#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 0.15 0.91 2.12 6.06 -1.26 -5.18 118.95 121.75 1o6x s ARG 2 Ca 0.00 0.25 -0.13 0.00 -2.50 0.00 0.00 55.73 53.35 1o6x s ARG 2 Cb 0.00 0.03 0.17 0.00 0.06 0.00 0.00 34.95 35.22 1o6x s ARG 2 CO 0.00 -0.03 1.26 0.45 -2.50 0.00 0.00 175.30 174.48 1o6x s SER 3 N 1.08 3.46 0.27 -2.12 0.15 -1.26 -5.11 113.70 110.17 1o6x s SER 3 Ca -0.08 0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.86 1o6x s SER 3 Cb -0.03 -0.39 -0.06 0.00 -1.71 0.00 0.00 66.02 63.84 1o6x s SER 3 CO -0.11 -2.50 -0.03 -1.48 1.20 0.00 0.00 173.24 170.31 1o6x s LEU 4 N -5.74 2.36 0.15 3.45 0.05 -1.26 -5.16 118.68 112.53 1o6x s LEU 4 Ca 0.71 -1.22 0.07 0.00 0.05 0.00 0.00 54.13 53.75 1o6x s LEU 4 Cb -0.05 -0.49 -0.04 0.00 -2.05 0.00 0.00 46.19 43.57 1o6x s LEU 4 CO 0.51 -0.43 -0.03 -0.70 -0.55 0.00 0.00 176.35 175.15 1o6x s GLU 5 N -3.79 2.33 0.36 1.48 2.56 -1.26 -5.14 118.70 115.24 1o6x s GLU 5 Ca 0.30 -1.09 0.04 0.00 0.00 0.00 0.00 54.97 54.22 1o6x s GLU 5 Cb 0.05 -2.34 -0.06 0.00 2.00 0.00 0.00 34.13 33.78 1o6x s GLU 5 CO 0.11 0.47 0.05 0.95 -0.56 0.00 0.00 175.26 176.28 1o6x s THR 6 N -1.60 1.32 0.11 -1.70 -4.23 -1.26 -5.16 115.64 103.13 1o6x s THR 6 Ca 0.26 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 1o6x s THR 6 Cb -0.10 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 71.02 1o6x s THR 6 CO 0.17 0.00 0.55 0.49 -0.54 0.00 0.00 174.62 175.29 1o6x n PHE 7 N -0.80 -1.09 0.00 3.99 3.72 -1.26 -5.12 117.46 116.89 1o6x n PHE 7 Ca -0.04 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.63 1o6x n PHE 7 Cb 0.67 0.36 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 1o6x n PHE 7 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1o6x n VAL 8 N -0.38 0.00 0.00 -4.37 0.31 -1.26 -5.03 118.33 107.59 1o6x n VAL 8 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1o6x n VAL 8 Cb 0.32 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1o6x n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1o6x n GLY 9 N 3.10 0.64 1.84 2.92 0.00 -1.26 -5.09 105.19 107.34 1o6x n GLY 9 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 1o6x n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1o6x n ASP 10 N 0.00 -2.93 -3.64 1.61 5.75 -1.26 -4.00 116.55 112.08 1o6x n ASP 10 Ca 0.00 -0.43 -0.07 0.00 -0.01 0.00 0.00 54.79 54.28 1o6x n ASP 10 Cb 0.00 -0.54 -0.07 0.00 -1.03 0.00 0.00 41.12 39.48 1o6x n ASP 10 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1o6x s GLN 11 N -3.67 0.59 0.56 0.11 0.74 0.22 -4.66 119.66 113.54 1o6x s GLN 11 Ca 0.33 0.91 -0.01 0.00 0.05 0.00 0.00 55.36 56.64 1o6x s GLN 11 Cb -0.06 0.18 0.03 0.00 1.10 0.00 0.00 33.01 34.26 1o6x s GLN 11 CO 0.27 -0.11 0.81 0.08 -0.55 0.00 0.00 175.29 175.79 1o6x s VAL 12 N 1.12 3.06 -0.13 1.34 1.01 -1.26 -0.29 120.40 125.25 1o6x s VAL 12 Ca -0.06 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 1o6x s VAL 12 Cb -0.05 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1o6x s VAL 12 CO -0.13 -0.14 0.59 -1.48 0.00 0.00 0.00 175.10 173.93 1o6x s LEU 13 N -4.82 -0.26 -0.23 3.92 0.05 -1.16 -3.48 118.68 112.69 1o6x s LEU 13 Ca 0.55 0.85 -0.12 0.00 0.05 0.00 0.00 54.13 55.46 1o6x s LEU 13 Cb -0.10 2.13 -0.05 0.00 -2.05 0.00 0.00 46.19 46.12 1o6x s LEU 13 CO 0.40 -0.40 0.24 -1.83 -0.55 0.00 0.00 176.35 174.21 1o6x s GLU 14 N -0.52 4.10 0.07 1.48 -1.05 0.34 -3.59 118.70 119.51 1o6x s GLU 14 Ca -0.06 -0.12 0.07 0.00 -0.15 0.00 0.00 54.97 54.70 1o6x s GLU 14 Cb -0.03 -3.54 -0.04 0.00 -0.44 0.00 0.00 34.13 30.08 1o6x s GLU 14 CO 0.05 0.02 -0.15 0.42 0.95 0.00 0.00 175.26 176.55 1o6x s ILE 15 N 1.17 3.05 -0.35 1.83 1.01 -0.36 0.79 121.20 128.34 1o6x s ILE 15 Ca 0.11 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 1o6x s ILE 15 Cb -0.14 -2.35 0.12 0.00 0.01 0.00 0.00 42.46 40.10 1o6x s ILE 15 CO 0.06 0.25 0.18 -0.69 0.00 0.00 0.00 174.94 174.73 1o6x s VAL 16 N -1.04 0.48 0.93 2.92 1.01 0.41 -1.25 120.40 123.86 1o6x s VAL 16 Ca 0.17 -1.60 -0.16 0.00 0.00 0.00 0.00 61.98 60.40 1o6x s VAL 16 Cb -0.11 -1.36 0.22 0.00 0.00 0.00 0.00 36.38 35.13 1o6x s VAL 16 CO 0.08 -0.85 1.03 -0.81 0.00 0.00 0.00 175.10 174.55 1o6x n PRO 17 N 4.38 -1.95 0.00 2.72 -0.04 -1.26 -4.11 135.00 134.74 1o6x n PRO 17 Ca 0.04 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1o6x n PRO 17 Cb 0.39 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -4.15 0.00 -4.94 3.54 2.88 -1.26 -4.29 113.62 105.39 1o6x n SER 18 Ca 0.13 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.43 1o6x n SER 18 Cb 0.49 0.17 0.01 0.00 -0.75 0.00 0.00 64.21 64.13 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 -2.40 4.76 0.29 -3.46 0.01 -1.26 -4.75 114.94 108.12 1o6x s ASN 19 Ca 0.00 -1.15 0.22 0.00 -0.71 0.00 0.00 52.86 51.23 1o6x s ASN 19 Cb 0.00 0.41 0.13 0.00 0.41 0.00 0.00 41.25 42.20 1o6x s ASN 19 CO 0.00 -1.19 1.27 -0.33 -1.51 0.00 0.00 177.10 175.34 1o6x h GLU 20 N 0.57 0.00 0.77 -0.60 3.07 -1.98 -3.21 114.58 113.20 1o6x h GLU 20 Ca -0.35 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.48 1o6x h GLU 20 Cb 1.30 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.22 1o6x h GLU 20 CO 0.52 0.04 -0.37 1.49 -1.40 0.00 0.00 179.01 179.29 1o6x h GLU 21 N 0.00 -1.00 -0.15 2.33 4.57 -1.96 1.44 114.58 119.81 1o6x h GLU 21 Ca -0.01 0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1o6x h GLU 21 Cb 1.04 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1o6x h GLU 21 CO 0.00 -0.66 0.09 1.96 -1.18 0.00 0.00 179.01 179.23 1o6x h GLN 22 N -1.24 0.19 -0.03 1.92 7.50 -1.79 -0.09 115.11 121.58 1o6x h GLN 22 Ca -0.11 -0.01 -0.13 0.00 0.50 0.00 0.00 58.65 58.90 1o6x h GLN 22 Cb 0.81 -0.04 0.01 0.00 0.05 0.00 0.00 27.48 28.30 1o6x h GLN 22 CO 0.17 0.14 -0.51 0.82 -1.50 0.00 0.00 178.83 177.95 1o6x h ILE 23 N 0.20 1.43 0.00 2.54 2.04 -1.52 -2.94 117.51 119.26 1o6x h ILE 23 Ca 0.05 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.94 1o6x h ILE 23 Cb -0.01 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1o6x h ILE 23 CO -0.01 0.57 0.00 0.50 0.00 0.00 0.00 178.15 179.21 1o6x h LYS 24 N -0.12 0.00 0.05 2.37 3.64 0.28 -0.01 116.57 122.77 1o6x h LYS 24 Ca -0.06 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.09 1o6x h LYS 24 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1o6x h LYS 24 CO 0.10 0.00 -1.03 -0.91 -2.27 0.00 0.00 179.45 175.34 1o6x h ASN 25 N 0.00 0.30 -0.04 4.20 2.35 -0.87 -2.82 115.58 118.70 1o6x h ASN 25 Ca 0.00 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1o6x h ASN 25 Cb 0.16 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1o6x h ASN 25 CO 0.00 1.15 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.85 1o6x h LEU 26 N 0.09 0.08 0.01 1.61 3.38 -0.89 -1.43 115.31 118.17 1o6x h LEU 26 Ca -0.07 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1o6x h LEU 26 Cb 1.72 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.40 1o6x h LEU 26 CO 0.16 0.44 -0.31 -0.07 0.09 0.00 0.00 178.44 178.75 1o6x h LEU 27 N -0.28 -0.93 -1.43 1.67 3.38 -1.55 0.38 115.31 116.56 1o6x h LEU 27 Ca 0.01 0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.25 1o6x h LEU 27 Cb 0.40 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 1o6x h LEU 27 CO 0.00 -0.38 0.54 -0.61 0.09 0.00 0.00 178.44 178.09 1o6x h GLN 28 N -0.47 0.54 0.42 1.13 -0.00 -1.49 -0.24 115.11 115.00 1o6x h GLN 28 Ca 0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 1o6x h GLN 28 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.91 1o6x h GLN 28 CO -0.25 0.36 -0.20 1.25 0.00 0.00 0.00 178.83 179.98 1o6x h LEU 29 N 0.56 -0.48 -1.48 -2.39 5.85 0.17 -2.59 115.31 114.95 1o6x h LEU 29 Ca 0.41 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.30 1o6x h LEU 29 Cb 0.79 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1o6x h LEU 29 CO -0.17 -0.24 0.74 -0.08 -0.34 0.00 0.00 178.44 178.35 1o6x h GLU 30 N -0.77 0.00 -0.18 1.25 4.81 0.10 0.98 114.58 120.77 1o6x h GLU 30 Ca -0.06 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1o6x h GLU 30 Cb 0.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1o6x h GLU 30 CO 0.10 0.00 -0.20 0.00 -0.73 0.00 0.00 179.01 178.17 1o6x h ALA 31 N 1.01 0.27 -0.59 2.92 0.00 -0.79 -3.39 119.26 118.69 1o6x h ALA 31 Ca 0.24 -0.36 -0.57 0.00 0.00 0.00 0.00 54.91 54.23 1o6x h ALA 31 Cb 1.72 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1o6x h ALA 31 CO -0.00 0.21 1.59 1.04 0.00 0.00 0.00 179.25 182.09 1o6x n GLN 32 N -4.46 0.47 -0.37 0.00 1.13 0.34 -4.77 117.38 109.72 1o6x n GLN 32 Ca -0.06 0.06 -0.07 0.00 -1.94 0.00 0.00 57.00 55.00 1o6x n GLN 32 Cb 0.41 -2.14 -0.04 0.00 0.11 0.00 0.00 30.24 28.57 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 8.40 -0.33 -0.31 -1.09 4.71 -1.26 0.20 120.64 130.95 1o6x n GLU 33 Ca 0.53 1.39 0.04 0.00 -0.01 0.00 0.00 57.16 59.11 1o6x n GLU 33 Cb 0.18 -2.05 0.19 0.00 -1.01 0.00 0.00 31.44 28.75 1o6x n GLU 33 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1o6x h HIS 34 N 0.00 0.92 -0.99 -0.32 3.86 -1.94 0.03 115.15 116.71 1o6x h HIS 34 Ca 0.21 0.03 -0.51 0.00 -1.16 0.00 0.00 60.37 58.94 1o6x h HIS 34 Cb 0.44 -0.28 -0.19 0.00 1.06 0.00 0.00 27.41 28.43 1o6x h HIS 34 CO -0.89 0.35 0.57 1.28 0.86 0.00 0.00 177.93 180.10 1o6x n LEU 35 N -4.73 6.81 -3.36 2.43 4.77 0.52 -4.82 117.00 118.63 1o6x n LEU 35 Ca 0.15 -3.96 -0.30 0.00 -0.03 0.00 0.00 56.01 51.88 1o6x n LEU 35 Cb 0.32 -1.12 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 1o6x n LEU 35 CO 0.26 1.53 1.94 0.00 -1.33 0.00 0.00 177.39 179.79 1o6x n GLN 36 N 0.23 1.26 -1.31 3.23 6.02 -0.00 -4.11 117.38 122.70 1o6x n GLN 36 Ca 0.46 -1.38 -0.30 0.00 -0.01 0.00 0.00 57.00 55.77 1o6x n GLN 36 Cb 0.53 -2.56 0.13 0.00 1.02 0.00 0.00 30.24 29.36 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 2.32 -0.17 1.08 1.43 -1.26 -5.05 118.68 117.48 1o6x s LEU 37 Ca 0.44 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.94 1o6x s LEU 37 Cb 0.11 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.50 1o6x s LEU 37 CO 0.08 -2.48 -0.01 -0.62 0.23 0.00 0.00 176.35 173.55 1o6x s ASP 38 N -3.57 2.82 -0.11 2.29 2.15 -1.26 -4.86 116.67 114.13 1o6x s ASP 38 Ca 0.63 -0.71 -0.25 0.00 0.43 0.00 0.00 52.55 52.65 1o6x s ASP 38 Cb -0.17 -0.77 -0.03 0.00 -0.30 0.00 0.00 42.92 41.66 1o6x s ASP 38 CO 0.56 -0.24 0.79 -0.36 -0.17 0.00 0.00 175.17 175.75 1o6x s PHE 39 N 1.73 3.51 0.01 -5.34 0.08 -1.26 -3.98 117.98 112.73 1o6x s PHE 39 Ca -0.00 1.28 -0.26 0.00 0.12 0.00 0.00 56.93 58.07 1o6x s PHE 39 Cb -0.16 -2.93 -0.15 0.00 -0.57 0.00 0.00 43.02 39.21 1o6x s PHE 39 CO -0.07 -0.08 1.11 -1.49 -0.10 0.00 0.00 175.22 174.58 1o6x h TRP 40 N 7.06 -0.79 -0.07 0.36 4.06 -1.91 -3.45 115.95 121.20 1o6x h TRP 40 Ca -0.35 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.58 1o6x h TRP 40 Cb 1.17 0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.59 1o6x h TRP 40 CO 0.69 -0.46 0.00 1.17 -3.56 0.00 0.00 178.44 176.28 1o6x n LYS 41 N -5.35 3.60 -3.57 0.49 4.81 -1.26 -5.00 118.16 111.87 1o6x n LYS 41 Ca -0.11 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.03 1o6x n LYS 41 Cb 0.35 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.26 1o6x n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1o6x s SER 42 N -1.00 3.51 0.00 3.14 1.04 -1.26 -4.96 113.70 114.17 1o6x s SER 42 Ca 0.00 -1.67 0.23 0.00 0.48 0.00 0.00 55.95 55.00 1o6x s SER 42 Cb 0.00 -0.51 1.20 0.00 0.10 0.00 0.00 66.02 66.81 1o6x s SER 42 CO 0.00 -0.39 1.76 -0.81 0.98 0.00 0.00 173.24 174.77 1o6x n PRO 43 N 4.77 0.39 -0.38 4.02 -0.04 -1.26 -3.53 135.00 138.96 1o6x n PRO 43 Ca 0.00 0.06 0.37 0.00 -0.04 0.00 0.00 63.50 63.89 1o6x n PRO 43 Cb 0.40 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.11 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 0.00 0.35 -3.41 0.52 2.02 -1.93 -3.40 112.91 107.06 1o6x h THR 44 Ca 0.00 -0.01 -0.42 0.00 0.77 0.00 0.00 66.41 66.75 1o6x h THR 44 Cb 0.18 0.32 -0.17 0.00 -1.74 0.00 0.00 68.15 66.74 1o6x h THR 44 CO 0.00 0.01 -0.75 0.42 0.37 0.00 0.00 175.52 175.56 1o6x s THR 45 N -4.98 1.43 0.00 3.16 -4.23 -1.23 -4.91 115.64 104.88 1o6x s THR 45 Ca -0.05 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1o6x s THR 45 Cb 0.24 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.38 1o6x s THR 45 CO 0.82 -0.48 0.00 -0.81 -0.54 0.00 0.00 174.62 173.61 1o6x n PRO 46 N 0.25 -0.02 -1.37 3.99 -0.04 -1.26 -4.12 135.00 132.42 1o6x n PRO 46 Ca -0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 1o6x n PRO 46 Cb 0.58 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 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 3.77 1.24 2.72 0.55 0.00 -1.26 -4.89 105.19 107.32 1o6x n GLY 47 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.09 -0.06 0.33 1.61 4.04 -1.26 -5.12 118.70 115.16 1o6x s GLU 48 Ca 0.00 0.30 -0.25 0.00 0.04 0.00 0.00 54.97 55.06 1o6x s GLU 48 Cb 0.00 -0.38 -0.10 0.00 0.02 0.00 0.00 34.13 33.67 1o6x s GLU 48 CO 0.00 -0.25 0.93 0.95 -1.84 0.00 0.00 175.26 175.04 1o6x s THR 49 N 1.65 4.28 0.16 1.83 -4.23 -1.26 -4.40 115.64 113.67 1o6x s THR 49 Ca -0.02 1.71 0.08 0.00 -1.18 0.00 0.00 61.69 62.29 1o6x s THR 49 Cb -0.12 -3.92 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 1o6x s THR 49 CO -0.03 0.06 -0.09 0.00 -0.54 0.00 0.00 174.62 174.02 1o6x s ALA 50 N -1.72 2.96 -0.34 3.99 0.00 -0.38 -4.65 121.76 121.62 1o6x s ALA 50 Ca 0.52 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1o6x s ALA 50 Cb -0.17 -0.79 0.15 0.00 0.00 0.00 0.00 23.12 22.32 1o6x s ALA 50 CO 0.21 0.51 0.37 -1.01 0.00 0.00 0.00 175.76 175.85 1o6x s HIS 51 N -1.57 -0.53 0.00 0.00 3.76 -1.25 -1.23 115.29 114.47 1o6x s HIS 51 Ca 0.24 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1o6x s HIS 51 Cb -0.09 -0.34 -0.03 0.00 1.11 0.00 0.00 32.58 33.22 1o6x s HIS 51 CO 0.15 -0.97 -0.04 0.54 -0.85 0.00 0.00 174.74 173.57 1o6x s VAL 52 N 1.87 3.87 -1.17 -0.90 0.11 -1.24 -2.77 120.40 120.18 1o6x s VAL 52 Ca 0.14 -0.69 -0.16 0.00 -2.93 0.00 0.00 61.98 58.33 1o6x s VAL 52 Cb -0.14 -2.70 0.14 0.00 -1.53 0.00 0.00 36.38 32.15 1o6x s VAL 52 CO -0.16 0.39 1.45 0.00 -3.33 0.00 0.00 175.10 173.45 1o6x s ARG 53 N -1.47 3.97 0.25 1.54 1.70 -1.26 -3.01 118.95 120.68 1o6x s ARG 53 Ca 0.18 -2.27 -0.23 0.00 -0.47 0.00 0.00 55.73 52.94 1o6x s ARG 53 Cb -0.11 -5.15 -0.09 0.00 -0.57 0.00 0.00 34.95 29.03 1o6x s ARG 53 CO 0.09 -1.89 0.82 0.54 -1.08 0.00 0.00 175.30 173.78 1o6x s VAL 54 N 2.46 4.38 0.17 4.99 0.11 0.60 -4.65 120.40 128.46 1o6x s VAL 54 Ca 0.44 1.59 -0.30 0.00 -2.93 0.00 0.00 61.98 60.78 1o6x s VAL 54 Cb -0.02 -3.99 -0.08 0.00 -1.53 0.00 0.00 36.38 30.77 1o6x s VAL 54 CO -0.00 0.26 1.12 -2.16 -3.33 0.00 0.00 175.10 170.99 1o6x s PRO 55 N -1.81 4.56 0.33 1.54 0.04 -1.26 0.68 135.00 139.09 1o6x s PRO 55 Ca 0.44 1.75 0.11 0.00 0.04 0.00 0.00 61.00 63.33 1o6x s PRO 55 Cb -0.19 -3.28 0.91 0.00 0.04 0.00 0.00 34.50 31.98 1o6x s PRO 55 CO 0.23 0.02 1.74 0.35 0.04 0.00 0.00 177.00 179.39 1o6x h PHE 56 N 5.24 0.97 0.00 0.56 3.57 -1.83 2.22 116.94 127.67 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 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1o6x h PHE 56 CO 0.63 0.08 -0.02 -0.24 -2.23 0.00 0.00 178.31 176.53 1o6x h VAL 57 N 0.57 0.06 -0.09 1.41 3.04 -1.91 -1.12 116.25 118.21 1o6x h VAL 57 Ca 0.63 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1o6x h VAL 57 Cb 1.25 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1o6x h VAL 57 CO -0.44 0.02 0.00 -3.20 -1.01 0.00 0.00 177.57 172.93 1o6x n ASN 58 N -3.14 2.37 0.09 3.17 2.85 0.63 -4.55 115.26 116.67 1o6x n ASN 58 Ca -0.01 -2.25 -0.04 0.00 -0.11 0.00 0.00 54.58 52.16 1o6x n ASN 58 Cb 0.21 -0.16 -0.00 0.00 1.24 0.00 0.00 39.78 41.08 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 0.53 1.58 0.12 3.44 2.07 0.35 -2.91 116.25 121.43 1o6x h VAL 59 Ca 0.00 -2.89 -0.01 0.00 0.82 0.00 0.00 66.70 64.62 1o6x h VAL 59 Cb 0.69 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1o6x h VAL 59 CO 0.01 0.82 -0.06 -0.61 0.02 0.00 0.00 177.57 177.76 1o6x h GLN 60 N 0.00 -0.16 -1.25 1.57 5.75 -1.80 0.45 115.11 119.67 1o6x h GLN 60 Ca -0.01 0.01 0.38 0.00 -0.15 0.00 0.00 58.65 58.89 1o6x h GLN 60 Cb 1.50 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 29.97 1o6x h GLN 60 CO 0.11 -0.11 0.81 0.00 -2.65 0.00 0.00 178.83 176.99 1o6x h ALA 61 N -1.80 2.63 -0.06 3.38 0.00 -1.85 1.58 119.26 123.13 1o6x h ALA 61 Ca -0.02 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1o6x h ALA 61 Cb 0.13 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1o6x h ALA 61 CO 0.03 -1.18 -0.73 0.28 0.00 0.00 0.00 179.25 177.65 1o6x h VAL 62 N 0.17 1.34 -0.37 0.00 2.07 -1.50 -1.48 116.25 116.47 1o6x h VAL 62 Ca 0.74 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1o6x h VAL 62 Cb 2.27 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 34.31 1o6x h VAL 62 CO -0.35 0.62 0.23 0.50 0.02 0.00 0.00 177.57 178.59 1o6x h LYS 63 N 0.24 0.48 0.01 1.57 3.64 0.68 0.11 116.57 123.30 1o6x h LYS 63 Ca -0.07 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.07 1o6x h LYS 63 Cb 1.39 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1o6x h LYS 63 CO 0.15 0.33 -0.90 0.28 -2.27 0.00 0.00 179.45 177.03 1o6x h VAL 64 N 0.50 1.47 0.41 2.00 2.07 -0.10 -3.11 116.25 119.49 1o6x h VAL 64 Ca 0.13 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.04 1o6x h VAL 64 Cb -0.04 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1o6x h VAL 64 CO -0.03 0.76 -0.20 0.15 0.02 0.00 0.00 177.57 178.28 1o6x h PHE 65 N 0.14 -0.51 -0.38 1.57 3.57 0.01 0.11 116.94 121.44 1o6x h PHE 65 Ca -0.05 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.50 1o6x h PHE 65 Cb 1.54 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 40.36 1o6x h PHE 65 CO 0.04 -0.22 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.43 1o6x h LEU 66 N -0.75 -1.32 -0.65 0.59 3.38 -1.14 0.43 115.31 115.85 1o6x h LEU 66 Ca -0.06 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1o6x h LEU 66 Cb 0.52 0.58 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1o6x h LEU 66 CO 0.09 -0.36 0.36 -0.33 0.09 0.00 0.00 178.44 178.29 1o6x h GLU 67 N -0.32 0.64 -0.78 1.13 4.39 -1.52 -0.90 114.58 117.22 1o6x h GLU 67 Ca 0.14 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.89 1o6x h GLU 67 Cb 0.58 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 1o6x h GLU 67 CO -0.55 0.42 0.45 0.66 -1.16 0.00 0.00 179.01 178.83 1o6x h SER 68 N 0.66 0.65 -0.06 1.42 4.64 0.17 0.48 113.55 121.51 1o6x h SER 68 Ca 0.29 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1o6x h SER 68 Cb 0.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1o6x h SER 68 CO -0.18 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.17 1o6x n GLN 69 N -4.75 1.16 -3.93 4.77 10.64 0.13 -4.88 117.38 120.52 1o6x n GLN 69 Ca 0.12 -0.22 -0.29 0.00 -1.83 0.00 0.00 57.00 54.78 1o6x n GLN 69 Cb 0.24 -1.11 -0.01 0.00 -0.86 0.00 0.00 30.24 28.50 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 0.53 -0.45 3.85 2.61 0.00 0.17 -4.48 105.19 107.41 1o6x n GLY 70 Ca 0.02 0.24 -0.24 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 -3.84 2.12 -0.16 -0.61 2.07 -0.46 -4.96 121.20 115.36 1o6x s ILE 71 Ca 0.16 -1.51 0.00 0.00 -1.41 0.00 0.00 60.65 57.89 1o6x s ILE 71 Cb -0.07 -2.63 0.03 0.00 0.13 0.00 0.00 42.46 39.92 1o6x s ILE 71 CO 0.90 0.00 -0.14 0.00 -1.91 0.00 0.00 174.94 173.79 1o6x s ALA 72 N -2.64 1.93 0.00 1.50 0.00 -1.26 -4.61 121.76 116.68 1o6x s ALA 72 Ca 0.40 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1o6x s ALA 72 Cb -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1o6x s ALA 72 CO 0.23 -0.46 0.00 2.48 0.00 0.00 0.00 175.76 178.01 1o6x n TYR 73 N 4.74 0.00 -3.71 0.00 4.11 -1.26 -0.44 117.16 120.59 1o6x n TYR 73 Ca -0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.69 1o6x n TYR 73 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.82 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 -0.77 -0.19 -0.20 9.48 0.01 0.24 -4.94 113.70 117.32 1o6x s SER 74 Ca 0.00 -0.34 -0.11 0.00 1.31 0.00 0.00 55.95 56.81 1o6x s SER 74 Cb 0.00 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.64 1o6x s SER 74 CO 0.00 -0.83 0.17 -0.63 0.41 0.00 0.00 173.24 172.37 1o6x s ILE 75 N -3.21 5.37 -0.02 1.44 1.01 -1.26 -0.51 121.20 124.02 1o6x s ILE 75 Ca 0.11 0.27 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 1o6x s ILE 75 Cb -0.01 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1o6x s ILE 75 CO 0.00 0.40 -0.04 0.80 0.00 0.00 0.00 174.94 176.11 1o6x n MET 76 N 3.75 0.08 -4.40 2.79 1.56 -1.23 -4.84 117.12 114.83 1o6x n MET 76 Ca -0.15 0.22 -0.29 0.00 -0.27 0.00 0.00 57.70 57.21 1o6x n MET 76 Cb 0.52 -0.83 -0.12 0.00 2.15 0.00 0.00 33.22 34.94 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 -1.23 2.52 0.00 1.12 1.10 -1.26 -5.07 121.20 118.38 1o6x s ILE 77 Ca -0.03 -1.61 0.00 0.00 -0.51 0.00 0.00 60.65 58.50 1o6x s ILE 77 Cb 0.00 -2.12 0.00 0.00 0.15 0.00 0.00 42.46 40.49 1o6x s ILE 77 CO 0.05 0.12 0.00 1.21 -2.11 0.00 0.00 174.94 174.21 1o6x n GLU 78 N 0.94 2.12 -2.33 3.50 2.13 -1.26 -4.06 120.64 121.67 1o6x n GLU 78 Ca -0.17 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.22 1o6x n GLU 78 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 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 4.76 -4.35 4.31 9.92 -1.26 -4.93 116.55 124.99 1o6x n ASP 79 Ca 0.00 -2.98 -0.52 0.00 -0.53 0.00 0.00 54.79 50.76 1o6x n ASP 79 Cb 0.00 -1.59 -0.13 0.00 -0.64 0.00 0.00 41.12 38.76 1o6x n ASP 79 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1o6x n VAL 80 N 4.58 0.01 0.00 2.53 3.14 -1.26 -4.95 118.33 122.38 1o6x n VAL 80 Ca 0.44 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.79 1o6x n VAL 80 Cb 0.40 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 1o6x n VAL 80 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04