#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om2 s ALA 2 N 0.00 2.33 0.14 7.54 0.00 -1.26 -4.92 121.76 125.59 1om2 s ALA 2 Ca 0.00 1.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 1om2 s ALA 2 Cb 0.00 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 1om2 s ALA 2 CO 0.00 -1.57 1.58 0.20 0.00 0.00 0.00 175.76 175.98 1om2 s GLY 3 N -1.72 1.58 0.63 0.00 0.00 -1.26 -4.97 107.32 101.57 1om2 s GLY 3 Ca 0.78 1.32 -0.18 0.00 0.00 0.00 0.00 44.72 46.64 1om2 s GLY 3 CO 0.40 2.69 1.21 1.08 0.00 0.00 0.00 173.10 178.48 1om2 s LEU 4 N 1.52 3.58 -0.30 0.66 1.02 -1.26 -5.03 118.68 118.87 1om2 s LEU 4 Ca 0.71 2.40 -0.03 0.00 0.02 0.00 0.00 54.13 57.23 1om2 s LEU 4 Cb -0.42 -4.60 0.19 0.00 0.02 0.00 0.00 46.19 41.38 1om2 s LEU 4 CO 0.31 -1.76 0.67 -0.55 0.02 0.00 0.00 176.35 175.05 1om2 s SER 5 N -1.69 -1.24 0.36 2.29 0.15 -1.26 -5.14 113.70 107.17 1om2 s SER 5 Ca 0.77 0.78 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1om2 s SER 5 Cb -0.31 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.05 1om2 s SER 5 CO 0.36 -0.23 0.00 0.29 1.20 0.00 0.00 173.24 174.86 1om2 n LYS 6 N 5.44 -2.35 0.00 5.44 5.02 -1.26 -4.95 118.16 125.50 1om2 n LYS 6 Ca -0.02 1.84 0.00 0.00 -2.02 0.00 0.00 58.31 58.11 1om2 n LYS 6 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 1om2 n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1om2 n LEU 7 N -2.42 1.42 0.00 -0.35 4.32 -1.26 -4.91 117.00 113.80 1om2 n LEU 7 Ca -0.01 0.21 -0.05 0.00 -0.02 0.00 0.00 56.01 56.14 1om2 n LEU 7 Cb 0.31 -0.23 0.04 0.00 -1.62 0.00 0.00 43.42 41.91 1om2 n LEU 7 CO 0.00 -0.23 0.15 -0.81 -1.22 0.00 0.00 177.39 175.28 1om2 n PRO 8 N -1.29 -0.23 0.00 3.23 -0.04 -1.26 -4.94 135.00 130.47 1om2 n PRO 8 Ca 0.00 -0.36 0.15 0.00 -0.04 0.00 0.00 63.50 63.25 1om2 n PRO 8 Cb 0.00 -0.24 0.77 0.00 -0.04 0.00 0.00 33.50 33.99 1om2 n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1om2 n ASP 9 N -3.15 0.32 0.00 3.54 2.03 -1.26 -4.88 116.55 113.15 1om2 n ASP 9 Ca 0.03 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.55 1om2 n ASP 9 Cb 0.10 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 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 -0.89 0.00 0.06 -2.67 4.77 -1.26 -4.76 117.00 112.26 1om2 n LEU 10 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1om2 n LEU 10 Cb 0.21 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.62 1om2 n LEU 10 CO 0.20 0.00 0.86 0.11 -1.33 0.00 0.00 177.39 177.24 1om2 h LYS 11 N 1.02 0.36 -6.59 3.23 1.79 -2.03 -3.42 116.57 110.93 1om2 h LYS 11 Ca 0.00 -0.09 -0.51 0.00 -2.18 0.00 0.00 60.65 57.86 1om2 h LYS 11 Cb 0.00 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1om2 h LYS 11 CO 0.00 0.50 0.37 -0.51 -1.08 0.00 0.00 179.45 178.73 1om2 s ASP 12 N -6.82 7.48 -0.16 0.86 1.11 -1.26 -5.01 116.67 112.87 1om2 s ASP 12 Ca -0.06 1.84 -0.12 0.00 0.18 0.00 0.00 52.55 54.38 1om2 s ASP 12 Cb 0.15 -2.59 -0.07 0.00 1.07 0.00 0.00 42.92 41.48 1om2 s ASP 12 CO 0.75 -0.07 -0.09 0.00 1.18 0.00 0.00 175.17 176.95 1om2 n ALA 13 N 2.65 0.55 -0.28 5.23 0.00 -1.26 -3.84 120.51 123.55 1om2 n ALA 13 Ca 0.02 -0.45 0.07 0.00 0.00 0.00 0.00 53.44 53.08 1om2 n ALA 13 Cb 0.49 -0.12 0.22 0.00 0.00 0.00 0.00 19.45 20.03 1om2 n ALA 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1om2 h GLU 14 N -1.00 0.48 0.00 0.00 5.08 -1.99 0.20 114.58 117.36 1om2 h GLU 14 Ca -0.10 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1om2 h GLU 14 Cb 0.73 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1om2 h GLU 14 CO -0.06 0.32 -0.46 0.00 -1.00 0.00 0.00 179.01 177.81 1om2 h ALA 15 N 1.58 1.06 0.01 3.43 0.00 -1.99 -0.39 119.26 122.96 1om2 h ALA 15 Ca 0.46 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1om2 h ALA 15 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1om2 h ALA 15 CO -0.41 0.58 -0.91 0.28 0.00 0.00 0.00 179.25 178.78 1om2 h VAL 16 N 0.00 1.48 -0.11 0.00 2.07 -0.95 -0.86 116.25 117.88 1om2 h VAL 16 Ca -0.00 -2.62 -0.04 0.00 0.82 0.00 0.00 66.70 64.86 1om2 h VAL 16 Cb 0.91 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1om2 h VAL 16 CO 0.06 0.77 -0.08 -0.61 0.02 0.00 0.00 177.57 177.73 1om2 h GLN 17 N 0.13 0.25 -0.12 1.57 4.15 -0.39 0.14 115.11 120.84 1om2 h GLN 17 Ca -0.05 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.28 1om2 h GLN 17 Cb 1.55 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.20 1om2 h GLN 17 CO 0.14 0.63 -0.11 0.87 -1.93 0.00 0.00 178.83 178.43 1om2 h LYS 18 N -0.13 -0.12 0.41 1.69 1.79 -1.06 -2.29 116.57 116.85 1om2 h LYS 18 Ca 0.02 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1om2 h LYS 18 Cb 0.57 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1om2 h LYS 18 CO 0.02 -0.08 -0.20 0.35 -1.08 0.00 0.00 179.45 178.46 1om2 h PHE 19 N -0.13 -0.51 -0.56 -1.35 3.57 -1.12 0.25 116.94 117.10 1om2 h PHE 19 Ca 0.08 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.68 1om2 h PHE 19 Cb 0.25 0.17 -0.11 0.00 2.79 0.00 0.00 35.95 39.05 1om2 h PHE 19 CO -0.23 -0.31 -0.18 0.35 -2.23 0.00 0.00 178.31 175.72 1om2 h PHE 20 N -0.56 -0.41 -0.44 0.41 3.57 -0.60 0.42 116.94 119.33 1om2 h PHE 20 Ca -0.06 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1om2 h PHE 20 Cb 0.42 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1om2 h PHE 20 CO -0.05 -0.27 0.06 -0.07 -2.23 0.00 0.00 178.31 175.76 1om2 h LEU 21 N -0.04 0.71 -1.54 0.59 3.38 -1.33 -1.08 115.31 116.00 1om2 h LEU 21 Ca 0.26 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1om2 h LEU 21 Cb 0.45 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1om2 h LEU 21 CO -0.59 0.79 0.44 -0.08 0.09 0.00 0.00 178.44 179.08 1om2 h GLU 22 N 0.59 0.51 0.23 1.13 4.81 0.15 0.68 114.58 122.69 1om2 h GLU 22 Ca 0.13 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.99 1om2 h GLU 22 Cb 0.39 -0.11 0.03 0.00 0.63 0.00 0.00 28.75 29.69 1om2 h GLU 22 CO 0.01 0.34 -1.54 1.49 -0.73 0.00 0.00 179.01 178.58 1om2 h GLU 23 N 0.52 0.49 -0.28 1.92 4.81 -0.81 0.30 114.58 121.55 1om2 h GLU 23 Ca 0.30 -0.84 0.04 0.00 -0.13 0.00 0.00 59.36 58.73 1om2 h GLU 23 Cb 0.48 0.31 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 1om2 h GLU 23 CO -0.09 1.40 0.06 0.97 -0.73 0.00 0.00 179.01 180.62 1om2 h ILE 24 N 0.13 0.88 -0.03 2.32 2.10 -0.45 0.40 117.51 122.86 1om2 h ILE 24 Ca -0.27 -0.06 -0.02 0.00 1.08 0.00 0.00 64.86 65.59 1om2 h ILE 24 Cb 2.15 0.70 -0.00 0.00 -1.09 0.00 0.00 36.82 38.57 1om2 h ILE 24 CO 0.25 0.03 -0.05 1.56 -1.08 0.00 0.00 178.15 178.86 1om2 h GLN 25 N 0.17 0.08 -0.54 2.19 4.20 -0.96 -2.33 115.11 117.91 1om2 h GLN 25 Ca 0.13 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.87 1om2 h GLN 25 Cb 0.13 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.85 1om2 h GLN 25 CO -0.16 0.61 0.18 1.25 -0.67 0.00 0.00 178.83 180.03 1om2 h LEU 26 N -0.44 0.16 0.67 1.46 7.12 -0.82 0.19 115.31 123.66 1om2 h LEU 26 Ca 0.00 0.07 -0.03 0.00 0.13 0.00 0.00 57.88 58.05 1om2 h LEU 26 Cb 0.60 0.07 0.01 0.00 -0.53 0.00 0.00 40.66 40.80 1om2 h LEU 26 CO 0.01 0.11 -0.32 1.23 -0.13 0.00 0.00 178.44 179.34 1om2 h GLY 27 N 0.35 -0.94 0.00 3.75 0.00 -0.96 0.12 103.07 105.40 1om2 h GLY 27 Ca 0.27 0.35 0.28 0.00 0.00 0.00 0.00 47.33 48.22 1om2 h GLY 27 CO -0.28 -0.34 0.70 0.83 0.00 0.00 0.00 176.54 177.44 1om2 h GLU 28 N -0.92 0.11 -0.10 4.80 4.39 -1.12 0.28 114.58 122.01 1om2 h GLU 28 Ca -0.09 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 1om2 h GLU 28 Cb 0.69 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1om2 h GLU 28 CO 0.15 0.07 -0.33 1.49 -1.16 0.00 0.00 179.01 179.23 1om2 h GLU 29 N 0.11 0.40 -0.86 2.33 4.81 -0.32 -0.73 114.58 120.32 1om2 h GLU 29 Ca 0.50 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1om2 h GLU 29 Cb 1.77 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 31.16 1om2 h GLU 29 CO -0.07 0.92 0.47 -0.07 -0.73 0.00 0.00 179.01 179.53 1om2 h LEU 30 N -0.04 1.07 -1.20 1.64 3.38 0.11 -0.60 115.31 119.67 1om2 h LEU 30 Ca -0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1om2 h LEU 30 Cb 0.96 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1om2 h LEU 30 CO 0.07 0.86 -0.18 -0.07 0.09 0.00 0.00 178.44 179.21 1om2 h LEU 31 N 1.20 0.33 -2.66 1.67 4.07 -1.02 0.12 115.31 119.01 1om2 h LEU 31 Ca 0.30 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1om2 h LEU 31 Cb 0.03 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 1om2 h LEU 31 CO -0.05 0.53 0.10 0.00 -1.08 0.00 0.00 178.44 177.94 1om2 h ALA 32 N 1.51 1.18 0.08 1.53 0.00 0.47 0.13 119.26 124.15 1om2 h ALA 32 Ca 0.06 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 1om2 h ALA 32 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1om2 h ALA 32 CO 0.03 -0.11 -2.08 0.94 0.00 0.00 0.00 179.25 178.04 1om2 n GLN 33 N -3.13 0.72 0.00 0.00 0.00 0.04 -5.01 117.38 109.98 1om2 n GLN 33 Ca -0.02 0.26 0.00 0.00 -0.00 0.00 0.00 57.00 57.23 1om2 n GLN 33 Cb 0.17 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 28.75 1om2 n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1om2 n GLY 34 N 2.00 0.06 2.40 1.69 0.00 0.19 -5.07 105.19 106.47 1om2 n GLY 34 Ca -0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 8.27 -0.31 1.61 -0.08 -0.50 -4.73 116.55 120.80 1om2 n ASP 35 Ca 0.00 -2.90 0.18 0.00 -1.51 0.00 0.00 54.79 50.56 1om2 n ASP 35 Cb 0.00 -1.44 0.36 0.00 2.34 0.00 0.00 41.12 42.38 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 4.69 0.45 -0.71 -0.67 0.05 -1.88 0.89 116.97 119.79 1om2 h TYR 36 Ca 0.76 0.05 0.02 0.00 0.05 0.00 0.00 58.73 59.61 1om2 h TYR 36 Cb 0.33 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 1om2 h TYR 36 CO 1.72 -0.27 0.46 0.93 -1.05 0.00 0.00 178.16 179.95 1om2 h GLU 37 N 0.17 0.90 -0.14 4.88 5.08 -2.00 -0.48 114.58 122.99 1om2 h GLU 37 Ca 0.63 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.81 1om2 h GLU 37 Cb 1.37 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1om2 h GLU 37 CO -0.70 0.59 -0.44 0.87 -1.00 0.00 0.00 179.01 178.33 1om2 h LYS 38 N 0.92 0.34 -0.60 2.33 1.79 -1.26 -2.64 116.57 117.46 1om2 h LYS 38 Ca 0.27 -0.18 -0.06 0.00 -2.18 0.00 0.00 60.65 58.50 1om2 h LYS 38 Cb -0.06 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 1om2 h LYS 38 CO -0.08 0.72 0.12 0.78 -1.08 0.00 0.00 179.45 179.92 1om2 h GLY 39 N 1.20 1.02 0.92 3.86 0.00 -0.27 0.80 103.07 110.60 1om2 h GLY 39 Ca 0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1om2 h GLY 39 CO 0.07 0.58 0.13 -2.08 0.00 0.00 0.00 176.54 175.24 1om2 h VAL 40 N 0.90 1.17 0.27 4.60 2.07 -0.86 0.16 116.25 124.56 1om2 h VAL 40 Ca 0.19 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1om2 h VAL 40 Cb 0.35 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1om2 h VAL 40 CO 0.00 0.18 -0.13 -0.78 0.02 0.00 0.00 177.57 176.86 1om2 h ASP 41 N 0.34 -0.31 -0.68 0.57 3.58 -1.21 0.30 116.42 119.01 1om2 h ASP 41 Ca 0.10 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 1om2 h ASP 41 Cb 0.16 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 1om2 h ASP 41 CO -0.01 -0.09 0.28 0.45 -2.88 0.00 0.00 179.24 176.99 1om2 h HIS 42 N -0.52 1.03 -0.28 0.28 3.86 -0.83 -0.48 115.15 118.21 1om2 h HIS 42 Ca -0.04 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.03 1om2 h HIS 42 Cb 0.39 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1om2 h HIS 42 CO -0.02 0.79 -0.11 1.25 0.86 0.00 0.00 177.93 180.70 1om2 h LEU 43 N 1.01 0.58 -1.11 2.43 5.85 -0.60 -0.41 115.31 123.06 1om2 h LEU 43 Ca 0.24 -0.39 0.19 0.00 0.84 0.00 0.00 57.88 58.75 1om2 h LEU 43 Cb 0.18 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 40.96 1om2 h LEU 43 CO -0.02 0.85 0.61 0.74 -0.34 0.00 0.00 178.44 180.28 1om2 h THR 44 N 0.32 0.73 -0.35 1.05 2.02 -0.17 0.14 112.91 116.65 1om2 h THR 44 Ca 0.07 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 1om2 h THR 44 Cb 0.61 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1om2 h THR 44 CO 0.04 0.13 -0.19 0.78 0.37 0.00 0.00 175.52 176.65 1om2 h ASN 45 N 0.72 0.77 -0.79 4.18 2.35 -0.67 -1.51 115.58 120.63 1om2 h ASN 45 Ca 0.55 -0.41 0.07 0.00 -0.55 0.00 0.00 56.30 55.96 1om2 h ASN 45 Cb 0.91 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 39.00 1om2 h ASN 45 CO -0.32 1.01 0.46 0.00 -1.65 0.00 0.00 177.43 176.93 1om2 h ALA 46 N 0.78 1.10 -0.81 -0.83 0.00 0.91 0.42 119.26 120.83 1om2 h ALA 46 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1om2 h ALA 46 Cb 0.73 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1om2 h ALA 46 CO 0.05 0.14 0.43 0.82 0.00 0.00 0.00 179.25 180.70 1om2 h ILE 47 N 0.82 1.24 -0.19 0.00 5.03 -0.87 0.22 117.51 123.77 1om2 h ILE 47 Ca 0.36 -0.62 -0.02 0.00 -0.12 0.00 0.00 64.86 64.47 1om2 h ILE 47 Cb 0.26 0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 34.19 1om2 h ILE 47 CO -0.21 0.27 0.03 0.00 -0.68 0.00 0.00 178.15 177.56 1om2 h ALA 48 N 1.34 1.70 0.00 1.87 0.00 0.12 0.53 119.26 124.81 1om2 h ALA 48 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1om2 h ALA 48 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1om2 h ALA 48 CO -0.04 0.23 -1.19 1.33 0.00 0.00 0.00 179.25 179.58 1om2 n VAL 49 N -4.41 0.01 -0.09 0.00 0.24 -0.70 -4.48 118.33 108.90 1om2 n VAL 49 Ca -0.00 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 1om2 n VAL 49 Cb 0.16 0.73 -0.07 0.00 -1.47 0.00 0.00 33.84 33.19 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 1.54 1.58 2.59 0.00 0.00 0.13 -4.89 105.19 106.14 1om2 n GLY 51 Ca -0.19 0.00 -0.23 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 -2.00 2.22 -0.07 1.61 -0.06 -1.26 -4.98 117.38 112.84 1om2 n GLN 52 Ca 0.00 -4.21 -0.07 0.00 -2.00 0.00 0.00 57.00 50.72 1om2 n GLN 52 Cb 0.00 -2.00 -0.01 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 3.06 -0.20 -0.79 3.69 0.13 -1.90 -2.49 132.00 133.50 1om2 h PRO 53 Ca 0.12 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.37 1om2 h PRO 53 Cb 0.71 0.05 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 1om2 h PRO 53 CO 0.68 -0.14 0.52 1.96 -0.23 0.00 0.00 178.00 180.79 1om2 h GLN 54 N -0.21 0.65 -0.29 0.86 4.20 -1.98 0.23 115.11 118.58 1om2 h GLN 54 Ca 0.16 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1om2 h GLN 54 Cb 0.45 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1om2 h GLN 54 CO -0.42 0.43 0.10 0.37 -0.67 0.00 0.00 178.83 178.64 1om2 h GLN 55 N 0.67 0.43 -0.64 1.46 5.75 -1.88 -1.38 115.11 119.52 1om2 h GLN 55 Ca 0.37 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.76 1om2 h GLN 55 Cb 0.53 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1om2 h GLN 55 CO -0.14 0.47 0.28 1.25 -2.65 0.00 0.00 178.83 178.03 1om2 h LEU 56 N 0.31 0.87 -0.99 -2.39 5.85 -0.79 0.54 115.31 118.71 1om2 h LEU 56 Ca 0.09 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1om2 h LEU 56 Cb 0.21 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1om2 h LEU 56 CO -0.01 0.79 0.34 -0.07 -0.34 0.00 0.00 178.44 179.15 1om2 h LEU 57 N 0.90 0.96 -0.34 2.25 3.38 -0.38 0.11 115.31 122.19 1om2 h LEU 57 Ca 0.22 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1om2 h LEU 57 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1om2 h LEU 57 CO -0.02 0.82 -0.03 1.56 0.09 0.00 0.00 178.44 180.86 1om2 h GLN 58 N 1.05 0.62 -0.12 1.13 4.20 -0.90 -1.53 115.11 119.55 1om2 h GLN 58 Ca 0.25 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1om2 h GLN 58 Cb 0.13 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1om2 h GLN 58 CO -0.03 0.77 0.00 -0.24 -0.67 0.00 0.00 178.83 178.66 1om2 h VAL 59 N 0.42 1.08 0.12 -0.54 3.04 -0.18 0.50 116.25 120.69 1om2 h VAL 59 Ca 0.09 -0.31 -0.30 0.00 -1.01 0.00 0.00 66.70 65.18 1om2 h VAL 59 Cb 0.50 0.99 0.03 0.00 -2.01 0.00 0.00 31.29 30.80 1om2 h VAL 59 CO 0.02 0.10 -1.23 -0.07 -1.01 0.00 0.00 177.57 175.39 1om2 h LEU 60 N 0.17 0.88 -1.47 3.16 -0.00 -0.65 -3.12 115.31 114.28 1om2 h LEU 60 Ca 0.04 -0.82 -0.06 0.00 -0.00 0.00 0.00 57.88 57.04 1om2 h LEU 60 Cb 0.12 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.49 1om2 h LEU 60 CO 0.00 1.61 -0.26 -0.61 -0.00 0.00 0.00 178.44 179.18 1om2 h GLN 61 N 0.26 0.01 -0.59 1.13 4.15 -0.37 -0.14 115.11 119.55 1om2 h GLN 61 Ca -0.19 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.13 1om2 h GLN 61 Cb 1.90 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.57 1om2 h GLN 61 CO 0.24 0.27 -0.04 -0.56 -1.93 0.00 0.00 178.83 176.80 1om2 h GLN 62 N 0.00 1.07 0.18 1.69 -0.00 -0.91 -3.26 115.11 113.89 1om2 h GLN 62 Ca -0.00 -0.36 -0.34 0.00 -0.00 0.00 0.00 58.65 57.94 1om2 h GLN 62 Cb 0.46 -0.09 0.01 0.00 -0.00 0.00 0.00 27.48 27.87 1om2 h GLN 62 CO 0.03 1.06 -1.69 0.00 -0.00 0.00 0.00 178.83 178.24 1om2 h THR 63 N 0.96 1.01 -1.73 1.86 1.03 -1.43 -3.49 112.91 111.13 1om2 h THR 63 Ca 0.16 -2.58 0.03 0.00 -0.01 0.00 0.00 66.41 64.00 1om2 h THR 63 Cb 0.61 2.80 -0.24 0.00 -1.07 0.00 0.00 68.15 70.25 1om2 h THR 63 CO 0.04 0.85 0.37 -1.48 -0.01 0.00 0.00 175.52 175.28 1om2 s LEU 64 N -7.28 -0.53 -0.17 0.00 0.05 -0.09 -5.12 118.68 105.53 1om2 s LEU 64 Ca -0.14 0.92 -0.29 0.00 0.05 0.00 0.00 54.13 54.67 1om2 s LEU 64 Cb 0.05 2.09 -0.04 0.00 -2.05 0.00 0.00 46.19 46.24 1om2 s LEU 64 CO 0.87 -0.25 1.84 -2.16 -0.55 0.00 0.00 176.35 176.10 1om2 s PRO 65 N -0.10 3.68 -0.39 1.48 0.04 -1.26 -3.78 135.00 134.67 1om2 s PRO 65 Ca 0.00 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.69 1om2 s PRO 65 Cb -0.04 -4.15 0.02 0.00 0.04 0.00 0.00 34.50 30.37 1om2 s PRO 65 CO -0.02 -1.45 1.06 -1.25 0.04 0.00 0.00 177.00 175.38 1om2 s PRO 66 N 5.09 3.89 0.08 0.56 0.04 -1.26 -4.92 135.00 138.49 1om2 s PRO 66 Ca 0.82 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 1om2 s PRO 66 Cb -0.30 -3.81 -0.22 0.00 0.04 0.00 0.00 34.50 30.21 1om2 s PRO 66 CO 0.33 -1.08 1.20 -1.00 0.04 0.00 0.00 177.00 176.49 1om2 h PRO 67 N 8.58 0.61 -0.81 0.56 0.13 -2.02 -3.26 132.00 135.79 1om2 h PRO 67 Ca -0.22 -0.70 0.01 0.00 -0.87 0.00 0.00 66.00 64.22 1om2 h PRO 67 Cb 1.06 0.21 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1om2 h PRO 67 CO 1.06 1.29 0.53 0.28 -0.23 0.00 0.00 178.00 180.93 1om2 h VAL 68 N 0.33 1.19 -0.80 1.56 2.07 -1.97 -1.89 116.25 116.74 1om2 h VAL 68 Ca -0.13 -0.37 0.19 0.00 0.82 0.00 0.00 66.70 67.21 1om2 h VAL 68 Cb 1.73 0.02 -0.13 0.00 -1.52 0.00 0.00 31.29 31.38 1om2 h VAL 68 CO 0.20 0.20 0.08 0.15 0.02 0.00 0.00 177.57 178.22 1om2 h PHE 69 N 1.08 0.09 -0.30 1.57 3.57 -1.97 0.48 116.94 121.45 1om2 h PHE 69 Ca 0.30 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1om2 h PHE 69 Cb -0.10 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1om2 h PHE 69 CO -0.02 -0.23 0.12 0.37 -2.23 0.00 0.00 178.31 176.32 1om2 h GLN 70 N 0.14 0.41 0.00 1.11 -0.00 -1.44 -0.74 115.11 114.59 1om2 h GLN 70 Ca 0.46 -0.05 -0.16 0.00 -0.00 0.00 0.00 58.65 58.90 1om2 h GLN 70 Cb 0.85 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 28.22 1om2 h GLN 70 CO -0.66 0.35 -0.88 0.52 0.00 0.00 0.00 178.83 178.16 1om2 h MET 71 N 0.42 0.00 -0.28 1.69 0.00 -0.33 -2.75 114.93 113.68 1om2 h MET 71 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 59.70 59.75 1om2 h MET 71 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.68 1om2 h MET 71 CO -0.01 0.66 -0.04 1.25 0.00 0.00 0.00 176.91 178.77 1om2 h LEU 72 N 0.00 0.52 -1.73 1.22 5.85 0.60 0.31 115.31 122.08 1om2 h LEU 72 Ca -0.04 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1om2 h LEU 72 Cb 1.59 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 1om2 h LEU 72 CO 0.09 0.73 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.68 1om2 h LEU 73 N 0.29 0.00 0.00 2.25 3.38 -1.17 -2.24 115.31 117.82 1om2 h LEU 73 Ca 0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1om2 h LEU 73 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1om2 h LEU 73 CO 0.02 0.17 -1.29 0.00 0.09 0.00 0.00 178.44 177.43 1om2 h THR 74 N 0.00 0.38 -0.06 0.22 1.03 -1.18 -3.36 112.91 109.94 1om2 h THR 74 Ca -0.00 -1.75 -0.19 0.00 -0.01 0.00 0.00 66.41 64.46 1om2 h THR 74 Cb 0.40 1.91 -0.01 0.00 -1.07 0.00 0.00 68.15 69.38 1om2 h THR 74 CO 0.02 0.22 -0.75 0.11 -0.01 0.00 0.00 175.52 175.11 1om2 h LYS 75 N 0.00 0.38 0.26 0.00 1.79 0.17 -3.35 116.57 115.82 1om2 h LYS 75 Ca -0.12 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1om2 h LYS 75 Cb 1.44 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.15 1om2 h LYS 75 CO 0.04 0.97 -0.25 -0.07 -1.08 0.00 0.00 179.45 179.06 1om2 h LEU 76 N 0.25 -0.67 0.00 2.94 3.38 -1.57 -3.44 115.31 116.20 1om2 h LEU 76 Ca -0.03 0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 1om2 h LEU 76 Cb 1.33 0.22 0.11 0.00 0.09 0.00 0.00 40.66 42.41 1om2 h LEU 76 CO 0.13 -0.33 0.26 -0.81 0.09 0.00 0.00 178.44 177.78 1om2 n PRO 77 N -3.84 -0.79 0.01 1.13 -0.04 -1.26 -5.06 135.00 125.15 1om2 n PRO 77 Ca -0.06 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1om2 n PRO 77 Cb 0.23 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1om2 n PRO 77 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1om2 n THR 78 N -3.14 0.18 -0.27 0.52 5.66 -1.26 -4.80 114.28 111.17 1om2 n THR 78 Ca 0.11 0.06 0.08 0.00 -3.05 0.00 0.00 64.05 61.24 1om2 n THR 78 Cb 0.37 -1.32 0.22 0.00 -1.55 0.00 0.00 70.33 68.05 1om2 n THR 78 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1om2 h ILE 79 N 0.00 0.57 -0.89 1.09 5.03 -1.97 -0.94 117.51 120.41 1om2 h ILE 79 Ca 0.00 -0.14 0.13 0.00 -0.12 0.00 0.00 64.86 64.73 1om2 h ILE 79 Cb 0.66 0.14 -0.09 0.00 -3.03 0.00 0.00 36.82 34.51 1om2 h ILE 79 CO 0.00 0.07 0.50 0.28 -0.68 0.00 0.00 178.15 178.33 1om2 h SER 80 N 0.40 0.68 -0.67 1.72 0.02 -1.91 -0.15 113.55 113.63 1om2 h SER 80 Ca 0.46 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1om2 h SER 80 Cb 0.76 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1om2 h SER 80 CO -0.46 0.33 0.44 1.56 -1.14 0.00 0.00 176.83 177.56 1om2 h GLN 81 N 0.77 0.90 -0.53 3.45 4.20 -1.43 -2.50 115.11 119.97 1om2 h GLN 81 Ca 0.46 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 59.00 1om2 h GLN 81 Cb 0.55 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1om2 h GLN 81 CO -0.31 0.60 -0.09 0.00 -0.67 0.00 0.00 178.83 178.36 1om2 h ARG 82 N 0.92 0.99 -0.02 1.46 3.08 -0.97 0.15 114.38 120.00 1om2 h ARG 82 Ca 0.25 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1om2 h ARG 82 Cb -0.09 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1om2 h ARG 82 CO -0.05 1.04 0.01 0.82 -1.07 0.00 0.00 179.97 180.72 1om2 h ILE 83 N 0.86 1.14 -0.64 2.04 1.08 -1.06 -2.02 117.51 118.91 1om2 h ILE 83 Ca 0.14 -0.42 0.03 0.00 -0.39 0.00 0.00 64.86 64.21 1om2 h ILE 83 Cb 0.65 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 1om2 h ILE 83 CO 0.05 0.11 0.40 0.58 -0.69 0.00 0.00 178.15 178.60 1om2 h VAL 84 N -0.15 1.09 -0.23 1.67 2.07 -1.42 -1.84 116.25 117.45 1om2 h VAL 84 Ca 0.01 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1om2 h VAL 84 Cb 0.18 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 1om2 h VAL 84 CO -0.00 0.14 0.16 -1.20 0.02 0.00 0.00 177.57 176.70 1om2 n SER 85 N -4.70 3.73 -2.85 0.57 7.64 0.03 -4.68 113.62 113.36 1om2 n SER 85 Ca 0.06 -2.45 -0.30 0.00 1.01 0.00 0.00 58.87 57.20 1om2 n SER 85 Cb 0.08 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 62.52 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 0.28 7.13 -1.46 -0.43 0.00 -0.69 -4.81 120.51 120.52 1om2 n ALA 86 Ca 0.14 -2.96 -0.40 0.00 0.00 0.00 0.00 53.44 50.22 1om2 n ALA 86 Cb 0.73 -2.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.18 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 3.10 2.83 0.00 0.00 -0.06 -1.26 -2.19 117.38 119.80 1om2 n GLN 87 Ca 0.66 -2.30 0.00 0.00 -2.00 0.00 0.00 57.00 53.35 1om2 n GLN 87 Cb 0.47 -3.04 0.00 0.00 -4.06 0.00 0.00 30.24 23.61 1om2 n GLN 87 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1om2 n SER 88 N 5.48 0.00 -1.95 1.69 3.41 -1.26 -4.96 113.62 116.03 1om2 n SER 88 Ca 0.58 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.99 1om2 n SER 88 Cb 0.33 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.34 1om2 n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1om2 n LEU 89 N 0.00 6.46 -2.90 1.04 4.77 -1.15 -4.25 117.00 120.96 1om2 n LEU 89 Ca 0.00 -3.39 -0.12 0.00 -0.03 0.00 0.00 56.01 52.47 1om2 n LEU 89 Cb 0.00 -0.96 0.04 0.00 -2.33 0.00 0.00 43.42 40.17 1om2 n LEU 89 CO 0.00 1.18 0.07 0.61 -1.33 0.00 0.00 177.39 177.92 1om2 n GLY 90 N -0.13 2.02 3.22 -0.72 0.00 -0.93 -4.89 105.19 103.77 1om2 n GLY 90 Ca 0.39 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.29 0.39 0.37 1.61 2.12 -1.26 -4.98 118.70 115.66 1om2 s GLU 91 Ca 0.30 0.46 0.00 0.00 0.36 0.00 0.00 54.97 56.09 1om2 s GLU 91 Cb 0.35 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.93 1om2 s GLU 91 CO -0.05 -0.05 0.00 -0.25 -0.54 0.00 0.00 175.26 174.37 1om2 n ASP 92 N 2.89 -7.20 -3.63 -1.70 8.00 -1.26 -5.06 116.55 108.59 1om2 n ASP 92 Ca -0.13 1.25 -0.04 0.00 0.71 0.00 0.00 54.79 56.58 1om2 n ASP 92 Cb 0.58 -3.58 -0.01 0.00 -0.02 0.00 0.00 41.12 38.08 1om2 n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1om2 s ASP 93 N -6.11 -0.21 -1.10 -2.24 2.15 -1.26 -5.03 116.67 102.87 1om2 s ASP 93 Ca 0.00 -0.17 -0.24 0.00 0.43 0.00 0.00 52.55 52.57 1om2 s ASP 93 Cb 0.00 0.35 0.03 0.00 -0.30 0.00 0.00 42.92 43.00 1om2 s ASP 93 CO 0.00 -0.61 0.45 0.55 -0.17 0.00 0.00 175.17 175.39 1om2 n VAL 94 N -0.35 -1.92 -1.68 1.11 3.14 -1.26 -5.31 118.33 112.06 1om2 n VAL 94 Ca -0.06 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 1om2 n VAL 94 Cb 0.61 -1.66 0.00 0.00 -1.06 0.00 0.00 33.84 31.73 1om2 n VAL 94 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58