#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 0.02 -0.28 0.03 6.06 -1.26 -5.13 118.95 118.39 1o6x s ARG 2 Ca 0.00 0.04 0.03 0.00 -2.50 0.00 0.00 55.73 53.29 1o6x s ARG 2 Cb 0.00 0.01 0.08 0.00 0.06 0.00 0.00 34.95 35.09 1o6x s ARG 2 CO 0.00 -0.00 -0.03 -1.54 -2.50 0.00 0.00 175.30 171.22 1o6x s SER 3 N 0.87 4.38 0.25 -2.12 1.04 -1.26 -5.09 113.70 111.76 1o6x s SER 3 Ca -0.06 -1.60 -0.03 0.00 0.48 0.00 0.00 55.95 54.74 1o6x s SER 3 Cb -0.03 -1.44 -0.02 0.00 0.10 0.00 0.00 66.02 64.63 1o6x s SER 3 CO -0.10 -0.28 0.28 -0.76 0.98 0.00 0.00 173.24 173.36 1o6x s LEU 4 N 1.14 0.98 0.50 2.42 1.43 -1.26 -5.18 118.68 118.72 1o6x s LEU 4 Ca -0.01 -1.32 0.05 0.00 -1.03 0.00 0.00 54.13 51.82 1o6x s LEU 4 Cb -0.19 0.90 0.01 0.00 0.03 0.00 0.00 46.19 46.94 1o6x s LEU 4 CO -0.08 -1.00 0.28 -0.70 0.23 0.00 0.00 176.35 175.08 1o6x s GLU 5 N -3.90 2.25 0.00 1.70 2.12 -1.26 -5.16 118.70 114.46 1o6x s GLU 5 Ca 0.34 -2.03 0.00 0.00 0.36 0.00 0.00 54.97 53.64 1o6x s GLU 5 Cb 0.04 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.45 1o6x s GLU 5 CO 0.14 -0.44 0.00 0.25 -0.54 0.00 0.00 175.26 174.67 1o6x n THR 6 N -1.54 0.00 -3.61 -1.70 -2.24 -1.26 -5.18 114.28 98.75 1o6x n THR 6 Ca -0.05 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 1o6x n THR 6 Cb 0.65 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.00 -1.21 0.00 4.78 3.72 -1.26 -5.12 117.46 118.37 1o6x n PHE 7 Ca 0.00 -0.77 0.00 0.00 -0.05 0.00 0.00 57.45 56.63 1o6x n PHE 7 Cb 0.00 0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.36 0.00 0.00 -4.37 0.31 -1.26 -5.15 118.33 107.50 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 0.31 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 2.55 3.95 1.87 2.92 0.00 -1.26 -5.08 105.19 110.14 1o6x n GLY 9 Ca 0.00 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.08 -3.64 1.61 5.75 -1.26 -3.89 116.55 112.04 1o6x n ASP 10 Ca 0.00 -0.46 -0.10 0.00 -0.01 0.00 0.00 54.79 54.21 1o6x n ASP 10 Cb 0.00 -0.56 -0.07 0.00 -1.03 0.00 0.00 41.12 39.46 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 -3.89 0.62 0.42 0.11 0.74 0.18 -4.66 119.66 113.18 1o6x s GLN 11 Ca 0.35 0.75 0.05 0.00 0.05 0.00 0.00 55.36 56.57 1o6x s GLN 11 Cb -0.06 0.29 0.01 0.00 1.10 0.00 0.00 33.01 34.34 1o6x s GLN 11 CO 0.30 -0.08 0.58 0.08 -0.55 0.00 0.00 175.29 175.62 1o6x s VAL 12 N 0.36 3.49 -0.12 1.34 1.01 -1.25 0.38 120.40 125.60 1o6x s VAL 12 Ca 0.01 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 1o6x s VAL 12 Cb -0.05 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.16 1o6x s VAL 12 CO -0.05 -0.11 0.57 -1.48 0.00 0.00 0.00 175.10 174.04 1o6x s LEU 13 N -4.39 -0.19 -0.25 3.92 0.05 -1.17 -3.57 118.68 113.09 1o6x s LEU 13 Ca 0.51 0.80 -0.12 0.00 0.05 0.00 0.00 54.13 55.37 1o6x s LEU 13 Cb -0.10 2.07 -0.05 0.00 -2.05 0.00 0.00 46.19 46.06 1o6x s LEU 13 CO 0.34 -0.40 0.24 -1.83 -0.55 0.00 0.00 176.35 174.15 1o6x s GLU 14 N -0.55 4.04 0.05 1.48 -1.05 0.56 -3.60 118.70 119.63 1o6x s GLU 14 Ca -0.07 -0.15 0.05 0.00 -0.15 0.00 0.00 54.97 54.65 1o6x s GLU 14 Cb -0.03 -3.59 -0.04 0.00 -0.44 0.00 0.00 34.13 30.03 1o6x s GLU 14 CO 0.05 -0.08 -0.07 0.42 0.95 0.00 0.00 175.26 176.52 1o6x s ILE 15 N 1.48 3.58 -0.41 1.83 1.01 -0.28 0.75 121.20 129.16 1o6x s ILE 15 Ca 0.11 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1o6x s ILE 15 Cb -0.15 -2.62 0.12 0.00 0.01 0.00 0.00 42.46 39.82 1o6x s ILE 15 CO 0.08 0.25 0.18 -0.69 0.00 0.00 0.00 174.94 174.76 1o6x s VAL 16 N -1.12 1.54 0.87 2.92 1.01 -0.26 -1.10 120.40 124.26 1o6x s VAL 16 Ca 0.20 -2.36 -0.15 0.00 0.00 0.00 0.00 61.98 59.67 1o6x s VAL 16 Cb -0.11 -2.10 0.21 0.00 0.00 0.00 0.00 36.38 34.37 1o6x s VAL 16 CO 0.11 -0.79 0.96 -0.81 0.00 0.00 0.00 175.10 174.57 1o6x n PRO 17 N 3.88 -1.84 0.00 2.72 -0.04 -1.26 -4.32 135.00 134.14 1o6x n PRO 17 Ca 0.05 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 1o6x n PRO 17 Cb 0.37 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -4.07 0.00 -1.14 3.54 2.88 -1.26 -4.46 113.62 109.11 1o6x n SER 18 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1o6x n SER 18 Cb 0.46 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1o6x n SER 18 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1o6x n ASN 19 N -2.04 0.79 -0.09 -3.46 3.02 -1.26 -4.77 115.26 107.45 1o6x n ASN 19 Ca 0.00 -0.57 -0.11 0.00 -0.03 0.00 0.00 54.58 53.87 1o6x n ASN 19 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1o6x n ASN 19 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1o6x n GLU 20 N -0.35 0.68 0.06 3.52 4.71 -1.26 -3.89 120.64 124.11 1o6x n GLU 20 Ca 0.00 0.07 -0.12 0.00 -0.01 0.00 0.00 57.16 57.09 1o6x n GLU 20 Cb 0.00 -1.57 -0.07 0.00 -1.01 0.00 0.00 31.44 28.79 1o6x n GLU 20 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1o6x h GLU 21 N 0.00 -0.05 -0.92 3.49 4.81 -1.97 1.47 114.58 121.42 1o6x h GLU 21 Ca -0.50 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1o6x h GLU 21 Cb 2.17 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.52 1o6x h GLU 21 CO 0.03 -0.02 0.56 1.96 -0.73 0.00 0.00 179.01 180.80 1o6x h GLN 22 N -0.06 1.24 -0.28 1.92 4.20 -1.88 0.06 115.11 120.31 1o6x h GLN 22 Ca -0.01 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 1o6x h GLN 22 Cb 0.05 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 1o6x h GLN 22 CO 0.01 0.86 -0.40 0.82 -0.67 0.00 0.00 178.83 179.46 1o6x h ILE 23 N 1.26 1.30 0.00 2.54 2.04 -1.57 -2.41 117.51 120.67 1o6x h ILE 23 Ca 0.33 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1o6x h ILE 23 Cb -0.06 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1o6x h ILE 23 CO -0.06 0.51 0.00 0.50 0.00 0.00 0.00 178.15 179.10 1o6x h LYS 24 N 0.51 0.00 -0.27 2.37 3.64 0.26 -1.46 116.57 121.62 1o6x h LYS 24 Ca 0.03 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 1o6x h LYS 24 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1o6x h LYS 24 CO 0.09 0.00 -0.49 -0.97 -2.27 0.00 0.00 179.45 175.82 1o6x h ASN 25 N 0.00 0.89 -0.43 4.20 -0.00 -0.47 -2.55 115.58 117.22 1o6x h ASN 25 Ca 0.00 -0.53 -0.05 0.00 -0.00 0.00 0.00 56.30 55.72 1o6x h ASN 25 Cb 0.19 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.24 1o6x h ASN 25 CO 0.00 1.25 0.07 -0.07 -0.00 0.00 0.00 177.43 178.69 1o6x h LEU 26 N 0.56 0.68 -0.01 0.34 3.38 -1.27 -2.00 115.31 117.00 1o6x h LEU 26 Ca 0.02 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1o6x h LEU 26 Cb 1.09 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 1o6x h LEU 26 CO 0.11 0.77 -0.36 -0.07 0.09 0.00 0.00 178.44 178.98 1o6x h LEU 27 N 0.57 -1.08 -1.32 1.67 3.38 -1.46 0.75 115.31 117.82 1o6x h LEU 27 Ca 0.13 0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.39 1o6x h LEU 27 Cb 0.37 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 1o6x h LEU 27 CO 0.01 -0.41 0.57 -0.61 0.09 0.00 0.00 178.44 178.09 1o6x h GLN 28 N -0.51 0.63 0.40 1.13 -0.00 -1.34 0.63 115.11 116.05 1o6x h GLN 28 Ca 0.06 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 1o6x h GLN 28 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.94 1o6x h GLN 28 CO -0.29 0.42 -0.19 1.25 0.00 0.00 0.00 178.83 180.02 1o6x h LEU 29 N 0.65 -0.45 -2.15 -2.39 5.85 -0.17 -2.74 115.31 113.91 1o6x h LEU 29 Ca 0.45 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.20 1o6x h LEU 29 Cb 0.77 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1o6x h LEU 29 CO -0.20 -0.19 0.29 -0.08 -0.34 0.00 0.00 178.44 177.91 1o6x h GLU 30 N -0.79 0.00 -0.31 1.25 4.22 0.81 0.46 114.58 120.23 1o6x h GLU 30 Ca -0.05 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.25 1o6x h GLU 30 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1o6x h GLU 30 CO 0.09 0.00 -0.36 0.00 -2.18 0.00 0.00 179.01 176.55 1o6x h ALA 31 N 1.48 0.77 -0.20 2.92 0.00 0.43 -3.40 119.26 121.26 1o6x h ALA 31 Ca 0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1o6x h ALA 31 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1o6x h ALA 31 CO -0.00 0.65 0.18 1.04 0.00 0.00 0.00 179.25 181.12 1o6x n GLN 32 N -4.05 0.31 -1.55 0.00 1.13 0.16 -4.80 117.38 108.58 1o6x n GLN 32 Ca -0.01 -1.11 -0.25 0.00 -1.94 0.00 0.00 57.00 53.68 1o6x n GLN 32 Cb 0.51 -3.51 -0.07 0.00 0.11 0.00 0.00 30.24 27.28 1o6x n GLN 32 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1o6x n GLU 33 N 8.12 0.68 0.05 -1.09 0.00 -1.26 -3.36 120.64 123.78 1o6x n GLU 33 Ca 0.43 -0.38 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1o6x n GLU 33 Cb 0.43 -3.25 0.00 0.00 0.00 0.00 0.00 31.44 28.62 1o6x n GLU 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1o6x n HIS 34 N 16.08 -2.72 0.06 4.31 8.25 -1.26 -4.94 115.22 134.99 1o6x n HIS 34 Ca 0.46 0.33 -0.01 0.00 -0.26 0.00 0.00 57.72 58.23 1o6x n HIS 34 Cb 0.43 1.18 0.26 0.00 1.12 0.00 0.00 29.99 32.98 1o6x n HIS 34 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o6x h LEU 35 N 0.00 0.37 -2.46 2.41 3.38 -1.93 -3.47 115.31 113.61 1o6x h LEU 35 Ca 0.00 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 1o6x h LEU 35 Cb 0.00 -0.10 0.13 0.00 0.09 0.00 0.00 40.66 40.79 1o6x h LEU 35 CO 0.00 0.61 -0.58 0.00 0.09 0.00 0.00 178.44 178.56 1o6x n GLN 36 N -4.15 -2.12 -3.39 1.13 6.02 -1.26 -4.90 117.38 108.71 1o6x n GLN 36 Ca -0.00 0.60 -0.33 0.00 -0.01 0.00 0.00 57.00 57.26 1o6x n GLN 36 Cb 0.37 -4.56 -0.05 0.00 1.02 0.00 0.00 30.24 27.02 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 -4.72 4.19 -0.04 1.08 1.02 -1.26 -5.01 118.68 113.94 1o6x s LEU 37 Ca 0.26 0.97 -0.01 0.00 0.02 0.00 0.00 54.13 55.38 1o6x s LEU 37 Cb -0.03 -3.63 0.03 0.00 0.02 0.00 0.00 46.19 42.57 1o6x s LEU 37 CO 0.51 -0.05 0.02 -0.62 0.02 0.00 0.00 176.35 176.23 1o6x s ASP 38 N -2.23 0.81 -0.01 2.29 2.15 -1.26 -4.91 116.67 113.51 1o6x s ASP 38 Ca 0.46 -0.01 -0.23 0.00 0.43 0.00 0.00 52.55 53.20 1o6x s ASP 38 Cb -0.12 -0.24 -0.05 0.00 -0.30 0.00 0.00 42.92 42.21 1o6x s ASP 38 CO 0.20 -0.16 0.67 -0.36 -0.17 0.00 0.00 175.17 175.36 1o6x s PHE 39 N 1.48 3.66 -0.05 -5.34 0.08 -1.26 -3.43 117.98 113.12 1o6x s PHE 39 Ca -0.03 1.28 -0.01 0.00 0.12 0.00 0.00 56.93 58.29 1o6x s PHE 39 Cb -0.13 -2.73 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1o6x s PHE 39 CO -0.03 0.24 0.08 -1.49 -0.10 0.00 0.00 175.22 173.92 1o6x h TRP 40 N 6.02 -0.04 -3.41 0.36 4.06 -1.40 -3.43 115.95 118.12 1o6x h TRP 40 Ca -0.43 -0.00 -0.63 0.00 2.06 0.00 0.00 58.89 59.88 1o6x h TRP 40 Cb 1.20 0.01 -0.14 0.00 -1.00 0.00 0.00 29.16 29.24 1o6x h TRP 40 CO 0.65 -0.03 0.36 0.15 -3.56 0.00 0.00 178.44 176.01 1o6x s LYS 41 N -1.49 3.32 -0.90 0.49 1.02 -1.26 -4.92 119.74 116.00 1o6x s LYS 41 Ca -0.01 -0.32 -0.32 0.00 0.02 0.00 0.00 55.97 55.34 1o6x s LYS 41 Cb 0.00 -4.01 -0.21 0.00 -0.52 0.00 0.00 37.83 33.10 1o6x s LYS 41 CO 0.02 -1.26 2.62 -1.13 -0.92 0.00 0.00 175.35 174.68 1o6x n SER 42 N 6.84 0.50 0.00 2.83 3.41 -1.26 -4.37 113.62 121.58 1o6x n SER 42 Ca 0.00 0.19 0.10 0.00 -0.26 0.00 0.00 58.87 58.90 1o6x n SER 42 Cb 0.47 -0.97 0.58 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 8.42 0.75 -0.39 4.33 -0.04 -1.26 -4.07 135.00 142.74 1o6x n PRO 43 Ca 0.63 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.98 1o6x n PRO 43 Cb 0.06 -1.40 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.90 -0.64 -3.96 0.52 -1.04 -1.26 -4.45 114.28 102.55 1o6x n THR 44 Ca 0.15 2.27 -0.24 0.00 -2.04 0.00 0.00 64.05 64.19 1o6x n THR 44 Cb 0.07 -2.81 -0.03 0.00 -1.82 0.00 0.00 70.33 65.74 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 -5.46 5.27 0.16 12.58 -4.23 -1.26 -4.93 115.64 117.77 1o6x s THR 45 Ca -0.11 -0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1o6x s THR 45 Cb 0.10 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 70.20 1o6x s THR 45 CO 0.58 -0.20 0.17 -0.81 -0.54 0.00 0.00 174.62 173.83 1o6x n PRO 46 N -0.93 -0.75 -1.13 3.99 -0.04 -1.26 -4.11 135.00 130.77 1o6x n PRO 46 Ca -0.08 -0.27 -0.05 0.00 -0.04 0.00 0.00 63.50 63.06 1o6x n PRO 46 Cb 0.55 -0.22 -0.02 0.00 -0.04 0.00 0.00 33.50 33.78 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 2.60 0.48 2.81 0.55 0.00 -1.26 -4.93 105.19 105.45 1o6x n GLY 47 Ca 0.02 -0.03 -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 -2.24 0.38 0.57 1.61 4.04 -1.26 -5.11 118.70 116.69 1o6x s GLU 48 Ca 0.00 0.07 -0.14 0.00 0.04 0.00 0.00 54.97 54.94 1o6x s GLU 48 Cb 0.00 -0.58 -0.06 0.00 0.02 0.00 0.00 34.13 33.51 1o6x s GLU 48 CO 0.00 -0.16 1.01 0.95 -1.84 0.00 0.00 175.26 175.22 1o6x s THR 49 N 1.18 4.46 0.21 1.83 -4.23 -1.26 -4.37 115.64 113.45 1o6x s THR 49 Ca -0.08 1.04 0.10 0.00 -1.18 0.00 0.00 61.69 61.57 1o6x s THR 49 Cb -0.13 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1o6x s THR 49 CO -0.02 -0.81 -0.11 0.00 -0.54 0.00 0.00 174.62 173.14 1o6x s ALA 50 N -2.79 2.89 -0.34 3.99 0.00 -0.26 -4.40 121.76 120.86 1o6x s ALA 50 Ca 0.58 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1o6x s ALA 50 Cb -0.11 -0.63 0.15 0.00 0.00 0.00 0.00 23.12 22.53 1o6x s ALA 50 CO 0.40 0.41 0.35 -1.01 0.00 0.00 0.00 175.76 175.91 1o6x s HIS 51 N -1.87 -0.39 -0.01 0.00 3.76 -1.25 -1.12 115.29 114.41 1o6x s HIS 51 Ca 0.26 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.64 1o6x s HIS 51 Cb -0.08 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.16 1o6x s HIS 51 CO 0.15 -0.95 -0.04 0.54 -0.85 0.00 0.00 174.74 173.59 1o6x s VAL 52 N 1.80 3.88 -1.13 -0.90 0.11 -1.24 -0.92 120.40 122.01 1o6x s VAL 52 Ca 0.14 -0.66 -0.16 0.00 -2.93 0.00 0.00 61.98 58.37 1o6x s VAL 52 Cb -0.15 -2.70 0.15 0.00 -1.53 0.00 0.00 36.38 32.16 1o6x s VAL 52 CO -0.15 0.41 1.36 -0.13 -3.33 0.00 0.00 175.10 173.26 1o6x s ARG 53 N -1.41 3.93 0.27 1.54 0.52 -1.22 -3.02 118.95 119.57 1o6x s ARG 53 Ca 0.18 -2.29 -0.20 0.00 -0.52 0.00 0.00 55.73 52.90 1o6x s ARG 53 Cb -0.11 -5.05 -0.09 0.00 0.52 0.00 0.00 34.95 30.22 1o6x s ARG 53 CO 0.08 -1.80 0.77 0.54 0.02 0.00 0.00 175.30 174.91 1o6x s VAL 54 N 2.09 4.53 0.20 3.52 0.11 0.16 -4.64 120.40 126.36 1o6x s VAL 54 Ca 0.40 1.29 -0.30 0.00 -2.93 0.00 0.00 61.98 60.45 1o6x s VAL 54 Cb -0.03 -3.80 -0.08 0.00 -1.53 0.00 0.00 36.38 30.94 1o6x s VAL 54 CO -0.03 0.07 1.11 -2.16 -3.33 0.00 0.00 175.10 170.77 1o6x s PRO 55 N -2.30 4.59 0.31 1.54 0.04 -1.26 0.51 135.00 138.43 1o6x s PRO 55 Ca 0.48 1.75 0.08 0.00 0.04 0.00 0.00 61.00 63.35 1o6x s PRO 55 Cb -0.15 -3.26 0.84 0.00 0.04 0.00 0.00 34.50 31.97 1o6x s PRO 55 CO 0.20 0.08 1.74 0.35 0.04 0.00 0.00 177.00 179.41 1o6x h PHE 56 N 4.90 1.03 0.00 0.56 3.04 -1.83 2.07 116.94 126.71 1o6x h PHE 56 Ca -0.45 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1o6x h PHE 56 Cb 1.21 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1o6x h PHE 56 CO 0.62 0.12 0.00 -0.24 -2.02 0.00 0.00 178.31 176.79 1o6x h VAL 57 N 0.64 0.00 -0.05 1.41 3.04 -1.91 -0.96 116.25 118.41 1o6x h VAL 57 Ca 0.62 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1o6x h VAL 57 Cb 1.12 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1o6x h VAL 57 CO -0.44 0.00 0.00 -3.20 -1.01 0.00 0.00 177.57 172.92 1o6x n ASN 58 N -2.99 2.24 0.08 3.17 2.85 0.58 -4.58 115.26 116.61 1o6x n ASN 58 Ca -0.01 -2.21 -0.11 0.00 -0.11 0.00 0.00 54.58 52.14 1o6x n ASN 58 Cb 0.20 -0.12 -0.04 0.00 1.24 0.00 0.00 39.78 41.06 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 0.33 1.45 0.22 3.44 2.07 0.36 -2.88 116.25 121.24 1o6x h VAL 59 Ca 0.00 -2.57 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 1o6x h VAL 59 Cb 0.64 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 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 0.17 -0.28 -1.25 1.57 5.75 -1.81 0.38 115.11 119.63 1o6x h GLN 60 Ca -0.07 0.02 0.39 0.00 -0.15 0.00 0.00 58.65 58.85 1o6x h GLN 60 Cb 1.57 0.06 -0.12 0.00 1.07 0.00 0.00 27.48 30.07 1o6x h GLN 60 CO 0.15 -0.19 0.81 0.00 -2.65 0.00 0.00 178.83 176.95 1o6x h ALA 61 N -1.74 2.63 -0.11 3.38 0.00 -1.85 1.42 119.26 122.99 1o6x h ALA 61 Ca -0.03 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1o6x h ALA 61 Cb 0.23 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1o6x h ALA 61 CO 0.05 -1.20 -0.36 0.28 0.00 0.00 0.00 179.25 178.02 1o6x h VAL 62 N 0.15 1.39 -0.74 0.00 2.07 -1.43 -1.47 116.25 116.22 1o6x h VAL 62 Ca 0.76 -1.70 0.08 0.00 0.82 0.00 0.00 66.70 66.67 1o6x h VAL 62 Cb 2.32 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 34.22 1o6x h VAL 62 CO -0.38 0.50 0.49 0.50 0.02 0.00 0.00 177.57 178.69 1o6x h LYS 63 N 0.00 0.68 -0.08 1.57 3.64 0.61 0.15 116.57 123.14 1o6x h LYS 63 Ca -0.02 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 1o6x h LYS 63 Cb 0.99 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1o6x h LYS 63 CO 0.08 0.45 -0.70 0.28 -2.27 0.00 0.00 179.45 177.29 1o6x h VAL 64 N 0.70 1.38 0.38 2.00 2.07 -0.38 -3.01 116.25 119.38 1o6x h VAL 64 Ca 0.33 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 1o6x h VAL 64 Cb 0.39 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1o6x h VAL 64 CO -0.12 0.63 -0.18 0.15 0.02 0.00 0.00 177.57 178.07 1o6x h PHE 65 N 0.27 -0.47 -0.27 1.57 3.57 0.32 0.14 116.94 122.07 1o6x h PHE 65 Ca -0.02 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.52 1o6x h PHE 65 Cb 1.26 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 40.08 1o6x h PHE 65 CO 0.04 -0.22 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.41 1o6x h LEU 66 N -0.63 -1.35 -0.66 0.59 3.38 -1.07 0.34 115.31 115.91 1o6x h LEU 66 Ca -0.05 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1o6x h LEU 66 Cb 0.46 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1o6x h LEU 66 CO 0.08 -0.39 0.34 -0.33 0.09 0.00 0.00 178.44 178.23 1o6x h GLU 67 N -0.40 0.59 -0.78 1.13 4.39 -1.48 -0.59 114.58 117.43 1o6x h GLU 67 Ca 0.11 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.86 1o6x h GLU 67 Cb 0.60 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 1o6x h GLU 67 CO -0.48 0.39 0.44 0.66 -1.16 0.00 0.00 179.01 178.86 1o6x h SER 68 N 0.60 0.64 -0.08 1.42 4.64 0.13 0.49 113.55 121.39 1o6x h SER 68 Ca 0.31 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1o6x h SER 68 Cb 0.27 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1o6x h SER 68 CO -0.23 0.38 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1o6x n GLN 69 N -4.76 1.25 -3.92 4.77 10.64 0.10 -4.88 117.38 120.59 1o6x n GLN 69 Ca 0.12 -0.32 -0.28 0.00 -1.83 0.00 0.00 57.00 54.70 1o6x n GLN 69 Cb 0.25 -1.18 -0.01 0.00 -0.86 0.00 0.00 30.24 28.44 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 -0.39 3.86 2.61 0.00 0.17 -4.82 105.19 107.12 1o6x n GLY 70 Ca 0.03 0.22 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 1.81 -0.10 -0.61 2.07 -0.37 -5.01 121.20 115.13 1o6x s ILE 71 Ca 0.12 -1.56 -0.00 0.00 -1.41 0.00 0.00 60.65 57.79 1o6x s ILE 71 Cb -0.05 -2.38 0.02 0.00 0.13 0.00 0.00 42.46 40.19 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 -2.72 1.29 0.00 1.50 0.00 -1.26 -4.56 121.76 116.00 1o6x s ALA 72 Ca 0.34 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1o6x s ALA 72 Cb -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1o6x s ALA 72 CO 0.20 -0.33 0.00 2.48 0.00 0.00 0.00 175.76 178.11 1o6x n TYR 73 N 4.77 0.00 -3.66 0.00 4.11 -1.26 -1.10 117.16 120.01 1o6x n TYR 73 Ca -0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.69 1o6x n TYR 73 Cb 0.50 0.00 -0.02 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 -0.87 -0.30 -0.20 9.48 0.01 0.23 -4.94 113.70 117.10 1o6x s SER 74 Ca 0.00 -0.28 -0.11 0.00 1.31 0.00 0.00 55.95 56.87 1o6x s SER 74 Cb 0.00 0.53 -0.05 0.00 0.21 0.00 0.00 66.02 66.71 1o6x s SER 74 CO 0.00 -0.93 0.16 -0.63 0.41 0.00 0.00 173.24 172.26 1o6x s ILE 75 N -3.44 5.38 -0.04 1.44 1.01 -1.26 -0.32 121.20 123.96 1o6x s ILE 75 Ca 0.08 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 1o6x s ILE 75 Cb -0.02 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1o6x s ILE 75 CO -0.02 0.41 -0.08 0.80 0.00 0.00 0.00 174.94 176.06 1o6x n MET 76 N 3.67 0.13 -4.84 2.79 1.56 -1.23 -4.85 117.12 114.35 1o6x n MET 76 Ca -0.15 0.16 -0.31 0.00 -0.27 0.00 0.00 57.70 57.13 1o6x n MET 76 Cb 0.52 -0.85 -0.14 0.00 2.15 0.00 0.00 33.22 34.90 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 -1.44 2.61 0.00 1.12 1.10 -1.26 -5.07 121.20 118.27 1o6x s ILE 77 Ca -0.06 -1.13 0.00 0.00 -0.51 0.00 0.00 60.65 58.95 1o6x s ILE 77 Cb 0.01 -2.05 0.00 0.00 0.15 0.00 0.00 42.46 40.57 1o6x s ILE 77 CO 0.09 0.42 0.00 1.21 -2.11 0.00 0.00 174.94 174.56 1o6x n GLU 78 N 1.86 0.45 -2.71 3.50 2.13 -1.26 -3.97 120.64 120.64 1o6x n GLU 78 Ca -0.16 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.22 1o6x n GLU 78 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 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 5.23 -4.35 4.31 9.92 -1.26 -4.96 116.55 125.45 1o6x n ASP 79 Ca 0.00 -3.05 -0.53 0.00 -0.53 0.00 0.00 54.79 50.68 1o6x n ASP 79 Cb 0.00 -1.51 -0.13 0.00 -0.64 0.00 0.00 41.12 38.84 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 3.86 0.00 1.99 2.53 3.14 -1.26 -5.28 118.33 123.32 1o6x n VAL 80 Ca 0.37 -0.01 0.16 0.00 -2.96 0.00 0.00 64.34 61.90 1o6x n VAL 80 Cb 0.39 -0.55 0.94 0.00 -1.06 0.00 0.00 33.84 33.56 1o6x n VAL 80 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04