb -0.03 -3.66 -0.10 0.00 -1.06 0.00 0.00 42.46 37.61 1o6x s ILE 75 CO -0.02 0.08 0.16 -0.03 -0.10 0.00 0.00 174.94 175.03 1o6x h MET 76 N 8.43 0.00 -3.58 2.79 4.05 -1.90 -3.47 114.93 121.24 1o6x h MET 76 Ca -0.32 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 58.85 1o6x h MET 76 Cb 1.17 0.00 -0.30 0.00 -0.80 0.00 0.00 31.60 31.67 1o6x h MET 76 CO 0.61 0.39 -0.69 -1.50 0.23 0.00 0.00 176.91 175.95 1o6x s ILE 77 N -2.02 -0.02 0.00 1.77 1.10 -1.26 -5.06 121.20 115.70 1o6x s ILE 77 Ca -0.13 0.09 0.00 0.00 -0.51 0.00 0.00 60.65 60.10 1o6x s ILE 77 Cb 0.01 -0.08 0.00 0.00 0.15 0.00 0.00 42.46 42.54 1o6x s ILE 77 CO 0.31 0.04 0.00 -1.84 -2.11 0.00 0.00 174.94 171.33 1o6x n GLU 78 N 3.54 3.36 -2.59 3.50 0.28 -1.26 -3.69 120.64 123.79 1o6x n GLU 78 Ca -0.19 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.38 1o6x n GLU 78 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1o6x n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1o6x n ASP 79 N 0.00 5.09 -4.34 -1.84 8.00 -1.26 -4.85 116.55 117.35 1o6x n ASP 79 Ca 0.00 -3.03 -0.53 0.00 0.71 0.00 0.00 54.79 51.93 1o6x n ASP 79 Cb 0.00 -1.54 -0.13 0.00 -0.02 0.00 0.00 41.12 39.43 1o6x n ASP 79 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1o6x n VAL 80 N 4.10 0.00 0.42 2.53 3.14 -1.26 -5.20 118.33 122.06 1o6x n VAL 80 Ca 0.39 -0.01 0.03 0.00 -2.96 0.00 0.00 64.34 61.80 1o6x n VAL 80 Cb 0.40 -0.54 0.20 0.00 -1.06 0.00 0.00 33.84 32.84 1o6x n VAL 80 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04