#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 2.89 0.84 0.03 1.70 -1.26 -5.10 118.95 118.05 1o6x s ARG 2 Ca 0.00 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.59 1o6x s ARG 2 Cb 0.00 -2.74 0.10 0.00 -0.57 0.00 0.00 34.95 31.74 1o6x s ARG 2 CO 0.00 0.63 1.10 0.45 -1.08 0.00 0.00 175.30 176.40 1o6x s SER 3 N -1.62 3.85 0.36 -2.89 0.15 -1.26 -5.06 113.70 107.23 1o6x s SER 3 Ca 0.21 1.77 0.08 0.00 0.70 0.00 0.00 55.95 58.71 1o6x s SER 3 Cb -0.12 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1o6x s SER 3 CO 0.11 -2.44 0.06 -1.48 1.20 0.00 0.00 173.24 170.69 1o6x s LEU 4 N -6.16 3.03 -0.10 3.45 2.34 -1.26 -5.13 118.68 114.85 1o6x s LEU 4 Ca 0.63 -1.02 -0.01 0.00 0.06 0.00 0.00 54.13 53.79 1o6x s LEU 4 Cb -0.18 -1.37 -0.03 0.00 -0.56 0.00 0.00 46.19 44.04 1o6x s LEU 4 CO 0.57 -0.32 -0.06 -0.70 -1.06 0.00 0.00 176.35 174.78 1o6x s GLU 5 N -3.77 3.11 0.33 1.48 2.12 -1.26 -5.12 118.70 115.59 1o6x s GLU 5 Ca 0.36 -0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.21 1o6x s GLU 5 Cb 0.01 -2.71 -0.07 0.00 0.26 0.00 0.00 34.13 31.63 1o6x s GLU 5 CO 0.20 0.50 0.02 0.95 -0.54 0.00 0.00 175.26 176.39 1o6x s THR 6 N -0.36 1.47 -0.23 -1.70 -4.23 -1.26 -5.16 115.64 104.17 1o6x s THR 6 Ca 0.05 -2.03 -0.32 0.00 -1.18 0.00 0.00 61.69 58.22 1o6x s THR 6 Cb -0.12 -2.75 0.16 0.00 1.34 0.00 0.00 72.50 71.12 1o6x s THR 6 CO 0.02 -0.07 1.24 0.72 -0.54 0.00 0.00 174.62 175.99 1o6x s PHE 7 N -3.11 -0.13 0.00 3.99 -0.12 -1.26 -5.18 117.98 112.17 1o6x s PHE 7 Ca 0.35 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 57.40 1o6x s PHE 7 Cb 0.08 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 1o6x s PHE 7 CO 0.15 -0.15 0.00 1.55 -0.05 0.00 0.00 175.22 176.72 1o6x n VAL 8 N 0.33 0.00 -3.62 -2.49 3.14 -1.26 -5.11 118.33 109.31 1o6x n VAL 8 Ca -0.02 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.09 1o6x n VAL 8 Cb 0.58 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.25 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 1.92 0.63 7.55 0.00 -1.26 -5.11 107.32 111.05 1o6x s GLY 9 Ca 0.00 -3.00 -0.00 0.00 0.00 0.00 0.00 44.72 41.72 1o6x s GLY 9 CO 0.00 1.66 0.88 0.51 0.00 0.00 0.00 173.10 176.15 1o6x s ASP 10 N -0.48 4.86 -0.22 1.64 1.47 -1.26 -2.20 116.67 120.48 1o6x s ASP 10 Ca 0.28 -0.12 -0.26 0.00 1.18 0.00 0.00 52.55 53.63 1o6x s ASP 10 Cb -0.03 -0.54 0.07 0.00 -0.34 0.00 0.00 42.92 42.08 1o6x s ASP 10 CO -0.16 -1.47 0.70 -1.58 0.68 0.00 0.00 175.17 173.34 1o6x s GLN 11 N -4.95 0.87 0.41 2.11 0.74 0.27 -4.71 119.66 114.41 1o6x s GLN 11 Ca 0.61 0.83 0.05 0.00 0.05 0.00 0.00 55.36 56.91 1o6x s GLN 11 Cb -0.08 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.45 1o6x s GLN 11 CO 0.41 -0.14 0.57 0.08 -0.55 0.00 0.00 175.29 175.66 1o6x s VAL 12 N 0.05 3.55 -0.02 1.34 1.01 -1.26 0.19 120.40 125.26 1o6x s VAL 12 Ca -0.02 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1o6x s VAL 12 Cb -0.04 -3.24 0.07 0.00 0.00 0.00 0.00 36.38 33.17 1o6x s VAL 12 CO 0.03 -0.12 0.65 -1.48 0.00 0.00 0.00 175.10 174.19 1o6x s LEU 13 N -4.37 -0.59 0.03 3.92 0.05 -1.13 -3.61 118.68 112.99 1o6x s LEU 13 Ca 0.50 0.60 -0.06 0.00 0.05 0.00 0.00 54.13 55.23 1o6x s LEU 13 Cb -0.10 2.50 -0.05 0.00 -2.05 0.00 0.00 46.19 46.49 1o6x s LEU 13 CO 0.34 -0.65 0.28 -0.70 -0.55 0.00 0.00 176.35 175.07 1o6x s GLU 14 N -1.53 3.57 0.00 1.48 2.12 0.14 -3.33 118.70 121.16 1o6x s GLU 14 Ca -0.10 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.14 1o6x s GLU 14 Cb -0.00 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 1o6x s GLU 14 CO 0.07 0.62 -0.07 0.42 -0.54 0.00 0.00 175.26 175.75 1o6x s ILE 15 N -1.37 0.58 -0.35 -3.70 1.01 -0.24 0.78 121.20 117.91 1o6x s ILE 15 Ca 0.30 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 1o6x s ILE 15 Cb -0.13 -0.51 0.12 0.00 0.01 0.00 0.00 42.46 41.95 1o6x s ILE 15 CO 0.19 0.11 0.16 -0.69 0.00 0.00 0.00 174.94 174.70 1o6x s VAL 16 N -0.29 0.77 0.68 2.92 1.01 -0.20 -1.21 120.40 124.08 1o6x s VAL 16 Ca 0.02 -1.69 -0.12 0.00 0.00 0.00 0.00 61.98 60.19 1o6x s VAL 16 Cb -0.04 -1.57 0.16 0.00 0.00 0.00 0.00 36.38 34.94 1o6x s VAL 16 CO -0.00 -0.80 0.75 -0.81 0.00 0.00 0.00 175.10 174.24 1o6x n PRO 17 N 4.40 -1.56 0.00 2.72 -0.04 -1.26 -4.21 135.00 135.05 1o6x n PRO 17 Ca 0.03 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1o6x n PRO 17 Cb 0.39 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 -3.84 0.00 -4.95 3.54 2.88 -1.26 -4.28 113.62 105.71 1o6x n SER 18 Ca 0.10 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.43 1o6x n SER 18 Cb 0.36 0.17 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.36 5.07 0.03 -3.46 0.01 -1.26 -4.87 114.94 109.09 1o6x s ASN 19 Ca 0.00 -0.84 -0.16 0.00 -0.71 0.00 0.00 52.86 51.15 1o6x s ASN 19 Cb 0.00 -0.12 -0.32 0.00 0.41 0.00 0.00 41.25 41.22 1o6x s ASN 19 CO 0.00 -0.97 1.03 -0.33 -1.51 0.00 0.00 177.10 175.33 1o6x h GLU 20 N 0.66 0.55 -0.29 -0.60 3.07 -1.99 -3.10 114.58 112.88 1o6x h GLU 20 Ca -0.37 -0.82 0.06 0.00 -0.50 0.00 0.00 59.36 57.73 1o6x h GLU 20 Cb 1.28 0.29 -0.06 0.00 -0.84 0.00 0.00 28.75 29.42 1o6x h GLU 20 CO 0.51 1.38 -0.10 1.49 -1.40 0.00 0.00 179.01 180.89 1o6x h GLU 21 N 0.13 -0.03 -0.82 2.33 4.57 -1.96 1.50 114.58 120.29 1o6x h GLU 21 Ca -0.21 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1o6x h GLU 21 Cb 1.96 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.51 1o6x h GLU 21 CO 0.24 -0.02 0.52 1.96 -1.18 0.00 0.00 179.01 180.52 1o6x h GLN 22 N -0.03 0.94 -0.24 1.92 4.20 -1.84 0.76 115.11 120.82 1o6x h GLN 22 Ca 0.15 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 1o6x h GLN 22 Cb 0.26 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1o6x h GLN 22 CO -0.32 0.62 -0.48 0.82 -0.67 0.00 0.00 178.83 178.80 1o6x h ILE 23 N 0.97 1.30 0.00 2.54 2.04 -1.12 -2.23 117.51 121.02 1o6x h ILE 23 Ca 0.34 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1o6x h ILE 23 Cb 0.09 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1o6x h ILE 23 CO -0.14 0.54 0.00 0.50 0.00 0.00 0.00 178.15 179.04 1o6x h LYS 24 N 0.50 0.00 0.27 2.37 3.64 0.32 -2.65 116.57 121.03 1o6x h LYS 24 Ca 0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1o6x h LYS 24 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1o6x h LYS 24 CO 0.10 0.00 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.18 1o6x h ASN 25 N 0.00 -0.31 0.10 4.20 -0.73 -0.27 -2.55 115.58 116.03 1o6x h ASN 25 Ca 0.00 -0.17 0.02 0.00 1.87 0.00 0.00 56.30 58.01 1o6x h ASN 25 Cb 0.31 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.93 1o6x h ASN 25 CO 0.00 0.18 -0.51 0.25 -0.37 0.00 0.00 177.43 176.99 1o6x h LEU 26 N -0.99 -1.52 -0.86 0.34 5.85 -1.42 0.33 115.31 117.05 1o6x h LEU 26 Ca -0.04 0.16 0.16 0.00 0.84 0.00 0.00 57.88 59.01 1o6x h LEU 26 Cb 0.46 0.57 -0.16 0.00 0.37 0.00 0.00 40.66 41.90 1o6x h LEU 26 CO 0.06 -0.54 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.28 1o6x h LEU 27 N -0.72 -1.00 -1.15 2.25 3.38 -1.59 1.61 115.31 118.07 1o6x h LEU 27 Ca 0.00 0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.34 1o6x h LEU 27 Cb 0.74 0.60 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 1o6x h LEU 27 CO -0.29 -0.29 0.59 -0.61 0.09 0.00 0.00 178.44 177.93 1o6x h GLN 28 N -0.02 0.90 0.46 1.13 -0.00 -0.79 0.41 115.11 117.19 1o6x h GLN 28 Ca 0.38 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.95 1o6x h GLN 28 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.90 1o6x h GLN 28 CO -0.89 0.59 -0.22 1.25 0.00 0.00 0.00 178.83 179.56 1o6x h LEU 29 N 0.92 -0.52 -1.13 -2.39 5.85 0.41 -2.99 115.31 115.47 1o6x h LEU 29 Ca 0.43 0.02 0.25 0.00 0.84 0.00 0.00 57.88 59.42 1o6x h LEU 29 Cb 0.42 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 1o6x h LEU 29 CO -0.19 -0.26 0.62 -0.08 -0.34 0.00 0.00 178.44 178.19 1o6x h GLU 30 N -0.84 0.51 -0.69 1.25 4.22 -0.07 0.34 114.58 119.30 1o6x h GLU 30 Ca -0.06 -0.03 0.14 0.00 0.08 0.00 0.00 59.36 59.49 1o6x h GLU 30 Cb 0.47 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.51 1o6x h GLU 30 CO 0.10 0.34 0.15 0.00 -2.18 0.00 0.00 179.01 177.42 1o6x h ALA 31 N 1.69 0.85 -1.32 2.92 0.00 -0.12 -3.38 119.26 119.90 1o6x h ALA 31 Ca 0.63 0.16 -0.47 0.00 0.00 0.00 0.00 54.91 55.23 1o6x h ALA 31 Cb 1.31 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1o6x h ALA 31 CO -0.41 -0.33 1.66 1.04 0.00 0.00 0.00 179.25 181.21 1o6x n GLN 32 N -5.15 0.86 -0.37 0.00 1.13 0.12 -4.80 117.38 109.16 1o6x n GLN 32 Ca 0.12 -0.01 -0.06 0.00 -1.94 0.00 0.00 57.00 55.11 1o6x n GLN 32 Cb 0.40 -3.11 -0.04 0.00 0.11 0.00 0.00 30.24 27.60 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 8.92 -0.32 -0.33 -1.09 2.13 -1.26 0.20 120.64 128.89 1o6x n GLU 33 Ca 0.42 1.38 0.23 0.00 0.66 0.00 0.00 57.16 59.85 1o6x n GLU 33 Cb 0.46 -2.04 0.43 0.00 0.27 0.00 0.00 31.44 30.57 1o6x n GLU 33 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1o6x h HIS 34 N 0.00 0.45 -1.82 4.31 3.86 -1.91 1.49 115.15 121.53 1o6x h HIS 34 Ca 0.21 0.05 -0.75 0.00 -1.16 0.00 0.00 60.37 58.72 1o6x h HIS 34 Cb 0.44 -0.03 -0.27 0.00 1.06 0.00 0.00 27.41 28.60 1o6x h HIS 34 CO -0.88 -0.41 1.02 1.28 0.86 0.00 0.00 177.93 179.80 1o6x n LEU 35 N -5.33 7.54 -3.37 2.43 4.77 0.54 -4.87 117.00 118.71 1o6x n LEU 35 Ca 0.30 -4.75 -0.31 0.00 -0.03 0.00 0.00 56.01 51.23 1o6x n LEU 35 Cb 1.00 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1o6x n LEU 35 CO -0.01 1.71 1.95 0.00 -1.33 0.00 0.00 177.39 179.71 1o6x n GLN 36 N -0.61 1.26 -2.65 3.23 6.02 0.51 -4.27 117.38 120.87 1o6x n GLN 36 Ca 0.55 -1.41 -0.34 0.00 -0.01 0.00 0.00 57.00 55.79 1o6x n GLN 36 Cb 0.31 -2.58 -0.05 0.00 1.02 0.00 0.00 30.24 28.94 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 0.49 3.97 -0.24 1.08 1.02 -1.26 -5.03 118.68 118.70 1o6x s LEU 37 Ca 0.45 1.87 -0.07 0.00 0.02 0.00 0.00 54.13 56.39 1o6x s LEU 37 Cb 0.11 -4.44 -0.03 0.00 0.02 0.00 0.00 46.19 41.84 1o6x s LEU 37 CO 0.09 -0.54 0.07 -1.81 0.02 0.00 0.00 176.35 174.18 1o6x s ASP 38 N -1.94 5.24 -0.16 2.29 1.01 -1.26 -4.90 116.67 116.95 1o6x s ASP 38 Ca 0.63 -0.15 -0.19 0.00 0.71 0.00 0.00 52.55 53.54 1o6x s ASP 38 Cb -0.15 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 1o6x s ASP 38 CO 0.19 -0.00 0.52 -0.36 0.21 0.00 0.00 175.17 175.74 1o6x s PHE 39 N 1.41 3.44 0.02 4.23 0.08 -1.26 -4.02 117.98 121.88 1o6x s PHE 39 Ca 0.05 0.86 -0.24 0.00 0.12 0.00 0.00 56.93 57.73 1o6x s PHE 39 Cb -0.15 -2.65 -0.13 0.00 -0.57 0.00 0.00 43.02 39.53 1o6x s PHE 39 CO 0.04 0.00 1.17 -1.49 -0.10 0.00 0.00 175.22 174.84 1o6x h TRP 40 N 7.14 -0.79 -3.60 0.36 4.06 -1.81 -3.40 115.95 117.91 1o6x h TRP 40 Ca -0.37 -0.02 -0.70 0.00 2.06 0.00 0.00 58.89 59.86 1o6x h TRP 40 Cb 1.16 0.26 -0.25 0.00 -1.00 0.00 0.00 29.16 29.34 1o6x h TRP 40 CO 0.67 -0.49 -0.53 0.15 -3.56 0.00 0.00 178.44 174.67 1o6x s LYS 41 N -4.57 2.84 -0.89 0.49 1.02 -1.26 -4.95 119.74 112.41 1o6x s LYS 41 Ca -0.12 -1.06 -0.32 0.00 0.02 0.00 0.00 55.97 54.48 1o6x s LYS 41 Cb 0.01 -3.68 -0.20 0.00 -0.52 0.00 0.00 37.83 33.44 1o6x s LYS 41 CO 0.37 -0.67 2.61 -1.13 -0.92 0.00 0.00 175.35 175.61 1o6x n SER 42 N 4.97 0.53 0.00 2.83 3.41 -1.26 -4.48 113.62 119.62 1o6x n SER 42 Ca -0.12 0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.79 1o6x n SER 42 Cb 0.46 -0.98 0.68 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.62 4.33 -0.04 -1.26 -3.90 135.00 142.68 1o6x n PRO 43 Ca 0.62 0.00 0.47 0.00 -0.04 0.00 0.00 63.50 64.55 1o6x n PRO 43 Cb 0.07 -1.48 0.73 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.98 -0.03 -4.32 0.52 -1.04 -1.26 -4.23 114.28 102.94 1o6x n THR 44 Ca 0.17 1.39 -0.22 0.00 -2.04 0.00 0.00 64.05 63.35 1o6x n THR 44 Cb 0.08 -2.32 -0.11 0.00 -1.82 0.00 0.00 70.33 66.16 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 -4.74 1.77 0.44 12.58 -4.23 -1.25 -4.96 115.64 115.25 1o6x s THR 45 Ca -0.05 -1.82 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1o6x s THR 45 Cb 0.25 -1.76 0.11 0.00 1.34 0.00 0.00 72.50 72.43 1o6x s THR 45 CO 0.80 -0.26 0.48 -0.81 -0.54 0.00 0.00 174.62 174.30 1o6x n PRO 46 N 0.49 -1.18 -1.22 3.99 -0.04 -1.26 -4.04 135.00 131.74 1o6x n PRO 46 Ca -0.15 -0.76 -0.08 0.00 -0.04 0.00 0.00 63.50 62.48 1o6x n PRO 46 Cb 0.56 -0.60 -0.03 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.58 0.73 2.85 0.55 0.00 -1.26 -4.92 105.19 103.71 1o6x n GLY 47 Ca 0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.62 1.02 0.30 1.61 2.02 -1.26 -5.10 118.70 114.67 1o6x s GLU 48 Ca 0.00 -0.08 -0.28 0.00 0.02 0.00 0.00 54.97 54.63 1o6x s GLU 48 Cb 0.00 -1.18 -0.09 0.00 0.10 0.00 0.00 34.13 32.96 1o6x s GLU 48 CO 0.00 -0.23 1.08 0.95 0.02 0.00 0.00 175.26 177.07 1o6x s THR 49 N 1.63 3.58 0.19 3.63 -4.23 -1.26 -4.50 115.64 114.68 1o6x s THR 49 Ca 0.01 1.50 0.09 0.00 -1.18 0.00 0.00 61.69 62.12 1o6x s THR 49 Cb -0.13 -3.92 -0.04 0.00 1.34 0.00 0.00 72.50 69.75 1o6x s THR 49 CO -0.05 0.29 -0.10 0.00 -0.54 0.00 0.00 174.62 174.22 1o6x s ALA 50 N -1.28 2.94 -0.30 3.99 0.00 -0.35 -4.41 121.76 122.35 1o6x s ALA 50 Ca 0.47 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1o6x s ALA 50 Cb -0.29 -0.71 0.15 0.00 0.00 0.00 0.00 23.12 22.27 1o6x s ALA 50 CO 0.37 0.45 0.38 -1.01 0.00 0.00 0.00 175.76 175.95 1o6x s HIS 51 N -1.76 -0.83 0.03 0.00 3.76 -1.25 -1.08 115.29 114.15 1o6x s HIS 51 Ca 0.25 0.11 0.06 0.00 -0.15 0.00 0.00 55.06 55.33 1o6x s HIS 51 Cb -0.08 -0.24 -0.03 0.00 1.11 0.00 0.00 32.58 33.33 1o6x s HIS 51 CO 0.15 -0.97 -0.14 0.54 -0.85 0.00 0.00 174.74 173.46 1o6x s VAL 52 N 2.40 3.06 -1.04 -0.90 0.11 -1.21 -2.13 120.40 120.69 1o6x s VAL 52 Ca 0.10 -1.04 -0.20 0.00 -2.93 0.00 0.00 61.98 57.92 1o6x s VAL 52 Cb -0.13 -2.30 0.10 0.00 -1.53 0.00 0.00 36.38 32.52 1o6x s VAL 52 CO -0.29 0.37 1.37 -0.13 -3.33 0.00 0.00 175.10 173.09 1o6x s ARG 53 N -1.40 3.70 0.23 1.54 0.52 -1.26 -2.82 118.95 119.46 1o6x s ARG 53 Ca 0.15 -1.63 -0.22 0.00 -0.52 0.00 0.00 55.73 53.51 1o6x s ARG 53 Cb -0.11 -5.19 -0.08 0.00 0.52 0.00 0.00 34.95 30.09 1o6x s ARG 53 CO 0.06 -2.01 0.77 0.08 0.02 0.00 0.00 175.30 174.22 1o6x s VAL 54 N 3.66 4.47 0.17 3.52 1.01 0.50 -4.64 120.40 129.09 1o6x s VAL 54 Ca 0.42 1.45 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 1o6x s VAL 54 Cb -0.02 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1o6x s VAL 54 CO -0.06 0.26 1.12 -2.16 0.00 0.00 0.00 175.10 174.25 1o6x s PRO 55 N -1.83 4.57 0.33 2.72 0.04 -1.26 0.98 135.00 140.54 1o6x s PRO 55 Ca 0.43 1.74 0.11 0.00 0.04 0.00 0.00 61.00 63.32 1o6x s PRO 55 Cb -0.18 -3.28 0.91 0.00 0.04 0.00 0.00 34.50 31.99 1o6x s PRO 55 CO 0.22 0.03 1.75 0.35 0.04 0.00 0.00 177.00 179.39 1o6x h PHE 56 N 5.23 0.95 0.00 0.56 3.04 -1.72 2.17 116.94 127.17 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 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 39.45 1o6x h PHE 56 CO 0.63 0.09 -0.01 -0.24 -2.02 0.00 0.00 178.31 176.76 1o6x h VAL 57 N 0.57 0.04 -0.09 1.41 3.04 -1.92 -1.19 116.25 118.12 1o6x h VAL 57 Ca 0.62 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1o6x h VAL 57 Cb 1.23 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 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 5.15 0.61 -4.55 115.26 118.96 1o6x n ASN 58 Ca -0.01 -2.20 -0.04 0.00 -0.60 0.00 0.00 54.58 51.73 1o6x n ASN 58 Cb 0.21 -0.13 0.03 0.00 -0.53 0.00 0.00 39.78 39.36 1o6x n ASN 58 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1o6x h VAL 59 N 0.51 1.57 0.22 3.44 2.07 0.34 -2.66 116.25 121.75 1o6x h VAL 59 Ca 0.00 -2.76 -0.01 0.00 0.82 0.00 0.00 66.70 64.75 1o6x h VAL 59 Cb 0.66 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1o6x h VAL 59 CO 0.01 0.79 -0.11 -0.61 0.02 0.00 0.00 177.57 177.67 1o6x h GLN 60 N 0.00 -0.29 -1.12 1.57 5.75 -1.80 0.26 115.11 119.49 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 1.43 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.96 1o6x h GLN 60 CO 0.10 -0.19 0.75 0.00 -2.65 0.00 0.00 178.83 176.84 1o6x h ALA 61 N -1.36 2.59 0.04 3.38 0.00 -1.84 0.75 119.26 122.82 1o6x h ALA 61 Ca -0.03 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 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 -0.99 -0.75 0.28 0.00 0.00 0.00 179.25 177.84 1o6x h VAL 62 N 0.23 1.41 -0.40 0.00 2.07 -1.50 -1.79 116.25 116.27 1o6x h VAL 62 Ca 0.61 -2.21 0.02 0.00 0.82 0.00 0.00 66.70 65.94 1o6x h VAL 62 Cb 1.87 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 34.31 1o6x h VAL 62 CO -0.21 0.65 0.26 0.11 0.02 0.00 0.00 177.57 178.40 1o6x h LYS 63 N -0.06 0.43 0.01 1.57 1.57 0.39 0.34 116.57 120.81 1o6x h LYS 63 Ca -0.10 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.44 1o6x h LYS 63 Cb 1.47 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1o6x h LYS 63 CO 0.15 0.29 -0.92 0.28 -0.57 0.00 0.00 179.45 178.68 1o6x h VAL 64 N 0.45 1.46 0.57 0.50 2.07 0.09 -3.13 116.25 118.26 1o6x h VAL 64 Ca 0.16 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 1o6x h VAL 64 Cb 0.08 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1o6x h VAL 64 CO -0.04 0.76 -0.27 0.15 0.02 0.00 0.00 177.57 178.19 1o6x h PHE 65 N 0.15 -0.71 -0.54 1.57 3.57 -0.10 0.13 116.94 121.01 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 0.24 -0.11 0.00 2.79 0.00 0.00 35.95 40.42 1o6x h PHE 65 CO 0.04 -0.38 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.28 1o6x h LEU 66 N -0.95 -1.34 -0.48 0.59 3.38 -1.14 0.54 115.31 115.92 1o6x h LEU 66 Ca -0.08 0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1o6x h LEU 66 Cb 0.65 0.62 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1o6x h LEU 66 CO 0.13 -0.33 0.23 -0.33 0.09 0.00 0.00 178.44 178.23 1o6x h GLU 67 N -0.22 0.45 -0.72 1.13 4.39 -1.51 0.03 114.58 118.12 1o6x h GLU 67 Ca 0.19 -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 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 1o6x h GLU 67 CO -0.66 0.30 0.36 0.66 -1.16 0.00 0.00 179.01 178.51 1o6x h SER 68 N 0.46 0.47 0.00 1.42 4.64 0.21 0.65 113.55 121.41 1o6x h SER 68 Ca 0.21 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1o6x h SER 68 Cb 0.13 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1o6x h SER 68 CO -0.15 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 1o6x n GLN 69 N -4.86 1.00 -3.77 4.77 10.64 0.16 -4.88 117.38 120.44 1o6x n GLN 69 Ca 0.11 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 55.04 1o6x n GLN 69 Cb 0.28 -1.11 0.02 0.00 -0.86 0.00 0.00 30.24 28.57 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 0.61 -0.44 3.89 2.61 0.00 0.23 -4.69 105.19 107.40 1o6x n GLY 70 Ca 0.05 0.21 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.72 1.68 -0.12 -0.61 2.07 -0.11 -5.01 121.20 115.38 1o6x s ILE 71 Ca 0.11 -1.53 -0.00 0.00 -1.41 0.00 0.00 60.65 57.82 1o6x s ILE 71 Cb -0.04 -2.21 0.02 0.00 0.13 0.00 0.00 42.46 40.37 1o6x s ILE 71 CO 0.85 0.00 -0.10 0.00 -1.91 0.00 0.00 174.94 173.78 1o6x s ALA 72 N -2.76 1.46 0.00 1.50 0.00 -1.26 -4.60 121.76 116.10 1o6x s ALA 72 Ca 0.33 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1o6x s ALA 72 Cb -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1o6x s ALA 72 CO 0.20 -0.37 0.00 2.48 0.00 0.00 0.00 175.76 178.08 1o6x n TYR 73 N 4.81 0.00 -3.45 0.00 4.11 -1.26 -1.03 117.16 120.35 1o6x n TYR 73 Ca -0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.63 1o6x n TYR 73 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.81 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 -0.91 -0.57 -0.41 9.48 0.15 0.23 -4.91 113.70 116.76 1o6x s SER 74 Ca 0.00 0.14 -0.16 0.00 0.70 0.00 0.00 55.95 56.63 1o6x s SER 74 Cb 0.00 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 1o6x s SER 74 CO 0.00 -0.86 0.33 -0.63 1.20 0.00 0.00 173.24 173.28 1o6x s ILE 75 N -3.19 5.22 -0.01 6.45 1.09 -1.26 0.26 121.20 129.76 1o6x s ILE 75 Ca -0.01 -0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 58.94 1o6x s ILE 75 Cb -0.01 -3.95 -0.01 0.00 -1.06 0.00 0.00 42.46 37.43 1o6x s ILE 75 CO -0.08 -0.33 0.20 -0.03 -0.10 0.00 0.00 174.94 174.59 1o6x h MET 76 N 8.65 -0.04 -6.57 2.79 4.05 -1.90 -3.48 114.93 118.45 1o6x h MET 76 Ca -0.27 0.00 -0.65 0.00 -0.28 0.00 0.00 59.70 58.51 1o6x h MET 76 Cb 1.12 0.01 -0.17 0.00 -0.80 0.00 0.00 31.60 31.76 1o6x h MET 76 CO 0.74 -0.03 -0.77 -1.50 0.23 0.00 0.00 176.91 175.59 1o6x s ILE 77 N -1.52 2.88 0.00 1.77 2.07 -1.25 -5.06 121.20 120.08 1o6x s ILE 77 Ca -0.01 -1.71 0.00 0.00 -1.41 0.00 0.00 60.65 57.53 1o6x s ILE 77 Cb 0.00 -2.39 0.00 0.00 0.13 0.00 0.00 42.46 40.20 1o6x s ILE 77 CO 0.02 -0.05 0.00 1.21 -1.91 0.00 0.00 174.94 174.21 1o6x n GLU 78 N 0.31 0.00 -2.39 3.50 2.13 -1.26 -4.21 120.64 118.73 1o6x n GLU 78 Ca -0.13 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.27 1o6x n GLU 78 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 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 4.83 -4.34 4.31 9.92 -1.26 -4.94 116.55 125.07 1o6x n ASP 79 Ca 0.00 -2.99 -0.53 0.00 -0.53 0.00 0.00 54.79 50.74 1o6x n ASP 79 Cb 0.00 -1.58 -0.13 0.00 -0.64 0.00 0.00 41.12 38.77 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 4.46 0.00 0.00 2.53 3.14 -1.26 -5.33 118.33 121.88 1o6x n VAL 80 Ca 0.43 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.80 1o6x n VAL 80 Cb 0.40 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.63 1o6x n VAL 80 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37