#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om2 n ALA 2 N 0.00 0.48 0.00 7.54 0.00 -1.26 -5.12 120.51 122.15 1om2 n ALA 2 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1om2 n ALA 2 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1om2 n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1om2 n GLY 3 N 1.01 1.23 3.48 0.00 0.00 -1.26 -5.18 105.19 104.47 1om2 n GLY 3 Ca 0.15 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1om2 n GLY 3 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1om2 s LEU 4 N 0.00 -0.38 0.00 0.99 1.98 -1.26 -5.06 118.68 114.95 1om2 s LEU 4 Ca 0.00 0.77 0.02 0.00 -2.89 0.00 0.00 54.13 52.02 1om2 s LEU 4 Cb 0.00 2.26 0.09 0.00 0.66 0.00 0.00 46.19 49.21 1om2 s LEU 4 CO 0.00 -0.49 0.70 -1.20 -1.89 0.00 0.00 176.35 173.47 1om2 n SER 5 N 1.42 0.00 -4.40 3.68 7.64 -1.26 -4.39 113.62 116.31 1om2 n SER 5 Ca -0.18 -1.21 -0.44 0.00 1.01 0.00 0.00 58.87 58.05 1om2 n SER 5 Cb 0.56 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 1om2 n SER 5 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1om2 s LYS 6 N -2.00 3.07 -1.19 1.43 -0.14 -1.26 -4.57 119.74 115.07 1om2 s LYS 6 Ca 0.02 -1.18 -0.14 0.00 -1.36 0.00 0.00 55.97 53.32 1om2 s LYS 6 Cb 0.01 -4.23 -0.01 0.00 -1.68 0.00 0.00 37.83 31.92 1om2 s LYS 6 CO 0.02 -1.52 0.74 1.28 -0.76 0.00 0.00 175.35 175.11 1om2 n LEU 7 N 6.48 -3.03 0.09 3.17 4.77 -1.26 -4.95 117.00 122.27 1om2 n LEU 7 Ca -0.08 -0.96 -0.12 0.00 -0.03 0.00 0.00 56.01 54.81 1om2 n LEU 7 Cb 0.43 -2.48 -0.08 0.00 -2.33 0.00 0.00 43.42 38.96 1om2 n LEU 7 CO 0.58 0.43 0.52 1.55 -1.33 0.00 0.00 177.39 179.14 1om2 h PRO 8 N -1.81 -0.25 0.00 3.23 0.13 -1.81 -3.40 132.00 128.09 1om2 h PRO 8 Ca -0.65 0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 64.21 1om2 h PRO 8 Cb 1.36 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.50 1om2 h PRO 8 CO 0.51 0.14 -1.79 -3.47 -0.23 0.00 0.00 178.00 173.16 1om2 n ASP 9 N -5.00 1.92 0.00 1.44 2.03 -1.26 -5.00 116.55 110.67 1om2 n ASP 9 Ca -0.09 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1om2 n ASP 9 Cb 0.26 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 1om2 n ASP 9 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1om2 n LEU 10 N -4.36 0.00 0.08 -2.67 4.77 -1.26 -4.69 117.00 108.87 1om2 n LEU 10 Ca -0.38 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.44 1om2 n LEU 10 Cb 0.72 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.73 1om2 n LEU 10 CO 0.11 0.00 0.10 0.11 -1.33 0.00 0.00 177.39 176.37 1om2 h LYS 11 N 0.31 0.41 -6.83 3.23 1.79 -1.98 -3.45 116.57 110.04 1om2 h LYS 11 Ca 0.00 -0.50 -0.48 0.00 -2.18 0.00 0.00 60.65 57.49 1om2 h LYS 11 Cb 0.00 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1om2 h LYS 11 CO 0.00 1.17 0.36 -0.51 -1.08 0.00 0.00 179.45 179.38 1om2 s ASP 12 N -7.14 7.43 -0.03 0.86 1.01 -1.26 -4.99 116.67 112.56 1om2 s ASP 12 Ca -0.06 1.91 -0.24 0.00 0.71 0.00 0.00 52.55 54.87 1om2 s ASP 12 Cb 0.08 -2.59 -0.21 0.00 1.01 0.00 0.00 42.92 41.21 1om2 s ASP 12 CO 0.88 0.00 1.15 0.00 0.21 0.00 0.00 175.17 177.41 1om2 h ALA 13 N 3.55 0.07 -0.90 5.23 0.00 -1.99 -3.02 119.26 122.20 1om2 h ALA 13 Ca -0.46 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.13 1om2 h ALA 13 Cb 1.20 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1om2 h ALA 13 CO 0.66 -0.00 0.59 1.05 0.00 0.00 0.00 179.25 181.55 1om2 h GLU 14 N -0.40 1.03 0.00 0.00 4.11 -1.98 0.37 114.58 117.70 1om2 h GLU 14 Ca -0.01 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.32 1om2 h GLU 14 Cb 0.79 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1om2 h GLU 14 CO 0.03 0.68 -0.20 0.00 0.07 0.00 0.00 179.01 179.59 1om2 h ALA 15 N 1.50 1.14 0.07 1.06 0.00 -1.98 -0.70 119.26 120.36 1om2 h ALA 15 Ca 0.38 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 1om2 h ALA 15 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1om2 h ALA 15 CO -0.13 0.25 -1.65 0.28 0.00 0.00 0.00 179.25 177.99 1om2 h VAL 16 N 0.00 0.97 -0.29 0.00 2.07 -0.95 -3.21 116.25 114.84 1om2 h VAL 16 Ca -0.00 -2.71 -0.03 0.00 0.82 0.00 0.00 66.70 64.77 1om2 h VAL 16 Cb 0.58 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1om2 h VAL 16 CO 0.03 0.73 0.06 -0.61 0.02 0.00 0.00 177.57 177.80 1om2 h GLN 17 N 0.04 0.47 -0.65 1.57 5.75 0.12 0.13 115.11 122.54 1om2 h GLN 17 Ca -0.28 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.11 1om2 h GLN 17 Cb 2.00 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 30.46 1om2 h GLN 17 CO 0.12 0.56 0.43 1.57 -2.65 0.00 0.00 178.83 178.86 1om2 h LYS 18 N 0.30 0.85 -0.17 1.69 2.10 -1.27 -0.82 116.57 119.25 1om2 h LYS 18 Ca 0.09 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.65 1om2 h LYS 18 Cb 0.31 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1om2 h LYS 18 CO 0.00 0.56 -0.04 0.35 -2.00 0.00 0.00 179.45 178.33 1om2 h PHE 19 N 0.88 0.36 -0.18 0.07 3.04 -1.52 0.55 116.94 120.15 1om2 h PHE 19 Ca 0.24 -0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.16 1om2 h PHE 19 Cb -0.09 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.27 1om2 h PHE 19 CO -0.03 0.59 -0.15 0.35 -2.02 0.00 0.00 178.31 177.05 1om2 h PHE 20 N 0.04 -0.37 -0.46 0.41 3.57 -0.51 0.59 116.94 120.21 1om2 h PHE 20 Ca 0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1om2 h PHE 20 Cb 0.47 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1om2 h PHE 20 CO 0.05 -0.22 0.07 -0.07 -2.23 0.00 0.00 178.31 175.91 1om2 h LEU 21 N -0.16 0.67 -1.65 0.59 3.38 -1.15 -0.58 115.31 116.41 1om2 h LEU 21 Ca 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1om2 h LEU 21 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1om2 h LEU 21 CO -0.27 0.70 0.15 -0.08 0.09 0.00 0.00 178.44 179.03 1om2 h GLU 22 N 0.69 0.39 0.06 1.13 4.81 0.10 0.68 114.58 122.43 1om2 h GLU 22 Ca 0.15 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1om2 h GLU 22 Cb 0.33 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.64 1om2 h GLU 22 CO 0.01 0.29 -0.51 0.93 -0.73 0.00 0.00 179.01 179.00 1om2 h GLU 23 N 0.39 0.24 -0.34 1.92 3.07 -0.16 0.14 114.58 119.86 1om2 h GLU 23 Ca 0.10 -0.34 0.07 0.00 -0.50 0.00 0.00 59.36 58.70 1om2 h GLU 23 Cb 0.02 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 27.97 1om2 h GLU 23 CO -0.02 1.10 -0.14 0.82 -1.40 0.00 0.00 179.01 179.37 1om2 h ILE 24 N -0.45 0.54 -0.13 3.13 2.04 -0.86 0.03 117.51 121.80 1om2 h ILE 24 Ca -0.08 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.58 1om2 h ILE 24 Cb 1.33 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1om2 h ILE 24 CO 0.10 0.00 -0.70 0.06 0.00 0.00 0.00 178.15 177.60 1om2 h GLN 25 N -0.08 0.71 -0.16 2.37 3.07 -0.93 -2.19 115.11 117.90 1om2 h GLN 25 Ca 0.17 -0.59 0.02 0.00 0.09 0.00 0.00 58.65 58.34 1om2 h GLN 25 Cb 0.34 0.12 -0.02 0.00 0.08 0.00 0.00 27.48 28.01 1om2 h GLN 25 CO -0.39 1.20 0.04 1.25 0.09 0.00 0.00 178.83 181.01 1om2 h LEU 26 N 0.41 0.02 0.46 0.06 7.12 -0.51 0.15 115.31 123.02 1om2 h LEU 26 Ca -0.05 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.96 1om2 h LEU 26 Cb 1.34 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.49 1om2 h LEU 26 CO 0.15 0.04 -0.30 1.23 -0.13 0.00 0.00 178.44 179.42 1om2 h GLY 27 N 0.11 -0.96 0.13 3.75 0.00 -1.03 0.14 103.07 105.21 1om2 h GLY 27 Ca 0.07 0.40 0.23 0.00 0.00 0.00 0.00 47.33 48.03 1om2 h GLY 27 CO -0.09 -0.32 0.64 0.83 0.00 0.00 0.00 176.54 177.60 1om2 h GLU 28 N -0.72 0.34 -0.32 4.80 3.07 -1.25 0.82 114.58 121.32 1om2 h GLU 28 Ca -0.06 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.65 1om2 h GLU 28 Cb 0.58 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1om2 h GLU 28 CO 0.05 0.23 -0.31 1.49 -1.40 0.00 0.00 179.01 179.07 1om2 h GLU 29 N 0.35 0.78 -0.67 2.33 4.81 -0.36 0.96 114.58 122.79 1om2 h GLU 29 Ca 0.51 -0.41 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1om2 h GLU 29 Cb 1.37 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1om2 h GLU 29 CO -0.19 1.04 0.12 -0.07 -0.73 0.00 0.00 179.01 179.17 1om2 h LEU 30 N 0.55 1.04 -1.24 1.64 3.38 0.14 -1.55 115.31 119.28 1om2 h LEU 30 Ca 0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1om2 h LEU 30 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1om2 h LEU 30 CO 0.08 1.02 -0.26 -0.07 0.09 0.00 0.00 178.44 179.30 1om2 h LEU 31 N 1.02 0.18 -2.56 1.67 4.07 -0.81 0.18 115.31 119.06 1om2 h LEU 31 Ca 0.20 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.12 1om2 h LEU 31 Cb 0.42 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 1om2 h LEU 31 CO 0.01 0.45 0.08 0.00 -1.08 0.00 0.00 178.44 177.90 1om2 h ALA 32 N 1.56 1.38 0.07 1.53 0.00 0.22 0.24 119.26 124.27 1om2 h ALA 32 Ca 0.03 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 1om2 h ALA 32 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1om2 h ALA 32 CO 0.04 -0.10 -1.95 0.94 0.00 0.00 0.00 179.25 178.19 1om2 n GLN 33 N -3.47 0.71 0.00 0.00 7.27 0.21 -5.00 117.38 117.10 1om2 n GLN 33 Ca -0.02 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.31 1om2 n GLN 33 Cb 0.16 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.09 1om2 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1om2 n GLY 34 N 1.86 0.62 2.37 1.69 0.00 0.38 -5.07 105.19 107.04 1om2 n GLY 34 Ca -0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 1om2 n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1om2 n ASP 35 N 0.00 8.29 -0.34 1.61 -0.08 -0.33 -4.69 116.55 121.01 1om2 n ASP 35 Ca 0.00 -2.81 0.22 0.00 -1.51 0.00 0.00 54.79 50.70 1om2 n ASP 35 Cb 0.00 -1.47 0.48 0.00 2.34 0.00 0.00 41.12 42.47 1om2 n ASP 35 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1om2 h TYR 36 N 4.70 0.79 -0.08 -0.67 -1.99 -1.89 1.00 116.97 118.83 1om2 h TYR 36 Ca 0.77 0.03 0.02 0.00 2.00 0.00 0.00 58.73 61.55 1om2 h TYR 36 Cb 0.35 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 1om2 h TYR 36 CO 1.76 0.02 -0.06 1.49 -0.00 0.00 0.00 178.16 181.38 1om2 h GLU 37 N 0.42 -0.06 -0.10 4.88 4.22 -1.99 -2.29 114.58 119.66 1om2 h GLU 37 Ca 0.64 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.98 1om2 h GLU 37 Cb 1.52 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1om2 h GLU 37 CO -0.39 -0.04 -0.42 0.87 -2.18 0.00 0.00 179.01 176.85 1om2 h LYS 38 N -0.06 0.22 -0.90 1.92 1.79 -1.25 -2.94 116.57 115.34 1om2 h LYS 38 Ca 0.05 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.48 1om2 h LYS 38 Cb 0.14 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 1om2 h LYS 38 CO -0.12 0.61 0.59 0.78 -1.08 0.00 0.00 179.45 180.23 1om2 h GLY 39 N 1.24 1.32 1.00 3.86 0.00 -0.65 -0.03 103.07 109.80 1om2 h GLY 39 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1om2 h GLY 39 CO 0.06 0.31 0.13 -2.08 0.00 0.00 0.00 176.54 174.96 1om2 h VAL 40 N 1.04 1.05 0.34 4.60 2.07 -1.29 0.13 116.25 124.19 1om2 h VAL 40 Ca 0.39 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.79 1om2 h VAL 40 Cb 0.18 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1om2 h VAL 40 CO -0.14 0.05 -0.16 -0.78 0.02 0.00 0.00 177.57 176.56 1om2 h ASP 41 N 0.26 -0.38 -0.15 0.57 3.58 -1.37 0.15 116.42 119.07 1om2 h ASP 41 Ca 0.07 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 1om2 h ASP 41 Cb -0.02 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1om2 h ASP 41 CO -0.02 -0.22 -0.05 0.45 -2.88 0.00 0.00 179.24 176.53 1om2 h HIS 42 N -0.52 0.45 -0.09 0.28 3.86 -0.97 -0.51 115.15 117.64 1om2 h HIS 42 Ca -0.05 -0.05 -0.18 0.00 -1.16 0.00 0.00 60.37 58.94 1om2 h HIS 42 Cb 0.39 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.74 1om2 h HIS 42 CO -0.04 0.48 -0.63 1.25 0.86 0.00 0.00 177.93 179.85 1om2 h LEU 43 N 0.41 0.71 -1.17 2.43 5.85 -0.62 -2.47 115.31 120.46 1om2 h LEU 43 Ca 0.09 -0.67 0.16 0.00 0.84 0.00 0.00 57.88 58.31 1om2 h LEU 43 Cb 0.35 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 1om2 h LEU 43 CO 0.01 1.27 0.61 0.74 -0.34 0.00 0.00 178.44 180.73 1om2 h THR 44 N 0.21 0.78 -0.47 1.05 2.02 -0.00 0.12 112.91 116.63 1om2 h THR 44 Ca -0.05 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 1om2 h THR 44 Cb 1.29 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1om2 h THR 44 CO 0.13 0.13 0.03 0.78 0.37 0.00 0.00 175.52 176.96 1om2 h ASN 45 N 0.74 0.79 -0.48 4.18 2.35 -1.02 -0.41 115.58 121.73 1om2 h ASN 45 Ca 0.51 -0.29 0.08 0.00 -0.55 0.00 0.00 56.30 56.04 1om2 h ASN 45 Cb 0.81 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.90 1om2 h ASN 45 CO -0.27 0.89 0.11 0.00 -1.65 0.00 0.00 177.43 176.50 1om2 h ALA 46 N 0.93 0.54 -0.47 -0.83 0.00 -0.31 -0.35 119.26 118.77 1om2 h ALA 46 Ca 0.14 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1om2 h ALA 46 Cb 0.47 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1om2 h ALA 46 CO 0.02 -0.30 0.10 0.82 0.00 0.00 0.00 179.25 179.90 1om2 h ILE 47 N 0.25 1.21 0.00 0.00 5.03 -0.89 -0.22 117.51 122.88 1om2 h ILE 47 Ca 0.24 -0.76 -0.05 0.00 -0.12 0.00 0.00 64.86 64.17 1om2 h ILE 47 Cb 0.30 0.74 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 1om2 h ILE 47 CO -0.30 0.28 -0.25 0.00 -0.68 0.00 0.00 178.15 177.19 1om2 h ALA 48 N 1.42 1.58 0.00 1.87 0.00 0.60 0.85 119.26 125.58 1om2 h ALA 48 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1om2 h ALA 48 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1om2 h ALA 48 CO -0.00 0.32 -1.74 1.33 0.00 0.00 0.00 179.25 179.15 1om2 n VAL 49 N -4.23 0.03 -0.08 0.00 0.24 -0.70 -4.50 118.33 109.10 1om2 n VAL 49 Ca -0.02 -0.40 -0.15 0.00 -2.04 0.00 0.00 64.34 61.73 1om2 n VAL 49 Cb 0.31 0.17 -0.10 0.00 -1.47 0.00 0.00 33.84 32.75 1om2 n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1om2 n GLY 51 N 1.56 0.95 2.51 0.00 0.00 0.27 -4.92 105.19 105.56 1om2 n GLY 51 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1om2 n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1om2 n GLN 52 N -2.02 2.18 -0.03 1.61 -0.06 -1.26 -4.98 117.38 112.83 1om2 n GLN 52 Ca 0.00 -4.26 -0.09 0.00 -2.00 0.00 0.00 57.00 50.65 1om2 n GLN 52 Cb 0.00 -1.98 -0.03 0.00 -4.06 0.00 0.00 30.24 24.18 1om2 n GLN 52 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1om2 h PRO 53 N 3.53 -0.28 -1.01 3.69 0.13 -1.91 -2.63 132.00 133.52 1om2 h PRO 53 Ca 0.14 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 65.45 1om2 h PRO 53 Cb 0.70 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 31.80 1om2 h PRO 53 CO 0.71 -0.19 0.62 1.96 -0.23 0.00 0.00 178.00 180.87 1om2 h GLN 54 N -0.29 0.83 -0.13 0.86 4.20 -1.98 0.27 115.11 118.87 1om2 h GLN 54 Ca 0.12 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1om2 h GLN 54 Cb 0.48 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1om2 h GLN 54 CO -0.36 0.55 0.07 0.37 -0.67 0.00 0.00 178.83 178.79 1om2 h GLN 55 N 0.86 0.18 -0.50 1.46 5.75 -1.91 -1.28 115.11 119.67 1om2 h GLN 55 Ca 0.55 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.97 1om2 h GLN 55 Cb 0.74 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 1om2 h GLN 55 CO -0.34 0.20 0.07 1.25 -2.65 0.00 0.00 178.83 177.36 1om2 h LEU 56 N 0.11 0.74 -0.71 -2.39 5.85 -0.95 -1.92 115.31 116.04 1om2 h LEU 56 Ca 0.05 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1om2 h LEU 56 Cb 0.07 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1om2 h LEU 56 CO -0.01 0.76 0.29 -0.07 -0.34 0.00 0.00 178.44 179.07 1om2 h LEU 57 N 0.75 0.97 -0.51 2.25 3.38 0.03 0.16 115.31 122.34 1om2 h LEU 57 Ca 0.16 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1om2 h LEU 57 Cb 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1om2 h LEU 57 CO 0.01 0.87 -0.06 0.06 0.09 0.00 0.00 178.44 179.41 1om2 h GLN 58 N 1.01 0.94 -0.52 1.13 -0.00 -1.04 -0.84 115.11 115.79 1om2 h GLN 58 Ca 0.24 -0.33 0.02 0.00 -0.00 0.00 0.00 58.65 58.57 1om2 h GLN 58 Cb 0.20 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.48 27.58 1om2 h GLN 58 CO -0.02 0.99 0.35 -0.24 -0.00 0.00 0.00 178.83 179.91 1om2 h VAL 59 N 0.80 1.10 0.10 1.86 3.04 -0.77 0.65 116.25 123.03 1om2 h VAL 59 Ca 0.14 -0.23 -0.26 0.00 -1.01 0.00 0.00 66.70 65.34 1om2 h VAL 59 Cb 0.61 0.38 0.01 0.00 -2.01 0.00 0.00 31.29 30.28 1om2 h VAL 59 CO 0.04 0.12 -1.16 -0.07 -1.01 0.00 0.00 177.57 175.49 1om2 h LEU 60 N 0.66 0.49 -0.51 3.16 -0.00 -0.41 -2.68 115.31 116.01 1om2 h LEU 60 Ca 0.20 -0.48 -0.17 0.00 -0.00 0.00 0.00 57.88 57.44 1om2 h LEU 60 Cb -0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.49 1om2 h LEU 60 CO -0.05 1.34 -0.63 -0.61 -0.00 0.00 0.00 178.44 178.49 1om2 h GLN 61 N 0.13 0.41 -0.25 1.13 -0.00 -0.55 -2.55 115.11 113.44 1om2 h GLN 61 Ca -0.12 -0.29 -0.17 0.00 -0.00 0.00 0.00 58.65 58.06 1om2 h GLN 61 Cb 1.85 0.05 -0.00 0.00 0.00 0.00 0.00 27.48 29.38 1om2 h GLN 61 CO 0.20 0.91 -0.52 0.37 0.00 0.00 0.00 178.83 179.78 1om2 h GLN 62 N 0.30 0.72 0.14 1.69 5.75 -0.94 -3.25 115.11 119.52 1om2 h GLN 62 Ca -0.01 -0.44 -0.28 0.00 -0.15 0.00 0.00 58.65 57.77 1om2 h GLN 62 Cb 1.18 0.05 0.01 0.00 1.07 0.00 0.00 27.48 29.78 1om2 h GLN 62 CO 0.11 1.06 -1.26 0.00 -2.65 0.00 0.00 178.83 176.09 1om2 h THR 63 N 0.56 1.43 -1.68 2.39 1.03 -1.48 -3.48 112.91 111.69 1om2 h THR 63 Ca 0.02 -2.88 0.06 0.00 -0.01 0.00 0.00 66.41 63.59 1om2 h THR 63 Cb 1.09 2.89 -0.22 0.00 -1.07 0.00 0.00 68.15 70.85 1om2 h THR 63 CO 0.11 0.85 0.48 -1.48 -0.01 0.00 0.00 175.52 175.46 1om2 s LEU 64 N -7.35 -0.42 -0.14 0.00 2.34 -0.96 -5.11 118.68 107.03 1om2 s LEU 64 Ca -0.06 0.44 -0.29 0.00 0.06 0.00 0.00 54.13 54.29 1om2 s LEU 64 Cb 0.07 2.00 -0.05 0.00 -0.56 0.00 0.00 46.19 47.65 1om2 s LEU 64 CO 0.90 -0.41 1.74 -2.16 -1.06 0.00 0.00 176.35 175.36 1om2 s PRO 65 N -1.22 3.88 -0.50 1.48 0.04 -1.26 -4.08 135.00 133.34 1om2 s PRO 65 Ca -0.03 1.98 -0.21 0.00 0.04 0.00 0.00 61.00 62.77 1om2 s PRO 65 Cb -0.00 -4.07 0.04 0.00 0.04 0.00 0.00 34.50 30.51 1om2 s PRO 65 CO 0.03 -1.21 0.73 -1.25 0.04 0.00 0.00 177.00 175.33 1om2 s PRO 66 N 4.65 3.23 0.15 0.56 0.04 -1.26 -4.92 135.00 137.44 1om2 s PRO 66 Ca 0.77 -0.57 -0.02 0.00 0.04 0.00 0.00 61.00 61.23 1om2 s PRO 66 Cb -0.30 -4.05 -0.02 0.00 0.04 0.00 0.00 34.50 30.17 1om2 s PRO 66 CO 0.31 -1.25 1.37 -1.00 0.04 0.00 0.00 177.00 176.47 1om2 h PRO 67 N 9.06 0.38 -0.37 0.56 0.13 -2.01 -3.26 132.00 136.48 1om2 h PRO 67 Ca -0.27 -0.36 0.01 0.00 -0.87 0.00 0.00 66.00 64.51 1om2 h PRO 67 Cb 1.09 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1om2 h PRO 67 CO 0.98 1.03 0.25 0.28 -0.23 0.00 0.00 178.00 180.31 1om2 h VAL 68 N 0.23 1.09 -0.92 1.56 2.07 -1.98 -2.59 116.25 115.71 1om2 h VAL 68 Ca -0.05 -0.17 0.27 0.00 0.82 0.00 0.00 66.70 67.56 1om2 h VAL 68 Cb 1.46 0.55 -0.15 0.00 -1.52 0.00 0.00 31.29 31.62 1om2 h VAL 68 CO 0.14 0.09 0.27 0.15 0.02 0.00 0.00 177.57 178.24 1om2 h PHE 69 N 0.50 0.40 -0.55 1.57 3.57 -1.98 0.39 116.94 120.84 1om2 h PHE 69 Ca 0.14 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1om2 h PHE 69 Cb -0.05 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1om2 h PHE 69 CO -0.05 -0.27 0.33 -0.56 -2.23 0.00 0.00 178.31 175.52 1om2 h GLN 70 N 0.17 0.73 0.03 1.11 3.07 -1.58 -0.67 115.11 117.96 1om2 h GLN 70 Ca 0.61 -0.06 -0.22 0.00 0.09 0.00 0.00 58.65 59.07 1om2 h GLN 70 Cb 1.31 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 28.70 1om2 h GLN 70 CO -0.71 0.52 -1.00 0.52 0.09 0.00 0.00 178.83 178.25 1om2 h MET 71 N 0.75 0.12 -0.70 0.06 2.86 -0.41 -2.16 114.93 115.45 1om2 h MET 71 Ca 0.20 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1om2 h MET 71 Cb -0.03 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1om2 h MET 71 CO -0.04 1.02 0.36 1.25 1.06 0.00 0.00 176.91 180.56 1om2 h LEU 72 N 0.05 0.89 -0.90 1.22 5.85 0.03 0.26 115.31 122.71 1om2 h LEU 72 Ca -0.05 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 1om2 h LEU 72 Cb 1.70 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1om2 h LEU 72 CO 0.15 0.75 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.61 1om2 h LEU 73 N 0.96 0.45 -0.18 2.25 3.38 -1.06 -2.96 115.31 118.14 1om2 h LEU 73 Ca 0.24 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1om2 h LEU 73 Cb 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1om2 h LEU 73 CO -0.04 0.74 -0.47 0.00 0.09 0.00 0.00 178.44 178.77 1om2 h THR 74 N 0.38 0.84 0.00 0.22 1.03 -0.72 -3.17 112.91 111.50 1om2 h THR 74 Ca 0.05 -2.06 0.00 0.00 -0.01 0.00 0.00 66.41 64.39 1om2 h THR 74 Cb 0.74 2.32 0.00 0.00 -1.07 0.00 0.00 68.15 70.14 1om2 h THR 74 CO 0.06 0.46 0.00 0.11 -0.01 0.00 0.00 175.52 176.14 1om2 h LYS 75 N 0.00 0.00 0.00 0.00 1.79 -0.33 -3.34 116.57 114.69 1om2 h LYS 75 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1om2 h LYS 75 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1om2 h LYS 75 CO 0.06 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.71 1om2 n LEU 76 N -2.31 0.74 -4.03 2.94 4.77 -1.20 -4.55 117.00 113.36 1om2 n LEU 76 Ca 0.00 0.39 -0.41 0.00 -0.03 0.00 0.00 56.01 55.96 1om2 n LEU 76 Cb 0.15 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1om2 n LEU 76 CO 0.16 -0.37 2.32 -0.81 -1.33 0.00 0.00 177.39 177.35 1om2 n PRO 77 N -1.62 2.69 0.01 3.23 -0.04 -1.25 -4.67 135.00 133.34 1om2 n PRO 77 Ca 0.00 -2.69 -0.12 0.00 -0.04 0.00 0.00 63.50 60.64 1om2 n PRO 77 Cb 0.00 -3.33 -0.08 0.00 -0.04 0.00 0.00 33.50 30.04 1om2 n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1om2 h THR 78 N 4.68 1.20 -0.03 0.52 1.03 -1.80 -2.93 112.91 115.58 1om2 h THR 78 Ca 0.49 -0.59 0.04 0.00 -0.01 0.00 0.00 66.41 66.33 1om2 h THR 78 Cb 0.73 1.57 -0.05 0.00 -1.07 0.00 0.00 68.15 69.33 1om2 h THR 78 CO 1.73 0.16 -0.32 0.40 -0.01 0.00 0.00 175.52 177.47 1om2 h ILE 79 N -0.22 0.30 -0.38 0.00 5.03 -1.98 -1.09 117.51 119.17 1om2 h ILE 79 Ca 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.82 1om2 h ILE 79 Cb 0.25 0.30 -0.08 0.00 -3.03 0.00 0.00 36.82 34.26 1om2 h ILE 79 CO 0.00 0.00 -0.16 0.28 -0.68 0.00 0.00 178.15 177.59 1om2 h SER 80 N -0.46 -0.55 -0.84 1.72 0.02 -1.95 -0.82 113.55 110.68 1om2 h SER 80 Ca 0.07 0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 1om2 h SER 80 Cb 0.56 0.31 -0.06 0.00 0.14 0.00 0.00 62.40 63.35 1om2 h SER 80 CO -0.29 -0.19 0.52 1.56 -1.14 0.00 0.00 176.83 177.29 1om2 h GLN 81 N -0.09 0.92 -0.18 3.45 4.20 -1.27 -1.77 115.11 120.39 1om2 h GLN 81 Ca 0.19 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1om2 h GLN 81 Cb 0.37 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1om2 h GLN 81 CO -0.44 0.61 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.23 1om2 h ARG 82 N 0.95 0.25 -0.05 1.46 2.43 0.13 -0.56 114.38 119.00 1om2 h ARG 82 Ca 0.37 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.48 1om2 h ARG 82 Cb 0.17 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1om2 h ARG 82 CO -0.17 0.29 -0.04 0.82 -1.51 0.00 0.00 179.97 179.36 1om2 h ILE 83 N 0.25 1.36 -0.60 1.20 2.04 -0.61 -3.12 117.51 118.03 1om2 h ILE 83 Ca 0.06 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.82 1om2 h ILE 83 Cb 0.20 2.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 1om2 h ILE 83 CO 0.01 0.31 0.35 0.58 0.00 0.00 0.00 178.15 179.39 1om2 h VAL 84 N -0.30 1.01 0.00 1.67 2.07 -1.13 -1.82 116.25 117.75 1om2 h VAL 84 Ca 0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1om2 h VAL 84 Cb 0.52 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1om2 h VAL 84 CO 0.01 0.12 0.00 -1.20 0.02 0.00 0.00 177.57 176.52 1om2 n SER 85 N -4.78 4.60 -1.70 0.57 7.64 -0.24 -2.44 113.62 117.26 1om2 n SER 85 Ca 0.06 -2.22 -0.01 0.00 1.01 0.00 0.00 58.87 57.71 1om2 n SER 85 Cb 0.12 -0.96 0.04 0.00 -1.01 0.00 0.00 64.21 62.40 1om2 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1om2 n ALA 86 N 1.48 0.24 -1.43 -0.43 0.00 -0.69 -4.95 120.51 114.73 1om2 n ALA 86 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1om2 n ALA 86 Cb 0.44 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 1om2 n ALA 86 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1om2 n GLN 87 N -0.51 1.99 0.00 0.00 -0.06 -1.02 -1.65 117.38 116.12 1om2 n GLN 87 Ca -0.09 -2.16 0.00 0.00 -2.00 0.00 0.00 57.00 52.75 1om2 n GLN 87 Cb 0.61 -3.10 0.00 0.00 -4.06 0.00 0.00 30.24 23.69 1om2 n GLN 87 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1om2 n SER 88 N 7.48 0.00 -2.34 1.69 7.64 -1.26 -4.96 113.62 121.86 1om2 n SER 88 Ca 0.50 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 60.04 1om2 n SER 88 Cb 0.41 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.68 1om2 n SER 88 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1om2 n LEU 89 N 0.00 7.45 -2.51 -3.43 4.77 -1.03 -4.57 117.00 117.68 1om2 n LEU 89 Ca 0.00 -4.37 -0.22 0.00 -0.03 0.00 0.00 56.01 51.39 1om2 n LEU 89 Cb 0.00 -0.93 0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1om2 n LEU 89 CO 0.00 1.55 0.11 0.61 -1.33 0.00 0.00 177.39 178.33 1om2 n GLY 90 N -0.88 4.83 3.49 -0.72 0.00 -0.66 -4.90 105.19 106.36 1om2 n GLY 90 Ca 0.61 -2.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 1om2 n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1om2 s GLU 91 N -3.44 1.04 -0.06 1.61 2.12 -1.26 -5.05 118.70 113.65 1om2 s GLU 91 Ca 0.43 0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 1om2 s GLU 91 Cb 0.41 0.49 -0.04 0.00 0.26 0.00 0.00 34.13 35.25 1om2 s GLU 91 CO -0.12 -0.33 0.09 0.34 -0.54 0.00 0.00 175.26 174.70 1om2 s ASP 92 N -1.33 5.88 0.05 -1.70 2.15 -1.26 -5.11 116.67 115.36 1om2 s ASP 92 Ca -0.10 0.27 -0.27 0.00 0.43 0.00 0.00 52.55 52.88 1om2 s ASP 92 Cb -0.01 -1.78 0.09 0.00 -0.30 0.00 0.00 42.92 40.93 1om2 s ASP 92 CO 0.08 0.34 0.87 -0.62 -0.17 0.00 0.00 175.17 175.67 1om2 s ASP 93 N -1.33 -0.34 -0.13 -0.34 2.15 -1.26 -5.16 116.67 110.26 1om2 s ASP 93 Ca 0.19 -0.09 -0.04 0.00 0.43 0.00 0.00 52.55 53.03 1om2 s ASP 93 Cb -0.12 0.43 0.06 0.00 -0.30 0.00 0.00 42.92 42.99 1om2 s ASP 93 CO 0.08 -0.72 0.17 -0.69 -0.17 0.00 0.00 175.17 173.85 1om2 s VAL 94 N -3.22 -0.27 -2.01 1.11 1.01 -1.26 -5.29 120.40 110.47 1om2 s VAL 94 Ca 0.06 0.17 0.32 0.00 0.00 0.00 0.00 61.98 62.53 1om2 s VAL 94 Cb -0.01 -0.44 0.90 0.00 0.00 0.00 0.00 36.38 36.83 1om2 s VAL 94 CO -0.07 0.01 2.22 -1.84 0.00 0.00 0.00 175.10 175.42