#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 -2.03 0.00 7.54 0.00 -1.26 -5.12 120.51 119.64 1om2 n ALA 2 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1om2 n ALA 2 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -3.45 -0.37 3.77 0.00 0.00 -1.26 -5.14 105.19 98.74 1om2 n GLY 3 Ca -0.02 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 1om2 n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1om2 s LEU 4 N 0.00 2.46 -0.06 0.99 2.01 -1.26 -5.09 118.68 117.73 1om2 s LEU 4 Ca 0.00 1.39 -0.30 0.00 0.01 0.00 0.00 54.13 55.23 1om2 s LEU 4 Cb 0.00 -3.92 0.09 0.00 0.01 0.00 0.00 46.19 42.37 1om2 s LEU 4 CO 0.00 -2.25 0.79 -0.44 1.01 0.00 0.00 176.35 175.46 1om2 s SER 5 N -3.70 -0.54 -0.03 2.29 0.01 -1.26 -5.08 113.70 105.40 1om2 s SER 5 Ca 0.62 0.49 -0.22 0.00 1.31 0.00 0.00 55.95 58.15 1om2 s SER 5 Cb -0.16 0.46 -0.15 0.00 0.21 0.00 0.00 66.02 66.38 1om2 s SER 5 CO 0.55 -0.56 0.97 0.11 0.41 0.00 0.00 173.24 174.72 1om2 h LYS 6 N 2.68 -0.34 -3.93 12.44 1.57 -1.99 -3.40 116.57 123.61 1om2 h LYS 6 Ca -0.24 0.02 -0.65 0.00 -1.87 0.00 0.00 60.65 57.91 1om2 h LYS 6 Cb 1.17 0.08 -0.41 0.00 0.08 0.00 0.00 32.23 33.15 1om2 h LYS 6 CO 0.36 0.02 -0.67 -0.51 -0.57 0.00 0.00 179.45 178.08 1om2 s LEU 7 N -9.19 4.49 0.00 2.94 1.43 -1.26 -4.24 118.68 112.84 1om2 s LEU 7 Ca -0.13 -2.65 0.00 0.00 -1.03 0.00 0.00 54.13 50.32 1om2 s LEU 7 Cb 0.01 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1om2 s LEU 7 CO 0.46 -0.29 0.00 -0.81 0.23 0.00 0.00 176.35 175.94 1om2 n PRO 8 N 3.59 0.00 0.00 1.29 -0.04 -1.26 -4.85 135.00 133.73 1om2 n PRO 8 Ca 0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1om2 n PRO 8 Cb 0.36 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.00 2.52 0.00 3.54 -0.08 -1.26 -4.95 116.55 116.32 1om2 n ASP 9 Ca 0.00 -1.82 0.00 0.00 -1.51 0.00 0.00 54.79 51.46 1om2 n ASP 9 Cb 0.00 0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1om2 n ASP 9 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1om2 n LEU 10 N 0.93 0.00 -0.11 -2.67 4.77 -1.26 -4.72 117.00 113.94 1om2 n LEU 10 Ca 0.15 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1om2 n LEU 10 Cb 0.52 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.07 1om2 n LEU 10 CO 0.16 0.00 1.19 0.11 -1.33 0.00 0.00 177.39 177.53 1om2 h LYS 11 N 0.43 0.50 -6.34 3.23 1.57 -2.02 -3.38 116.57 110.55 1om2 h LYS 11 Ca 0.00 -0.03 -0.55 0.00 -1.87 0.00 0.00 60.65 58.20 1om2 h LYS 11 Cb 0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1om2 h LYS 11 CO 0.00 0.33 0.48 -0.51 -0.57 0.00 0.00 179.45 179.18 1om2 s ASP 12 N -6.24 7.29 -0.19 0.86 1.11 -1.26 -4.96 116.67 113.27 1om2 s ASP 12 Ca -0.08 1.63 -0.17 0.00 0.18 0.00 0.00 52.55 54.10 1om2 s ASP 12 Cb 0.19 -2.56 -0.20 0.00 1.07 0.00 0.00 42.92 41.42 1om2 s ASP 12 CO 0.75 -0.36 0.20 0.00 1.18 0.00 0.00 175.17 176.94 1om2 n ALA 13 N 4.44 0.85 -0.19 5.23 0.00 -1.26 -3.96 120.51 125.61 1om2 n ALA 13 Ca 0.08 -0.57 -0.00 0.00 0.00 0.00 0.00 53.44 52.94 1om2 n ALA 13 Cb 0.50 -0.53 0.10 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.72 0.30 -0.59 0.00 5.08 -1.96 0.61 114.58 117.30 1om2 h GLU 14 Ca -0.40 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1om2 h GLU 14 Cb 1.52 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1om2 h GLU 14 CO -0.15 0.20 0.24 0.00 -1.00 0.00 0.00 179.01 178.30 1om2 h ALA 15 N 1.44 1.32 0.00 3.43 0.00 -1.89 -1.49 119.26 122.07 1om2 h ALA 15 Ca 0.30 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1om2 h ALA 15 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1om2 h ALA 15 CO -0.35 0.51 -0.48 0.28 0.00 0.00 0.00 179.25 179.20 1om2 h VAL 16 N 0.84 0.84 -0.26 0.00 2.07 -1.22 -1.53 116.25 117.00 1om2 h VAL 16 Ca 0.20 -2.15 -0.12 0.00 0.82 0.00 0.00 66.70 65.45 1om2 h VAL 16 Cb 0.15 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1om2 h VAL 16 CO -0.02 0.47 -0.30 -0.61 0.02 0.00 0.00 177.57 177.14 1om2 h GLN 17 N 0.00 0.66 0.30 1.57 4.15 0.81 0.23 115.11 122.84 1om2 h GLN 17 Ca -0.00 -0.36 -0.01 0.00 0.77 0.00 0.00 58.65 59.04 1om2 h GLN 17 Cb 1.35 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 29.06 1om2 h GLN 17 CO 0.06 0.97 -0.19 0.87 -1.93 0.00 0.00 178.83 178.62 1om2 h LYS 18 N 0.38 -0.45 -0.43 1.69 1.57 -1.17 -0.81 116.57 117.34 1om2 h LYS 18 Ca 0.04 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1om2 h LYS 18 Cb 0.87 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1om2 h LYS 18 CO 0.07 -0.30 0.26 0.35 -0.57 0.00 0.00 179.45 179.26 1om2 h PHE 19 N -0.47 0.57 -0.12 -1.35 3.04 -1.26 0.19 116.94 117.55 1om2 h PHE 19 Ca -0.03 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.95 1om2 h PHE 19 Cb 0.39 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 1om2 h PHE 19 CO -0.09 0.40 -0.08 0.35 -2.02 0.00 0.00 178.31 176.87 1om2 h PHE 20 N 0.57 -0.20 -0.36 0.41 3.57 -0.38 0.72 116.94 121.26 1om2 h PHE 20 Ca 0.15 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 1om2 h PHE 20 Cb 0.00 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1om2 h PHE 20 CO -0.03 -0.13 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.75 1om2 h LEU 21 N -0.09 0.60 -1.39 0.59 3.38 -1.02 -0.26 115.31 117.11 1om2 h LEU 21 Ca 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1om2 h LEU 21 Cb 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1om2 h LEU 21 CO -0.17 0.74 0.24 -0.08 0.09 0.00 0.00 178.44 179.25 1om2 h GLU 22 N 0.57 0.65 0.03 1.13 4.81 0.63 0.10 114.58 122.50 1om2 h GLU 22 Ca 0.10 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 1om2 h GLU 22 Cb 0.51 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.77 1om2 h GLU 22 CO 0.03 0.50 -0.64 1.49 -0.73 0.00 0.00 179.01 179.66 1om2 h GLU 23 N 0.65 0.38 -0.37 1.92 4.81 -0.22 0.21 114.58 121.96 1om2 h GLU 23 Ca 0.17 -0.45 0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1om2 h GLU 23 Cb 0.05 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 1om2 h GLU 23 CO -0.02 1.13 -0.00 0.82 -0.73 0.00 0.00 179.01 180.20 1om2 h ILE 24 N -0.17 0.72 0.37 2.32 2.04 -0.82 0.66 117.51 122.62 1om2 h ILE 24 Ca -0.09 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1om2 h ILE 24 Cb 1.37 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1om2 h ILE 24 CO 0.12 0.02 -0.18 1.56 0.00 0.00 0.00 178.15 179.68 1om2 h GLN 25 N 0.10 -0.47 -0.48 2.37 1.08 -0.81 -2.11 115.11 114.79 1om2 h GLN 25 Ca 0.18 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.49 1om2 h GLN 25 Cb 0.25 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.73 1om2 h GLN 25 CO -0.31 -0.19 0.11 1.25 -0.95 0.00 0.00 178.83 178.74 1om2 h LEU 26 N -0.72 0.02 0.30 1.46 7.12 -0.40 0.14 115.31 123.23 1om2 h LEU 26 Ca -0.05 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 1om2 h LEU 26 Cb 0.50 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1om2 h LEU 26 CO 0.08 0.04 -0.17 1.23 -0.13 0.00 0.00 178.44 179.49 1om2 h GLY 27 N 0.25 -0.62 -0.91 3.75 0.00 -0.90 0.54 103.07 105.17 1om2 h GLY 27 Ca 0.24 0.25 0.32 0.00 0.00 0.00 0.00 47.33 48.14 1om2 h GLY 27 CO -0.30 -0.22 0.23 0.83 0.00 0.00 0.00 176.54 177.07 1om2 h GLU 28 N -0.44 0.03 -0.22 4.80 4.39 -1.03 0.17 114.58 122.28 1om2 h GLU 28 Ca -0.04 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1om2 h GLU 28 Cb 0.35 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1om2 h GLU 28 CO 0.05 0.02 0.03 1.49 -1.16 0.00 0.00 179.01 179.44 1om2 h GLU 29 N 0.04 0.36 -0.76 2.33 4.81 -0.50 0.28 114.58 121.13 1om2 h GLU 29 Ca 0.68 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.77 1om2 h GLU 29 Cb 1.56 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.86 1om2 h GLU 29 CO -0.84 0.51 0.33 -0.07 -0.73 0.00 0.00 179.01 178.21 1om2 h LEU 30 N 0.15 1.02 -1.11 1.64 3.38 0.16 -0.95 115.31 119.60 1om2 h LEU 30 Ca 0.06 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1om2 h LEU 30 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1om2 h LEU 30 CO 0.01 0.89 -0.32 -0.07 0.09 0.00 0.00 178.44 179.03 1om2 h LEU 31 N 1.09 0.22 -2.87 1.67 4.07 -0.68 0.16 115.31 118.97 1om2 h LEU 31 Ca 0.26 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 1om2 h LEU 31 Cb 0.17 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 1om2 h LEU 31 CO -0.03 0.54 -0.00 0.00 -1.08 0.00 0.00 178.44 177.87 1om2 h ALA 32 N 1.48 1.02 0.06 1.53 0.00 0.92 -0.22 119.26 124.05 1om2 h ALA 32 Ca 0.03 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.58 1om2 h ALA 32 Cb 0.67 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1om2 h ALA 32 CO 0.05 0.00 -2.06 0.94 0.00 0.00 0.00 179.25 178.18 1om2 n GLN 33 N -3.11 0.71 0.00 0.00 7.27 -0.04 -5.01 117.38 117.20 1om2 n GLN 33 Ca -0.03 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.27 1om2 n GLN 33 Cb 0.09 -1.68 0.00 0.00 2.41 0.00 0.00 30.24 31.06 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 1.93 1.13 2.46 1.69 0.00 0.36 -5.07 105.19 107.69 1om2 n GLY 34 Ca -0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 7.21 -0.32 1.61 -0.08 -0.23 -4.76 116.55 119.98 1om2 n ASP 35 Ca 0.00 -3.13 0.17 0.00 -1.51 0.00 0.00 54.79 50.32 1om2 n ASP 35 Cb 0.00 -1.31 0.35 0.00 2.34 0.00 0.00 41.12 42.50 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 3.79 0.28 -0.84 -0.67 0.05 -1.88 0.65 116.97 118.35 1om2 h TYR 36 Ca 0.54 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 59.37 1om2 h TYR 36 Cb 0.55 0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.28 1om2 h TYR 36 CO 1.56 -0.36 0.48 1.49 -1.05 0.00 0.00 178.16 180.27 1om2 h GLU 37 N 0.09 1.15 -0.10 4.88 4.81 -1.99 -0.55 114.58 122.87 1om2 h GLU 37 Ca 0.63 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.62 1om2 h GLU 37 Cb 1.39 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1om2 h GLU 37 CO -0.79 0.83 -0.48 0.87 -0.73 0.00 0.00 179.01 178.71 1om2 h LYS 38 N 1.17 0.25 -0.70 1.92 1.79 -1.30 -2.59 116.57 117.11 1om2 h LYS 38 Ca 0.30 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1om2 h LYS 38 Cb -0.00 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1om2 h LYS 38 CO -0.05 0.68 0.31 0.78 -1.08 0.00 0.00 179.45 180.09 1om2 h GLY 39 N 1.31 1.08 1.00 3.86 0.00 -0.49 -0.17 103.07 109.65 1om2 h GLY 39 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1om2 h GLY 39 CO 0.07 0.51 0.20 -2.08 0.00 0.00 0.00 176.54 175.25 1om2 h VAL 40 N 1.00 1.09 0.38 4.60 2.07 -0.81 0.24 116.25 124.81 1om2 h VAL 40 Ca 0.24 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1om2 h VAL 40 Cb 0.14 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1om2 h VAL 40 CO -0.03 0.08 -0.18 -0.78 0.02 0.00 0.00 177.57 176.69 1om2 h ASP 41 N 0.41 -0.43 -0.29 0.57 3.58 -1.30 -0.20 116.42 118.77 1om2 h ASP 41 Ca 0.11 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 1om2 h ASP 41 Cb -0.04 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1om2 h ASP 41 CO -0.02 -0.23 0.01 0.45 -2.88 0.00 0.00 179.24 176.56 1om2 h HIS 42 N -0.59 0.63 -0.17 0.28 3.86 -0.96 -0.19 115.15 118.01 1om2 h HIS 42 Ca -0.05 -0.07 -0.11 0.00 -1.16 0.00 0.00 60.37 58.98 1om2 h HIS 42 Cb 0.44 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1om2 h HIS 42 CO -0.03 0.60 -0.32 1.25 0.86 0.00 0.00 177.93 180.30 1om2 h LEU 43 N 0.58 0.57 -1.13 2.43 5.85 -0.44 -0.82 115.31 122.35 1om2 h LEU 43 Ca 0.12 -0.55 0.16 0.00 0.84 0.00 0.00 57.88 58.45 1om2 h LEU 43 Cb 0.35 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.13 1om2 h LEU 43 CO 0.01 1.01 0.61 0.74 -0.34 0.00 0.00 178.44 180.47 1om2 h THR 44 N 0.15 0.81 -0.39 1.05 2.02 -0.37 0.40 112.91 116.58 1om2 h THR 44 Ca 0.01 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 1om2 h THR 44 Cb 0.91 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1om2 h THR 44 CO 0.07 0.14 -0.15 0.78 0.37 0.00 0.00 175.52 176.74 1om2 h ASN 45 N 0.79 0.80 -0.73 4.18 2.35 -0.85 -1.36 115.58 120.75 1om2 h ASN 45 Ca 0.51 -0.39 0.08 0.00 -0.55 0.00 0.00 56.30 55.95 1om2 h ASN 45 Cb 0.75 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 1om2 h ASN 45 CO -0.28 1.01 0.40 0.00 -1.65 0.00 0.00 177.43 176.91 1om2 h ALA 46 N 0.82 1.01 -0.62 -0.83 0.00 0.54 0.62 119.26 120.80 1om2 h ALA 46 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1om2 h ALA 46 Cb 0.69 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1om2 h ALA 46 CO 0.05 0.05 0.23 0.82 0.00 0.00 0.00 179.25 180.40 1om2 h ILE 47 N 0.71 1.22 -0.08 0.00 5.03 -0.93 -0.37 117.51 123.09 1om2 h ILE 47 Ca 0.34 -0.72 -0.03 0.00 -0.12 0.00 0.00 64.86 64.33 1om2 h ILE 47 Cb 0.28 0.50 -0.01 0.00 -3.03 0.00 0.00 36.82 34.57 1om2 h ILE 47 CO -0.22 0.29 -0.09 0.00 -0.68 0.00 0.00 178.15 177.44 1om2 h ALA 48 N 1.35 1.71 0.00 1.87 0.00 0.24 0.48 119.26 124.92 1om2 h ALA 48 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1om2 h ALA 48 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1om2 h ALA 48 CO -0.02 0.22 -1.66 1.33 0.00 0.00 0.00 179.25 179.12 1om2 n VAL 49 N -4.37 0.03 -0.08 0.00 0.24 -0.74 -4.50 118.33 108.92 1om2 n VAL 49 Ca -0.02 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.34 61.76 1om2 n VAL 49 Cb 0.20 0.24 -0.11 0.00 -1.47 0.00 0.00 33.84 32.71 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 1.55 0.79 2.56 0.00 0.00 0.12 -4.92 105.19 105.30 1om2 n GLY 51 Ca -0.18 0.00 -0.24 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 -2.38 2.19 -0.06 1.61 -0.06 -1.26 -4.98 117.38 112.45 1om2 n GLN 52 Ca 0.00 -4.21 -0.10 0.00 -2.00 0.00 0.00 57.00 50.69 1om2 n GLN 52 Cb 0.00 -1.98 -0.03 0.00 -4.06 0.00 0.00 30.24 24.17 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 3.23 -0.34 -0.64 3.69 0.13 -1.91 -2.61 132.00 133.55 1om2 h PRO 53 Ca 0.12 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.35 1om2 h PRO 53 Cb 0.71 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 31.85 1om2 h PRO 53 CO 0.69 -0.22 0.31 1.96 -0.23 0.00 0.00 178.00 180.51 1om2 h GLN 54 N -0.35 0.54 -0.46 0.86 4.20 -1.98 0.29 115.11 118.22 1om2 h GLN 54 Ca 0.13 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1om2 h GLN 54 Cb 0.56 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1om2 h GLN 54 CO -0.45 0.36 0.30 0.37 -0.67 0.00 0.00 178.83 178.74 1om2 h GLN 55 N 0.56 0.59 -0.60 1.46 4.15 -1.94 -0.55 115.11 118.78 1om2 h GLN 55 Ca 0.31 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.64 1om2 h GLN 55 Cb 0.29 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1om2 h GLN 55 CO -0.24 0.39 0.15 1.25 -1.93 0.00 0.00 178.83 178.45 1om2 h LEU 56 N 0.60 0.91 -1.13 -2.39 5.85 -0.90 -0.34 115.31 117.91 1om2 h LEU 56 Ca 0.17 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1om2 h LEU 56 Cb -0.05 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1om2 h LEU 56 CO -0.05 0.90 0.15 -0.07 -0.34 0.00 0.00 178.44 179.04 1om2 h LEU 57 N 0.87 0.71 -0.25 2.25 3.38 0.03 0.14 115.31 122.44 1om2 h LEU 57 Ca 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1om2 h LEU 57 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1om2 h LEU 57 CO 0.00 0.68 0.05 1.56 0.09 0.00 0.00 178.44 180.82 1om2 h GLN 58 N 0.75 0.40 -0.68 1.13 4.20 -0.77 -0.13 115.11 120.01 1om2 h GLN 58 Ca 0.17 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1om2 h GLN 58 Cb 0.23 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1om2 h GLN 58 CO -0.01 0.51 0.45 -0.24 -0.67 0.00 0.00 178.83 178.87 1om2 h VAL 59 N 0.22 1.11 0.00 -0.54 3.04 -0.25 0.72 116.25 120.55 1om2 h VAL 59 Ca 0.08 -0.29 -0.17 0.00 -1.01 0.00 0.00 66.70 65.32 1om2 h VAL 59 Cb 0.29 0.20 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 1om2 h VAL 59 CO 0.00 0.15 -0.79 -0.07 -1.01 0.00 0.00 177.57 175.86 1om2 h LEU 60 N 0.83 0.00 0.10 3.16 -0.00 -0.53 -2.76 115.31 116.11 1om2 h LEU 60 Ca 0.27 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.86 1om2 h LEU 60 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1om2 h LEU 60 CO -0.07 0.79 -1.40 -0.61 -0.00 0.00 0.00 178.44 177.15 1om2 h GLN 61 N 0.00 0.21 0.00 1.13 -0.00 -0.20 -3.33 115.11 112.92 1om2 h GLN 61 Ca -0.01 -0.35 -0.16 0.00 -0.00 0.00 0.00 58.65 58.13 1om2 h GLN 61 Cb 1.55 0.13 -0.03 0.00 0.00 0.00 0.00 27.48 29.13 1om2 h GLN 61 CO 0.10 1.09 -1.33 -0.56 0.00 0.00 0.00 178.83 178.12 1om2 h GLN 62 N 0.06 0.00 0.00 1.69 -0.00 -0.98 -3.36 115.11 112.51 1om2 h GLN 62 Ca -0.19 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.31 1om2 h GLN 62 Cb 1.97 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.43 1om2 h GLN 62 CO 0.16 0.30 -0.73 0.00 -0.00 0.00 0.00 178.83 178.56 1om2 h THR 63 N 0.00 1.28 -1.63 1.86 1.03 -1.66 -3.47 112.91 110.31 1om2 h THR 63 Ca -0.15 -2.75 0.12 0.00 -0.01 0.00 0.00 66.41 63.63 1om2 h THR 63 Cb 1.55 2.59 -0.21 0.00 -1.07 0.00 0.00 68.15 71.01 1om2 h THR 63 CO 0.05 0.72 0.61 -1.48 -0.01 0.00 0.00 175.52 175.40 1om2 s LEU 64 N -6.64 -0.31 -0.21 0.00 0.05 -1.25 -5.11 118.68 105.21 1om2 s LEU 64 Ca 0.02 0.24 -0.29 0.00 0.05 0.00 0.00 54.13 54.15 1om2 s LEU 64 Cb 0.09 1.75 -0.03 0.00 -2.05 0.00 0.00 46.19 45.95 1om2 s LEU 64 CO 0.78 -0.35 1.66 -2.16 -0.55 0.00 0.00 176.35 175.73 1om2 s PRO 65 N -1.64 3.77 -0.69 1.48 0.04 -1.26 -4.25 135.00 132.45 1om2 s PRO 65 Ca 0.02 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 1om2 s PRO 65 Cb -0.01 -4.06 0.16 0.00 0.04 0.00 0.00 34.50 30.64 1om2 s PRO 65 CO -0.02 -1.33 0.69 -1.25 0.04 0.00 0.00 177.00 175.12 1om2 s PRO 66 N 4.76 3.29 0.53 0.56 0.04 -1.26 -4.90 135.00 138.02 1om2 s PRO 66 Ca 0.74 -1.95 0.32 0.00 0.04 0.00 0.00 61.00 60.14 1om2 s PRO 66 Cb -0.26 -4.39 1.32 0.00 0.04 0.00 0.00 34.50 31.21 1om2 s PRO 66 CO 0.30 -1.38 1.97 -1.00 0.04 0.00 0.00 177.00 176.93 1om2 h PRO 67 N 8.49 0.00 -0.05 0.56 0.13 -1.97 -3.07 132.00 136.10 1om2 h PRO 67 Ca -0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1om2 h PRO 67 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1om2 h PRO 67 CO 0.94 0.05 -0.05 0.28 -0.23 0.00 0.00 178.00 178.99 1om2 h VAL 68 N 0.00 1.39 -0.87 1.56 2.07 -1.98 -3.18 116.25 115.24 1om2 h VAL 68 Ca -0.00 -1.24 0.20 0.00 0.82 0.00 0.00 66.70 66.48 1om2 h VAL 68 Cb 0.53 2.12 -0.16 0.00 -1.52 0.00 0.00 31.29 32.26 1om2 h VAL 68 CO 0.01 0.34 -0.08 0.15 0.02 0.00 0.00 177.57 178.01 1om2 h PHE 69 N -0.35 -0.22 -0.51 1.57 3.04 -1.96 0.31 116.94 118.83 1om2 h PHE 69 Ca 0.01 0.07 -0.08 0.00 3.98 0.00 0.00 57.97 61.95 1om2 h PHE 69 Cb 0.57 0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 1om2 h PHE 69 CO 0.10 -0.35 0.01 -0.56 -2.02 0.00 0.00 178.31 175.48 1om2 h GLN 70 N 0.04 0.86 -0.23 1.11 3.07 -1.65 -0.83 115.11 117.48 1om2 h GLN 70 Ca 0.47 -0.24 -0.04 0.00 0.09 0.00 0.00 58.65 58.94 1om2 h GLN 70 Cb 0.84 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.29 1om2 h GLN 70 CO -0.84 0.85 -0.02 0.52 0.09 0.00 0.00 178.83 179.43 1om2 h MET 71 N 0.80 0.34 -0.41 0.06 2.86 -0.50 -0.17 114.93 117.90 1om2 h MET 71 Ca 0.15 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1om2 h MET 71 Cb 0.47 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1om2 h MET 71 CO 0.02 0.39 -0.18 1.25 1.06 0.00 0.00 176.91 179.45 1om2 h LEU 72 N 0.33 0.88 -0.81 1.22 5.85 -0.01 0.18 115.31 122.96 1om2 h LEU 72 Ca 0.08 -0.40 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 1om2 h LEU 72 Cb 0.27 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1om2 h LEU 72 CO 0.01 1.08 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.67 1om2 h LEU 73 N 0.68 0.36 -0.19 2.25 3.38 0.04 -2.95 115.31 118.87 1om2 h LEU 73 Ca 0.09 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1om2 h LEU 73 Cb 0.74 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1om2 h LEU 73 CO 0.06 0.76 -0.77 0.71 0.09 0.00 0.00 178.44 179.29 1om2 h THR 74 N 0.27 1.39 0.00 0.22 1.35 -0.98 -3.13 112.91 112.03 1om2 h THR 74 Ca 0.02 -2.77 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 1om2 h THR 74 Cb 0.90 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 1om2 h THR 74 CO 0.07 0.75 0.00 0.29 -0.25 0.00 0.00 175.52 176.38 1om2 n LYS 75 N -3.40 0.08 0.04 4.72 4.76 0.04 -3.77 118.16 120.63 1om2 n LYS 75 Ca 0.00 0.42 -0.02 0.00 -2.87 0.00 0.00 58.31 55.84 1om2 n LYS 75 Cb 0.81 -1.68 -0.01 0.00 -1.84 0.00 0.00 35.03 32.31 1om2 n LYS 75 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1om2 h LEU 76 N 0.00 -0.11 -9.78 -0.35 3.38 -1.61 -3.45 115.31 103.40 1om2 h LEU 76 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 1om2 h LEU 76 Cb 0.19 0.03 0.07 0.00 0.09 0.00 0.00 40.66 41.03 1om2 h LEU 76 CO 0.00 0.01 0.81 -2.16 0.09 0.00 0.00 178.44 177.18 1om2 s PRO 77 N -2.08 4.21 0.00 1.13 0.04 -1.25 -4.89 135.00 132.16 1om2 s PRO 77 Ca -0.02 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1om2 s PRO 77 Cb 0.00 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1om2 s PRO 77 CO 0.06 -0.50 0.00 2.41 0.04 0.00 0.00 177.00 179.00 1om2 n THR 78 N 2.19 0.00 -0.02 1.26 -1.04 -1.26 -4.79 114.28 110.62 1om2 n THR 78 Ca 0.07 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.98 1om2 n THR 78 Cb 0.39 -0.39 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1om2 n THR 78 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1om2 h ILE 79 N 0.00 1.01 -0.76 12.58 5.03 -2.00 -2.30 117.51 131.06 1om2 h ILE 79 Ca 0.00 -0.06 0.11 0.00 -0.12 0.00 0.00 64.86 64.79 1om2 h ILE 79 Cb 0.19 0.82 -0.08 0.00 -3.03 0.00 0.00 36.82 34.72 1om2 h ILE 79 CO 0.00 0.03 0.38 -1.28 -0.68 0.00 0.00 178.15 176.61 1om2 h SER 80 N 0.18 0.49 -0.95 1.72 0.87 -1.99 -0.72 113.55 113.14 1om2 h SER 80 Ca 0.06 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1om2 h SER 80 Cb -0.00 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.90 1om2 h SER 80 CO -0.03 0.26 0.59 -0.61 -0.53 0.00 0.00 176.83 176.51 1om2 h GLN 81 N 0.62 1.27 -0.52 2.24 5.75 -1.75 -2.70 115.11 120.03 1om2 h GLN 81 Ca 0.39 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1om2 h GLN 81 Cb 0.46 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 1om2 h GLN 81 CO -0.30 0.87 0.34 -0.09 -2.65 0.00 0.00 178.83 177.00 1om2 h ARG 82 N 1.30 0.68 0.20 1.69 9.65 -0.61 0.41 114.38 127.70 1om2 h ARG 82 Ca 0.34 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.17 1om2 h ARG 82 Cb -0.09 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 1om2 h ARG 82 CO -0.07 0.46 -0.13 0.82 2.80 0.00 0.00 179.97 183.85 1om2 h ILE 83 N 0.70 0.71 -0.68 1.20 1.08 -1.15 -2.80 117.51 116.57 1om2 h ILE 83 Ca 0.19 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.67 1om2 h ILE 83 Cb -0.07 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.36 1om2 h ILE 83 CO -0.04 0.00 0.45 0.58 -0.69 0.00 0.00 178.15 178.45 1om2 h VAL 84 N -0.33 1.16 0.00 1.67 2.07 -1.36 -2.72 116.25 116.74 1om2 h VAL 84 Ca -0.01 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 1om2 h VAL 84 Cb 0.28 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1om2 h VAL 84 CO 0.01 0.17 -0.22 -1.20 0.02 0.00 0.00 177.57 176.34 1om2 n SER 85 N -4.62 5.19 0.00 0.57 7.64 0.12 -4.72 113.62 117.80 1om2 n SER 85 Ca 0.06 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.51 1om2 n SER 85 Cb 0.03 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 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 2.11 0.00 -3.97 -0.43 0.00 -1.03 -4.91 120.51 112.28 1om2 n ALA 86 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.41 1om2 n ALA 86 Cb 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 0.00 -3.96 0.00 0.00 7.27 -1.25 -4.38 117.38 115.05 1om2 n GLN 87 Ca 0.00 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.54 1om2 n GLN 87 Cb 0.00 -4.95 0.00 0.00 2.41 0.00 0.00 30.24 27.70 1om2 n GLN 87 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1om2 n SER 88 N -2.89 0.00 -1.83 1.69 3.41 -1.26 -4.95 113.62 107.79 1om2 n SER 88 Ca -0.15 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.30 1om2 n SER 88 Cb 0.61 0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.69 1om2 n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1om2 n LEU 89 N -2.04 6.01 -3.52 1.04 -0.00 -1.26 -4.80 117.00 112.43 1om2 n LEU 89 Ca 0.00 -3.11 -0.14 0.00 -0.00 0.00 0.00 56.01 52.76 1om2 n LEU 89 Cb 0.00 -0.92 -0.05 0.00 -0.00 0.00 0.00 43.42 42.45 1om2 n LEU 89 CO 0.00 1.09 0.55 -0.83 -0.00 0.00 0.00 177.39 178.20 1om2 s GLY 90 N -0.07 -0.49 0.84 1.47 0.00 -1.26 -5.02 107.32 102.80 1om2 s GLY 90 Ca 0.33 1.35 -0.12 0.00 0.00 0.00 0.00 44.72 46.28 1om2 s GLY 90 CO 0.02 0.79 1.10 -0.54 0.00 0.00 0.00 173.10 174.46 1om2 s GLU 91 N -1.77 1.71 0.00 2.90 8.01 -1.26 -4.83 118.70 123.45 1om2 s GLU 91 Ca -0.05 0.64 0.00 0.00 0.01 0.00 0.00 54.97 55.57 1om2 s GLU 91 Cb -0.00 -1.88 0.00 0.00 -4.31 0.00 0.00 34.13 27.94 1om2 s GLU 91 CO 0.02 -1.88 0.00 -3.47 0.01 0.00 0.00 175.26 169.94 1om2 n ASP 92 N -3.61 0.67 -4.29 -0.19 2.03 -1.26 -5.00 116.55 104.91 1om2 n ASP 92 Ca 0.07 -0.17 -0.29 0.00 0.52 0.00 0.00 54.79 54.92 1om2 n ASP 92 Cb 0.56 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.15 1om2 n ASP 92 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1om2 s ASP 93 N -0.44 2.36 0.00 1.67 -1.08 -1.26 -5.02 116.67 112.90 1om2 s ASP 93 Ca 0.00 0.73 0.00 0.00 -0.52 0.00 0.00 52.55 52.76 1om2 s ASP 93 Cb 0.00 -1.09 0.00 0.00 -1.46 0.00 0.00 42.92 40.37 1om2 s ASP 93 CO 0.00 -3.24 0.00 0.52 0.52 0.00 0.00 175.17 172.97 1om2 n VAL 94 N -4.19 0.00 1.83 1.11 0.31 -1.26 -5.33 118.33 110.81 1om2 n VAL 94 Ca 0.10 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.59 1om2 n VAL 94 Cb 0.59 -0.31 0.80 0.00 -0.91 0.00 0.00 33.84 34.02 1om2 n VAL 94 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72