#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 0.14 0.00 0.03 3.52 -1.26 -5.16 118.95 116.22 1o6x s ARG 2 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 1o6x s ARG 2 Cb 0.00 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 1o6x s ARG 2 CO 0.00 -0.02 0.00 -1.13 -0.81 0.00 0.00 175.30 173.34 1o6x n SER 3 N 2.43 0.00 -4.17 -2.12 3.41 -1.26 -5.14 113.62 106.77 1o6x n SER 3 Ca -0.17 -0.29 -0.12 0.00 -0.26 0.00 0.00 58.87 58.03 1o6x n SER 3 Cb 0.58 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 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 1.09 0.52 1.04 1.02 -1.26 -5.18 118.68 115.91 1o6x s LEU 4 Ca 0.00 -1.36 0.06 0.00 0.02 0.00 0.00 54.13 52.85 1o6x s LEU 4 Cb 0.00 0.50 0.03 0.00 0.02 0.00 0.00 46.19 46.73 1o6x s LEU 4 CO 0.00 -0.87 0.39 -0.70 0.02 0.00 0.00 176.35 175.19 1o6x s GLU 5 N -4.14 2.29 0.29 1.70 2.12 -1.26 -5.15 118.70 114.55 1o6x s GLU 5 Ca 0.38 -1.94 -0.17 0.00 0.36 0.00 0.00 54.97 53.60 1o6x s GLU 5 Cb 0.06 -2.13 0.02 0.00 0.26 0.00 0.00 34.13 32.34 1o6x s GLU 5 CO 0.12 -0.53 0.65 0.99 -0.54 0.00 0.00 175.26 175.95 1o6x s THR 6 N -2.72 0.00 -0.23 -1.70 2.01 -1.26 -5.18 115.64 106.55 1o6x s THR 6 Ca 0.37 -1.15 -0.32 0.00 0.31 0.00 0.00 61.69 60.90 1o6x s THR 6 Cb -0.02 -2.20 0.16 0.00 0.01 0.00 0.00 72.50 70.45 1o6x s THR 6 CO 0.22 0.00 1.24 0.72 -0.69 0.00 0.00 174.62 176.12 1o6x s PHE 7 N -3.70 -0.13 0.20 4.92 -0.12 -1.26 -5.19 117.98 112.71 1o6x s PHE 7 Ca 0.16 0.17 -0.09 0.00 -0.05 0.00 0.00 56.93 57.12 1o6x s PHE 7 Cb -0.04 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 1o6x s PHE 7 CO 0.09 -0.15 0.34 0.08 -0.05 0.00 0.00 175.22 175.53 1o6x s VAL 8 N -1.55 0.03 0.37 -2.49 1.01 -1.26 -5.17 120.40 111.35 1o6x s VAL 8 Ca 0.07 -1.49 0.05 0.00 0.00 0.00 0.00 61.98 60.61 1o6x s VAL 8 Cb -0.01 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1o6x s VAL 8 CO -0.05 -0.12 0.19 -0.83 0.00 0.00 0.00 175.10 174.29 1o6x s GLY 9 N -3.02 2.49 0.44 4.51 0.00 -1.26 -5.08 107.32 105.40 1o6x s GLY 9 Ca 0.23 -1.57 -0.00 0.00 0.00 0.00 0.00 44.72 43.37 1o6x s GLY 9 CO 0.06 -1.67 0.61 2.09 0.00 0.00 0.00 173.10 174.18 1o6x n ASP 10 N -1.41 0.79 -3.62 1.64 5.68 -1.26 -2.22 116.55 116.15 1o6x n ASP 10 Ca -0.00 -1.68 -0.01 0.00 -0.50 0.00 0.00 54.79 52.60 1o6x n ASP 10 Cb 0.64 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 40.16 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 -4.04 0.30 0.65 0.11 0.74 0.16 -4.60 119.66 112.97 1o6x s GLN 11 Ca 0.40 0.53 -0.05 0.00 0.05 0.00 0.00 55.36 56.29 1o6x s GLN 11 Cb -0.02 0.09 0.04 0.00 1.10 0.00 0.00 33.01 34.22 1o6x s GLN 11 CO 0.27 -0.07 0.94 0.08 -0.55 0.00 0.00 175.29 175.96 1o6x s VAL 12 N 1.37 2.70 -0.11 1.34 1.01 -1.24 -0.37 120.40 125.09 1o6x s VAL 12 Ca -0.08 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 1o6x s VAL 12 Cb -0.03 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.28 1o6x s VAL 12 CO -0.14 -0.11 0.54 -1.48 0.00 0.00 0.00 175.10 173.90 1o6x s LEU 13 N -5.09 -0.06 -0.27 3.92 0.05 -1.14 -3.22 118.68 112.87 1o6x s LEU 13 Ca 0.58 0.74 -0.12 0.00 0.05 0.00 0.00 54.13 55.38 1o6x s LEU 13 Cb -0.11 1.96 -0.05 0.00 -2.05 0.00 0.00 46.19 45.95 1o6x s LEU 13 CO 0.44 -0.39 0.24 -1.61 -0.55 0.00 0.00 176.35 174.48 1o6x s GLU 14 N -0.57 4.00 -0.03 1.48 2.02 0.14 -3.59 118.70 122.15 1o6x s GLU 14 Ca -0.07 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.76 1o6x s GLU 14 Cb -0.03 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.54 1o6x s GLU 14 CO 0.05 -0.16 -0.08 0.42 0.02 0.00 0.00 175.26 175.51 1o6x s ILE 15 N 1.69 3.59 -0.43 -1.63 1.01 -0.44 0.13 121.20 125.12 1o6x s ILE 15 Ca 0.10 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1o6x s ILE 15 Cb -0.15 -2.51 0.14 0.00 0.01 0.00 0.00 42.46 39.95 1o6x s ILE 15 CO 0.09 0.49 0.24 -0.69 0.00 0.00 0.00 174.94 175.07 1o6x s VAL 16 N -0.89 1.26 0.72 2.92 1.01 -0.45 -1.06 120.40 123.91 1o6x s VAL 16 Ca 0.15 -2.46 -0.12 0.00 0.00 0.00 0.00 61.98 59.54 1o6x s VAL 16 Cb -0.11 -1.89 0.17 0.00 0.00 0.00 0.00 36.38 34.56 1o6x s VAL 16 CO 0.04 -0.91 0.79 -0.81 0.00 0.00 0.00 175.10 174.22 1o6x n PRO 17 N 3.60 -1.63 0.00 2.72 -0.04 -1.26 -4.37 135.00 134.01 1o6x n PRO 17 Ca 0.09 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1o6x n PRO 17 Cb 0.35 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -3.89 0.00 -4.69 3.54 2.88 -1.26 -3.89 113.62 106.31 1o6x n SER 18 Ca 0.10 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.33 1o6x n SER 18 Cb 0.38 0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.29 5.08 0.23 -3.46 0.01 -1.26 -4.68 114.94 109.57 1o6x s ASN 19 Ca 0.00 -0.09 -0.08 0.00 -0.71 0.00 0.00 52.86 51.98 1o6x s ASN 19 Cb 0.00 -1.27 0.39 0.00 0.41 0.00 0.00 41.25 40.78 1o6x s ASN 19 CO 0.00 0.23 1.66 -0.33 -1.51 0.00 0.00 177.10 177.15 1o6x h GLU 20 N 3.89 0.15 -0.96 -0.60 3.07 -1.99 0.28 114.58 118.42 1o6x h GLU 20 Ca -0.48 -0.01 0.19 0.00 -0.50 0.00 0.00 59.36 58.56 1o6x h GLU 20 Cb 1.17 -0.03 -0.18 0.00 -0.84 0.00 0.00 28.75 28.86 1o6x h GLU 20 CO 0.59 0.10 -0.24 1.49 -1.40 0.00 0.00 179.01 179.55 1o6x h GLU 21 N 0.16 0.00 -0.95 2.33 4.81 -1.96 1.77 114.58 120.74 1o6x h GLU 21 Ca 0.38 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.67 1o6x h GLU 21 Cb 0.64 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 1o6x h GLU 21 CO -0.56 0.00 0.60 1.96 -0.73 0.00 0.00 179.01 180.28 1o6x h GLN 22 N 0.00 1.07 -0.11 1.92 7.50 -1.24 0.25 115.11 124.50 1o6x h GLN 22 Ca 0.46 -0.06 -0.08 0.00 0.50 0.00 0.00 58.65 59.46 1o6x h GLN 22 Cb 0.70 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 27.99 1o6x h GLN 22 CO -0.98 0.71 -0.25 0.82 -1.50 0.00 0.00 178.83 177.63 1o6x h ILE 23 N 1.11 1.39 0.00 2.54 5.03 0.22 -2.43 117.51 125.35 1o6x h ILE 23 Ca 0.41 -1.54 0.00 0.00 -0.12 0.00 0.00 64.86 63.61 1o6x h ILE 23 Cb 0.16 2.11 0.00 0.00 -3.03 0.00 0.00 36.82 36.05 1o6x h ILE 23 CO -0.17 0.45 0.00 0.50 -0.68 0.00 0.00 178.15 178.25 1o6x h LYS 24 N -0.07 0.00 0.23 2.37 3.64 0.24 0.11 116.57 123.09 1o6x h LYS 24 Ca 0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 1o6x h LYS 24 Cb 0.84 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1o6x h LYS 24 CO 0.05 0.00 -1.50 -0.91 -2.27 0.00 0.00 179.45 174.83 1o6x h ASN 25 N 0.00 0.76 -0.22 4.20 2.35 -0.19 -2.57 115.58 119.91 1o6x h ASN 25 Ca 0.00 -0.86 -0.12 0.00 -0.55 0.00 0.00 56.30 54.78 1o6x h ASN 25 Cb 0.06 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1o6x h ASN 25 CO 0.00 1.68 -0.31 -0.07 -1.65 0.00 0.00 177.43 177.07 1o6x h LEU 26 N 0.13 0.66 0.17 1.61 3.38 -0.53 -1.81 115.31 118.92 1o6x h LEU 26 Ca -0.26 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1o6x h LEU 26 Cb 2.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1o6x h LEU 26 CO 0.25 1.04 -0.16 -0.07 0.09 0.00 0.00 178.44 179.60 1o6x h LEU 27 N 0.30 -0.43 -1.48 1.67 3.38 -0.99 0.21 115.31 117.97 1o6x h LEU 27 Ca 0.02 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1o6x h LEU 27 Cb 0.89 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1o6x h LEU 27 CO 0.07 -0.25 0.46 -0.61 0.09 0.00 0.00 178.44 178.21 1o6x h GLN 28 N -0.36 0.57 0.47 1.13 -0.00 -1.46 0.87 115.11 116.33 1o6x h GLN 28 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1o6x h GLN 28 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.69 1o6x h GLN 28 CO -0.04 0.38 -0.22 1.25 0.00 0.00 0.00 178.83 180.19 1o6x h LEU 29 N 0.59 -0.53 -1.89 -2.39 5.85 -0.38 -2.72 115.31 113.82 1o6x h LEU 29 Ca 0.32 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.28 1o6x h LEU 29 Cb 0.48 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1o6x h LEU 29 CO -0.11 -0.27 0.66 -0.08 -0.34 0.00 0.00 178.44 178.30 1o6x h GLU 30 N -0.84 0.00 -0.35 1.25 4.81 -0.30 0.45 114.58 119.61 1o6x h GLU 30 Ca -0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1o6x h GLU 30 Cb 0.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1o6x h GLU 30 CO 0.11 0.00 0.15 0.00 -0.73 0.00 0.00 179.01 178.54 1o6x h ALA 31 N 1.40 0.45 -0.82 2.92 0.00 -0.63 -3.38 119.26 119.19 1o6x h ALA 31 Ca 0.36 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.60 1o6x h ALA 31 Cb 1.67 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1o6x h ALA 31 CO -0.00 0.03 1.60 1.04 0.00 0.00 0.00 179.25 181.92 1o6x n GLN 32 N -4.71 0.64 -0.36 0.00 1.13 0.16 -4.77 117.38 109.46 1o6x n GLN 32 Ca -0.01 0.08 -0.01 0.00 -1.94 0.00 0.00 57.00 55.12 1o6x n GLN 32 Cb 0.13 -2.39 0.04 0.00 0.11 0.00 0.00 30.24 28.12 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 8.53 -0.22 -0.25 -1.09 1.02 -1.26 0.20 120.64 127.57 1o6x n GLU 33 Ca 0.49 1.43 0.01 0.00 -0.02 0.00 0.00 57.16 59.07 1o6x n GLU 33 Cb 0.25 -2.12 0.14 0.00 -0.02 0.00 0.00 31.44 29.69 1o6x n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1o6x h HIS 34 N 0.00 0.65 -1.10 -0.32 3.86 -1.94 -0.30 115.15 116.00 1o6x h HIS 34 Ca 0.32 0.03 -0.55 0.00 -1.16 0.00 0.00 60.37 59.01 1o6x h HIS 34 Cb 0.55 -0.18 -0.21 0.00 1.06 0.00 0.00 27.41 28.63 1o6x h HIS 34 CO -0.81 0.24 0.63 1.28 0.86 0.00 0.00 177.93 180.12 1o6x n LEU 35 N -4.86 6.93 -3.35 2.43 4.77 0.53 -4.83 117.00 118.63 1o6x n LEU 35 Ca 0.11 -4.08 -0.29 0.00 -0.03 0.00 0.00 56.01 51.72 1o6x n LEU 35 Cb 0.27 -1.11 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 1o6x n LEU 35 CO 0.25 1.56 1.91 1.67 -1.33 0.00 0.00 177.39 181.45 1o6x n GLN 36 N 0.10 1.22 -1.41 3.23 0.00 -0.13 -4.04 117.38 116.36 1o6x n GLN 36 Ca 0.48 -1.37 -0.30 0.00 -0.00 0.00 0.00 57.00 55.82 1o6x n GLN 36 Cb 0.51 -2.55 0.11 0.00 0.00 0.00 0.00 30.24 28.32 1o6x n GLN 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1o6x s LEU 37 N 0.44 2.45 -0.16 1.69 1.43 -1.26 -5.06 118.68 118.21 1o6x s LEU 37 Ca 0.44 1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 54.88 1o6x s LEU 37 Cb 0.11 -3.90 0.05 0.00 0.03 0.00 0.00 46.19 42.48 1o6x s LEU 37 CO 0.08 -2.26 0.04 -0.62 0.23 0.00 0.00 176.35 173.82 1o6x s ASP 38 N -3.71 2.47 -0.24 2.29 2.15 -1.26 -4.85 116.67 113.52 1o6x s ASP 38 Ca 0.62 -0.60 -0.21 0.00 0.43 0.00 0.00 52.55 52.79 1o6x s ASP 38 Cb -0.16 -0.49 -0.02 0.00 -0.30 0.00 0.00 42.92 41.96 1o6x s ASP 38 CO 0.55 -0.29 0.67 -0.36 -0.17 0.00 0.00 175.17 175.58 1o6x s PHE 39 N 1.94 3.31 0.15 -5.34 0.08 -1.26 -4.21 117.98 112.65 1o6x s PHE 39 Ca 0.01 0.91 -0.17 0.00 0.12 0.00 0.00 56.93 57.80 1o6x s PHE 39 Cb -0.16 -2.88 0.05 0.00 -0.57 0.00 0.00 43.02 39.46 1o6x s PHE 39 CO -0.07 -0.31 1.73 -1.49 -0.10 0.00 0.00 175.22 174.97 1o6x h TRP 40 N 7.77 0.08 -3.26 0.36 6.55 -1.94 -3.32 115.95 122.18 1o6x h TRP 40 Ca -0.27 0.02 -0.73 0.00 0.95 0.00 0.00 58.89 58.86 1o6x h TRP 40 Cb 1.12 0.01 -0.28 0.00 -0.86 0.00 0.00 29.16 29.15 1o6x h TRP 40 CO 0.75 0.00 -0.36 0.15 -1.05 0.00 0.00 178.44 177.93 1o6x s LYS 41 N -6.17 2.57 -0.89 0.49 1.02 -1.26 -5.00 119.74 110.50 1o6x s LYS 41 Ca -0.13 -1.77 -0.25 0.00 0.02 0.00 0.00 55.97 53.84 1o6x s LYS 41 Cb 0.12 -4.00 -0.21 0.00 -0.52 0.00 0.00 37.83 33.22 1o6x s LYS 41 CO 0.70 -1.22 2.33 -1.13 -0.92 0.00 0.00 175.35 175.12 1o6x n SER 42 N 4.96 0.05 -2.55 2.83 3.41 -1.25 -4.67 113.62 116.40 1o6x n SER 42 Ca -0.09 0.07 -0.17 0.00 -0.26 0.00 0.00 58.87 58.43 1o6x n SER 42 Cb 0.41 -0.77 -0.09 0.00 -0.26 0.00 0.00 64.21 63.50 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 7.20 2.00 0.10 4.33 -0.04 -1.26 -4.32 135.00 143.00 1o6x n PRO 43 Ca 0.59 -1.15 -0.04 0.00 -0.04 0.00 0.00 63.50 62.86 1o6x n PRO 43 Cb 0.04 -2.15 0.04 0.00 -0.04 0.00 0.00 33.50 31.39 1o6x n PRO 43 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1o6x h THR 44 N 2.63 1.54 -4.03 0.52 2.02 -1.93 -3.44 112.91 110.22 1o6x h THR 44 Ca 0.34 -2.63 -0.22 0.00 0.77 0.00 0.00 66.41 64.67 1o6x h THR 44 Cb 0.79 2.42 -0.15 0.00 -1.74 0.00 0.00 68.15 69.47 1o6x h THR 44 CO 0.79 0.75 -0.67 0.42 0.37 0.00 0.00 175.52 177.19 1o6x s THR 45 N -3.26 0.45 0.94 3.16 -4.23 -1.26 -4.93 115.64 106.51 1o6x s THR 45 Ca -0.01 -1.93 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 1o6x s THR 45 Cb 0.11 -1.93 0.23 0.00 1.34 0.00 0.00 72.50 72.25 1o6x s THR 45 CO 0.79 -0.63 1.04 -0.81 -0.54 0.00 0.00 174.62 174.47 1o6x n PRO 46 N -0.11 -1.95 0.00 3.99 -0.04 -1.26 -4.15 135.00 131.48 1o6x n PRO 46 Ca -0.08 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1o6x n PRO 46 Cb 0.63 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1o6x n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1o6x n GLY 47 N -3.04 1.69 3.44 0.55 0.00 -1.25 -4.90 105.19 101.68 1o6x n GLY 47 Ca 0.14 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.13 0.73 1.61 -1.05 -1.26 -4.99 118.70 116.86 1o6x s GLU 48 Ca 0.00 -0.91 -0.16 0.00 -0.15 0.00 0.00 54.97 53.76 1o6x s GLU 48 Cb 0.00 -4.16 0.01 0.00 -0.44 0.00 0.00 34.13 29.54 1o6x s GLU 48 CO 0.00 -1.46 0.97 0.25 0.95 0.00 0.00 175.26 175.97 1o6x n THR 49 N 5.74 2.74 -4.28 1.83 -2.24 -1.26 -4.81 114.28 112.00 1o6x n THR 49 Ca -0.06 -0.36 -0.23 0.00 -2.27 0.00 0.00 64.05 61.13 1o6x n THR 49 Cb 0.45 -1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.84 3.17 -0.33 6.98 0.00 -0.22 -4.77 121.76 124.76 1o6x s ALA 50 Ca 0.73 -1.60 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1o6x s ALA 50 Cb -0.34 -0.82 0.15 0.00 0.00 0.00 0.00 23.12 22.11 1o6x s ALA 50 CO 0.51 0.30 0.37 -1.01 0.00 0.00 0.00 175.76 175.92 1o6x s HIS 51 N -2.22 -0.61 0.00 0.00 3.76 -1.25 -1.33 115.29 113.64 1o6x s HIS 51 Ca 0.31 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.99 1o6x s HIS 51 Cb -0.07 -0.33 -0.03 0.00 1.11 0.00 0.00 32.58 33.26 1o6x s HIS 51 CO 0.20 -0.97 -0.06 0.54 -0.85 0.00 0.00 174.74 173.60 1o6x s VAL 52 N 2.04 3.69 -1.14 -0.90 0.11 -1.24 -2.90 120.40 120.07 1o6x s VAL 52 Ca 0.12 -0.77 -0.16 0.00 -2.93 0.00 0.00 61.98 58.24 1o6x s VAL 52 Cb -0.14 -2.61 0.13 0.00 -1.53 0.00 0.00 36.38 32.24 1o6x s VAL 52 CO -0.20 0.39 1.42 -0.13 -3.33 0.00 0.00 175.10 173.24 1o6x s ARG 53 N -1.45 3.92 0.27 1.54 0.52 -1.26 -2.86 118.95 119.62 1o6x s ARG 53 Ca 0.17 -2.17 -0.24 0.00 -0.52 0.00 0.00 55.73 52.97 1o6x s ARG 53 Cb -0.11 -5.14 -0.09 0.00 0.52 0.00 0.00 34.95 30.13 1o6x s ARG 53 CO 0.08 -1.89 0.86 0.54 0.02 0.00 0.00 175.30 174.90 1o6x s VAL 54 N 2.59 4.32 0.17 3.52 0.11 0.50 -4.64 120.40 126.97 1o6x s VAL 54 Ca 0.43 1.68 -0.30 0.00 -2.93 0.00 0.00 61.98 60.85 1o6x s VAL 54 Cb -0.02 -4.01 -0.07 0.00 -1.53 0.00 0.00 36.38 30.75 1o6x s VAL 54 CO -0.02 0.24 1.12 -2.16 -3.33 0.00 0.00 175.10 170.96 1o6x s PRO 55 N -1.83 4.56 0.35 1.54 0.04 -1.26 0.38 135.00 138.77 1o6x s PRO 55 Ca 0.45 1.74 0.13 0.00 0.04 0.00 0.00 61.00 63.36 1o6x s PRO 55 Cb -0.19 -3.28 0.96 0.00 0.04 0.00 0.00 34.50 32.03 1o6x s PRO 55 CO 0.24 0.02 1.75 0.35 0.04 0.00 0.00 177.00 179.40 1o6x h PHE 56 N 5.25 0.88 0.00 0.56 3.04 -1.70 2.30 116.94 127.28 1o6x h PHE 56 Ca -0.44 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1o6x h PHE 56 Cb 1.21 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.47 1o6x h PHE 56 CO 0.63 0.08 0.00 -0.24 -2.02 0.00 0.00 178.31 176.76 1o6x h VAL 57 N 0.53 0.00 -0.03 1.41 3.04 -1.92 -1.52 116.25 117.76 1o6x h VAL 57 Ca 0.62 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 1o6x h VAL 57 Cb 1.30 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 1o6x h VAL 57 CO -0.40 0.00 0.00 -3.20 -1.01 0.00 0.00 177.57 172.96 1o6x n ASN 58 N -3.05 2.20 0.10 3.17 2.85 0.65 -4.58 115.26 116.61 1o6x n ASN 58 Ca -0.01 -2.31 -0.04 0.00 -0.11 0.00 0.00 54.58 52.12 1o6x n ASN 58 Cb 0.23 -0.14 0.03 0.00 1.24 0.00 0.00 39.78 41.14 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 0.18 1.54 0.26 3.44 2.07 0.35 -2.91 116.25 121.18 1o6x h VAL 59 Ca 0.00 -2.73 -0.01 0.00 0.82 0.00 0.00 66.70 64.78 1o6x h VAL 59 Cb 0.67 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1o6x h VAL 59 CO 0.01 0.77 -0.13 -0.61 0.02 0.00 0.00 177.57 177.63 1o6x h GLN 60 N 0.00 -0.34 -1.16 1.57 5.75 -1.81 0.16 115.11 119.28 1o6x h GLN 60 Ca -0.01 0.02 0.36 0.00 -0.15 0.00 0.00 58.65 58.87 1o6x h GLN 60 Cb 1.42 0.08 -0.12 0.00 1.07 0.00 0.00 27.48 29.92 1o6x h GLN 60 CO 0.10 -0.23 0.73 0.00 -2.65 0.00 0.00 178.83 176.79 1o6x h ALA 61 N -1.46 2.41 -0.09 3.38 0.00 -1.85 1.13 119.26 122.77 1o6x h ALA 61 Ca -0.04 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1o6x h ALA 61 Cb 0.27 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1o6x h ALA 61 CO 0.06 -0.96 -0.44 0.28 0.00 0.00 0.00 179.25 178.19 1o6x h VAL 62 N 0.23 1.39 -0.56 0.00 2.07 -1.52 -1.40 116.25 116.45 1o6x h VAL 62 Ca 0.73 -1.79 0.08 0.00 0.82 0.00 0.00 66.70 66.54 1o6x h VAL 62 Cb 2.04 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 34.01 1o6x h VAL 62 CO -0.42 0.53 0.38 0.11 0.02 0.00 0.00 177.57 178.19 1o6x h LYS 63 N 0.03 0.45 -0.03 1.57 1.57 0.41 0.11 116.57 120.68 1o6x h LYS 63 Ca -0.03 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 1o6x h LYS 63 Cb 1.08 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1o6x h LYS 63 CO 0.09 0.30 -0.90 0.28 -0.57 0.00 0.00 179.45 178.65 1o6x h VAL 64 N 0.46 1.38 0.60 0.50 2.07 -0.14 -3.07 116.25 118.05 1o6x h VAL 64 Ca 0.25 -2.33 -0.03 0.00 0.82 0.00 0.00 66.70 65.41 1o6x h VAL 64 Cb 0.39 2.32 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1o6x h VAL 64 CO -0.07 0.70 -0.29 0.15 0.02 0.00 0.00 177.57 178.08 1o6x h PHE 65 N 0.28 -0.75 -0.41 1.57 3.57 0.27 0.13 116.94 121.59 1o6x h PHE 65 Ca -0.07 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.48 1o6x h PHE 65 Cb 1.52 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 40.42 1o6x h PHE 65 CO 0.06 -0.44 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.18 1o6x h LEU 66 N -0.89 -1.50 -0.51 0.59 3.38 -1.07 0.38 115.31 115.68 1o6x h LEU 66 Ca -0.08 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1o6x h LEU 66 Cb 0.65 0.65 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 1o6x h LEU 66 CO 0.14 -0.37 0.15 -0.33 0.09 0.00 0.00 178.44 178.11 1o6x h GLU 67 N -0.34 0.30 -0.76 1.13 4.39 -1.48 -0.23 114.58 117.60 1o6x h GLU 67 Ca 0.13 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.92 1o6x h GLU 67 Cb 0.59 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.09 1o6x h GLU 67 CO -0.58 0.20 0.38 0.66 -1.16 0.00 0.00 179.01 178.50 1o6x h SER 68 N 0.31 0.48 -0.08 1.42 4.64 0.16 0.72 113.55 121.20 1o6x h SER 68 Ca 0.25 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1o6x h SER 68 Cb 0.30 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1o6x h SER 68 CO -0.28 0.25 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1o6x n GLN 69 N -4.87 1.22 -3.91 4.77 10.64 0.11 -4.88 117.38 120.46 1o6x n GLN 69 Ca 0.13 -0.30 -0.28 0.00 -1.83 0.00 0.00 57.00 54.72 1o6x n GLN 69 Cb 0.32 -1.13 -0.01 0.00 -0.86 0.00 0.00 30.24 28.56 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 0.56 -0.42 3.87 2.61 0.00 0.25 -4.78 105.19 107.28 1o6x n GLY 70 Ca 0.03 0.22 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.84 1.78 -0.11 -0.61 2.07 -0.25 -5.01 121.20 115.24 1o6x s ILE 71 Ca 0.13 -1.55 -0.00 0.00 -1.41 0.00 0.00 60.65 57.82 1o6x s ILE 71 Cb -0.05 -2.33 0.02 0.00 0.13 0.00 0.00 42.46 40.23 1o6x s ILE 71 CO 0.89 0.00 -0.08 0.00 -1.91 0.00 0.00 174.94 173.84 1o6x s ALA 72 N -2.73 1.31 0.01 1.50 0.00 -1.26 -4.56 121.76 116.02 1o6x s ALA 72 Ca 0.34 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1o6x s ALA 72 Cb -0.01 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 1o6x s ALA 72 CO 0.20 -0.35 0.00 2.48 0.00 0.00 0.00 175.76 178.10 1o6x n TYR 73 N 4.79 0.01 -3.43 0.00 4.11 -1.26 -1.34 117.16 120.05 1o6x n TYR 73 Ca -0.14 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.90 57.60 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 -1.04 -0.56 -0.34 9.48 0.15 0.36 -4.92 113.70 116.83 1o6x s SER 74 Ca 0.00 -0.01 -0.13 0.00 0.70 0.00 0.00 55.95 56.51 1o6x s SER 74 Cb 0.00 0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 1o6x s SER 74 CO 0.00 -0.97 0.26 -0.63 1.20 0.00 0.00 173.24 173.10 1o6x s ILE 75 N -3.75 5.27 0.00 6.45 1.01 -1.26 0.26 121.20 129.17 1o6x s ILE 75 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1o6x s ILE 75 Cb -0.01 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1o6x s ILE 75 CO -0.13 -0.01 0.00 0.80 0.00 0.00 0.00 174.94 175.61 1o6x n MET 76 N 5.15 0.00 -3.96 2.79 0.00 -1.20 -4.90 117.12 115.00 1o6x n MET 76 Ca -0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 57.70 57.23 1o6x n MET 76 Cb 0.50 -0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.65 1o6x n MET 76 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1o6x s ILE 77 N 0.00 5.28 0.00 1.12 1.10 -1.26 -5.04 121.20 122.41 1o6x s ILE 77 Ca 0.00 -0.01 0.00 0.00 -0.51 0.00 0.00 60.65 60.13 1o6x s ILE 77 Cb 0.00 -3.36 0.00 0.00 0.15 0.00 0.00 42.46 39.25 1o6x s ILE 77 CO 0.00 0.50 0.00 -0.62 -2.11 0.00 0.00 174.94 172.71 1o6x n GLU 78 N 1.61 3.42 -3.22 3.50 1.02 -1.26 -3.71 120.64 122.00 1o6x n GLU 78 Ca -0.16 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.00 1o6x n GLU 78 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.94 1o6x n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1o6x s ASP 79 N -1.00 -1.27 -0.50 1.62 2.15 -1.26 -4.77 116.67 111.64 1o6x s ASP 79 Ca 0.00 0.93 -0.32 0.00 0.43 0.00 0.00 52.55 53.59 1o6x s ASP 79 Cb 0.00 2.13 -0.12 0.00 -0.30 0.00 0.00 42.92 44.63 1o6x s ASP 79 CO 0.00 -0.26 2.34 0.55 -0.17 0.00 0.00 175.17 177.63 1o6x n VAL 80 N 5.43 0.09 0.00 1.11 3.14 -1.26 -5.04 118.33 121.79 1o6x n VAL 80 Ca -0.02 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1o6x n VAL 80 Cb 0.51 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 31.52 1o6x n VAL 80 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37