#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 -0.99 1.04 7.54 0.00 -1.26 -5.19 121.76 122.90 1om2 s ALA 2 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1om2 s ALA 2 Cb 0.00 0.75 0.12 0.00 0.00 0.00 0.00 23.12 23.99 1om2 s ALA 2 CO 0.00 -1.01 0.59 0.41 0.00 0.00 0.00 175.76 175.75 1om2 n GLY 3 N -0.51 -1.72 3.19 0.00 0.00 -1.26 -5.11 105.19 99.77 1om2 n GLY 3 Ca -0.06 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 0.36 0.27 0.99 1.98 -1.26 -5.17 118.68 115.85 1om2 s LEU 4 Ca 0.35 0.70 -0.19 0.00 -2.89 0.00 0.00 54.13 52.10 1om2 s LEU 4 Cb -0.02 1.08 0.07 0.00 0.66 0.00 0.00 46.19 47.99 1om2 s LEU 4 CO 0.25 -0.16 0.95 -0.55 -1.89 0.00 0.00 176.35 174.95 1om2 s SER 5 N 0.92 0.02 0.14 3.68 0.15 -1.26 -5.16 113.70 112.19 1om2 s SER 5 Ca -0.06 -0.89 -0.17 0.00 0.70 0.00 0.00 55.95 55.53 1om2 s SER 5 Cb -0.07 0.64 -0.07 0.00 -1.71 0.00 0.00 66.02 64.82 1om2 s SER 5 CO -0.07 -1.29 0.59 -0.54 1.20 0.00 0.00 173.24 173.13 1om2 s LYS 6 N -2.13 4.09 -1.11 5.44 3.01 -1.26 -4.48 119.74 123.31 1om2 s LYS 6 Ca 0.20 0.63 -0.25 0.00 -1.01 0.00 0.00 55.97 55.54 1om2 s LYS 6 Cb -0.04 -3.01 0.03 0.00 -1.01 0.00 0.00 37.83 33.81 1om2 s LYS 6 CO 0.08 0.51 0.68 1.28 0.51 0.00 0.00 175.35 178.40 1om2 n LEU 7 N 1.04 -0.95 0.39 3.17 4.77 -1.26 -4.93 117.00 119.24 1om2 n LEU 7 Ca -0.06 -1.18 -0.16 0.00 -0.03 0.00 0.00 56.01 54.58 1om2 n LEU 7 Cb 0.51 -1.71 -0.07 0.00 -2.33 0.00 0.00 43.42 39.82 1om2 n LEU 7 CO 0.42 0.66 0.43 1.55 -1.33 0.00 0.00 177.39 179.12 1om2 h PRO 8 N -1.97 -0.98 0.00 3.23 0.13 -1.93 -3.45 132.00 127.04 1om2 h PRO 8 Ca -0.68 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1om2 h PRO 8 Cb 1.40 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.75 1om2 h PRO 8 CO 0.48 -0.65 0.00 -3.47 -0.23 0.00 0.00 178.00 174.12 1om2 n ASP 9 N -5.24 0.00 0.00 1.44 2.03 -1.26 -5.05 116.55 108.46 1om2 n ASP 9 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1om2 n ASP 9 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.01 0.00 -0.32 -2.67 4.77 -1.26 -4.81 117.00 112.70 1om2 n LEU 10 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1om2 n LEU 10 Cb 0.00 -0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.29 1om2 n LEU 10 CO 0.00 0.00 1.26 0.11 -1.33 0.00 0.00 177.39 177.43 1om2 h LYS 11 N 1.07 1.06 -6.59 3.23 6.56 -2.02 -3.40 116.57 116.48 1om2 h LYS 11 Ca 0.00 -0.06 -0.51 0.00 -1.06 0.00 0.00 60.65 59.01 1om2 h LYS 11 Cb 0.00 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 31.40 1om2 h LYS 11 CO 0.00 0.70 0.37 -0.51 -2.06 0.00 0.00 179.45 177.95 1om2 s ASP 12 N -6.03 7.50 0.05 0.86 1.11 -1.26 -4.96 116.67 113.94 1om2 s ASP 12 Ca -0.12 1.82 -0.12 0.00 0.18 0.00 0.00 52.55 54.32 1om2 s ASP 12 Cb 0.20 -2.59 -0.33 0.00 1.07 0.00 0.00 42.92 41.26 1om2 s ASP 12 CO 0.80 -0.05 1.05 0.00 1.18 0.00 0.00 175.17 178.15 1om2 h ALA 13 N 5.42 -0.07 -0.96 5.23 0.00 -2.00 -3.20 119.26 123.68 1om2 h ALA 13 Ca -0.43 -0.86 0.03 0.00 0.00 0.00 0.00 54.91 53.64 1om2 h ALA 13 Cb 1.21 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1om2 h ALA 13 CO 0.71 0.79 0.63 0.93 0.00 0.00 0.00 179.25 182.31 1om2 h GLU 14 N 0.13 1.20 -0.58 0.00 5.08 -1.95 0.21 114.58 118.67 1om2 h GLU 14 Ca -0.21 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 1om2 h GLU 14 Cb 2.10 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 1om2 h GLU 14 CO 0.25 0.79 -0.06 0.00 -1.00 0.00 0.00 179.01 178.99 1om2 h ALA 15 N 1.38 0.80 -0.39 3.43 0.00 -1.97 0.11 119.26 122.62 1om2 h ALA 15 Ca 0.38 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1om2 h ALA 15 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1om2 h ALA 15 CO -0.11 0.67 -0.32 0.28 0.00 0.00 0.00 179.25 179.77 1om2 h VAL 16 N 0.95 1.28 -0.35 0.00 2.07 -1.41 -0.90 116.25 117.89 1om2 h VAL 16 Ca 0.16 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.13 1om2 h VAL 16 Cb 0.63 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1om2 h VAL 16 CO 0.04 0.50 -0.05 -0.61 0.02 0.00 0.00 177.57 177.47 1om2 h GLN 17 N 0.73 0.65 0.46 1.57 5.75 -0.32 0.12 115.11 124.07 1om2 h GLN 17 Ca 0.08 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 1om2 h GLN 17 Cb 0.88 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.39 1om2 h GLN 17 CO 0.08 0.80 -0.23 0.87 -2.65 0.00 0.00 178.83 177.70 1om2 h LYS 18 N 0.45 -0.60 -0.41 1.69 1.57 -0.59 -1.22 116.57 117.45 1om2 h LYS 18 Ca 0.09 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1om2 h LYS 18 Cb 0.54 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1om2 h LYS 18 CO 0.03 -0.40 0.24 0.35 -0.57 0.00 0.00 179.45 179.09 1om2 h PHE 19 N -0.63 0.56 -0.37 -1.35 3.04 -1.17 0.99 116.94 118.00 1om2 h PHE 19 Ca -0.06 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.94 1om2 h PHE 19 Cb 0.48 -0.18 -0.06 0.00 2.56 0.00 0.00 35.95 38.76 1om2 h PHE 19 CO -0.05 0.41 0.03 0.35 -2.02 0.00 0.00 178.31 177.03 1om2 h PHE 20 N 0.54 0.03 -0.58 0.41 3.57 -0.63 0.11 116.94 120.39 1om2 h PHE 20 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1om2 h PHE 20 Cb 0.03 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1om2 h PHE 20 CO -0.03 -0.04 0.02 -0.07 -2.23 0.00 0.00 178.31 175.96 1om2 h LEU 21 N 0.13 0.98 -1.43 0.59 3.38 -1.04 -0.54 115.31 117.38 1om2 h LEU 21 Ca 0.18 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1om2 h LEU 21 Cb 0.24 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1om2 h LEU 21 CO -0.28 1.04 0.45 -0.08 0.09 0.00 0.00 178.44 179.66 1om2 h GLU 22 N 0.90 0.67 0.07 1.13 4.81 0.33 0.11 114.58 122.59 1om2 h GLU 22 Ca 0.17 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 1om2 h GLU 22 Cb 0.52 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.77 1om2 h GLU 22 CO 0.03 0.45 -0.60 1.49 -0.73 0.00 0.00 179.01 179.65 1om2 h GLU 23 N 0.69 0.29 -0.39 1.92 4.81 -0.67 0.70 114.58 121.92 1om2 h GLU 23 Ca 0.29 -0.40 0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1om2 h GLU 23 Cb 0.26 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.70 1om2 h GLU 23 CO -0.09 1.13 -0.14 0.82 -0.73 0.00 0.00 179.01 180.00 1om2 h ILE 24 N -0.37 0.52 -0.01 2.32 2.04 -0.75 0.12 117.51 121.38 1om2 h ILE 24 Ca -0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1om2 h ILE 24 Cb 1.39 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1om2 h ILE 24 CO 0.11 0.00 -0.01 1.56 0.00 0.00 0.00 178.15 179.81 1om2 h GLN 25 N -0.06 0.02 -0.54 2.37 4.20 -1.04 -2.32 115.11 117.74 1om2 h GLN 25 Ca 0.19 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.99 1om2 h GLN 25 Cb 0.35 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.05 1om2 h GLN 25 CO -0.44 0.58 0.06 1.25 -0.67 0.00 0.00 178.83 179.61 1om2 h LEU 26 N -0.53 -0.11 0.51 1.46 7.12 -0.66 0.71 115.31 123.81 1om2 h LEU 26 Ca 0.00 0.11 -0.02 0.00 0.13 0.00 0.00 57.88 58.10 1om2 h LEU 26 Cb 0.58 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1om2 h LEU 26 CO 0.00 -0.03 -0.33 1.23 -0.13 0.00 0.00 178.44 179.18 1om2 h GLY 27 N 0.18 -1.02 -0.41 3.75 0.00 -0.81 0.18 103.07 104.95 1om2 h GLY 27 Ca 0.28 0.42 0.26 0.00 0.00 0.00 0.00 47.33 48.30 1om2 h GLY 27 CO -0.40 -0.34 0.41 -2.09 0.00 0.00 0.00 176.54 174.11 1om2 h GLU 28 N -0.79 0.30 -0.54 4.80 4.81 -0.88 0.65 114.58 122.93 1om2 h GLU 28 Ca -0.07 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1om2 h GLU 28 Cb 0.64 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1om2 h GLU 28 CO 0.05 0.20 0.01 1.49 -0.73 0.00 0.00 179.01 180.03 1om2 h GLU 29 N 0.31 0.95 -0.57 1.92 4.81 -0.49 0.10 114.58 121.61 1om2 h GLU 29 Ca 0.62 -0.30 -0.09 0.00 -0.13 0.00 0.00 59.36 59.47 1om2 h GLU 29 Cb 1.31 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1om2 h GLU 29 CO -0.60 0.95 0.01 -0.07 -0.73 0.00 0.00 179.01 178.56 1om2 h LEU 30 N 0.82 0.96 -1.21 1.64 3.38 0.15 -1.87 115.31 119.19 1om2 h LEU 30 Ca 0.15 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1om2 h LEU 30 Cb 0.52 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1om2 h LEU 30 CO 0.03 1.02 -0.33 -0.07 0.09 0.00 0.00 178.44 179.17 1om2 h LEU 31 N 0.91 0.11 -2.94 1.67 4.07 -0.80 0.11 115.31 118.44 1om2 h LEU 31 Ca 0.17 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1om2 h LEU 31 Cb 0.52 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1om2 h LEU 31 CO 0.03 0.44 0.00 0.00 -1.08 0.00 0.00 178.44 177.83 1om2 h ALA 32 N 1.57 1.00 0.09 1.53 0.00 0.05 -0.08 119.26 123.42 1om2 h ALA 32 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 1om2 h ALA 32 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1om2 h ALA 32 CO 0.05 0.00 -2.10 0.94 0.00 0.00 0.00 179.25 178.14 1om2 n GLN 33 N -3.07 0.73 0.00 0.00 7.27 0.00 -5.01 117.38 117.30 1om2 n GLN 33 Ca -0.03 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.28 1om2 n GLN 33 Cb 0.08 -1.67 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 2.04 0.35 2.34 1.69 0.00 0.19 -5.07 105.19 106.72 1om2 n GLY 34 Ca -0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 7.56 -0.32 1.61 -0.08 -0.42 -4.71 116.55 120.19 1om2 n ASP 35 Ca 0.00 -2.85 0.18 0.00 -1.51 0.00 0.00 54.79 50.61 1om2 n ASP 35 Cb 0.00 -1.42 0.36 0.00 2.34 0.00 0.00 41.12 42.40 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 4.20 0.42 -0.68 -0.67 0.05 -1.88 0.12 116.97 118.52 1om2 h TYR 36 Ca 0.62 0.05 0.05 0.00 0.05 0.00 0.00 58.73 59.51 1om2 h TYR 36 Cb 0.57 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.23 1om2 h TYR 36 CO 1.71 -0.29 0.40 0.93 -1.05 0.00 0.00 178.16 179.86 1om2 h GLU 37 N 0.15 0.72 -0.10 4.88 4.39 -2.00 0.15 114.58 122.79 1om2 h GLU 37 Ca 0.63 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 60.14 1om2 h GLU 37 Cb 1.38 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1om2 h GLU 37 CO -0.72 0.48 -0.56 0.87 -1.16 0.00 0.00 179.01 177.92 1om2 h LYS 38 N 0.75 0.29 -0.89 2.33 1.79 -1.21 -2.90 116.57 116.72 1om2 h LYS 38 Ca 0.30 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1om2 h LYS 38 Cb 0.14 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 1om2 h LYS 38 CO -0.16 0.78 0.49 0.78 -1.08 0.00 0.00 179.45 180.26 1om2 h GLY 39 N 1.36 1.33 0.93 3.86 0.00 -0.02 0.98 103.07 111.51 1om2 h GLY 39 Ca 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1om2 h GLY 39 CO 0.09 0.58 0.03 -2.08 0.00 0.00 0.00 176.54 175.16 1om2 h VAL 40 N 1.25 1.08 0.29 4.60 2.07 -0.85 0.15 116.25 124.84 1om2 h VAL 40 Ca 0.31 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1om2 h VAL 40 Cb 0.02 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1om2 h VAL 40 CO -0.05 0.07 -0.14 -0.78 0.02 0.00 0.00 177.57 176.69 1om2 h ASP 41 N 0.01 -0.33 -0.85 0.57 3.58 -1.30 0.40 116.42 118.51 1om2 h ASP 41 Ca 0.02 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1om2 h ASP 41 Cb 0.08 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1om2 h ASP 41 CO -0.00 -0.19 0.44 0.45 -2.88 0.00 0.00 179.24 177.06 1om2 h HIS 42 N -0.44 1.19 -0.31 0.28 3.86 -0.80 -0.19 115.15 118.75 1om2 h HIS 42 Ca -0.04 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.05 1om2 h HIS 42 Cb 0.33 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1om2 h HIS 42 CO -0.04 0.84 -0.12 1.25 0.86 0.00 0.00 177.93 180.72 1om2 h LEU 43 N 1.20 0.64 -1.27 2.43 5.85 -0.54 -0.57 115.31 123.05 1om2 h LEU 43 Ca 0.30 -0.39 0.17 0.00 0.84 0.00 0.00 57.88 58.79 1om2 h LEU 43 Cb 0.07 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 1om2 h LEU 43 CO -0.04 0.88 0.59 0.74 -0.34 0.00 0.00 178.44 180.27 1om2 h THR 44 N 0.38 0.77 -0.37 1.05 2.02 -0.17 0.85 112.91 117.44 1om2 h THR 44 Ca 0.07 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1om2 h THR 44 Cb 0.63 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1om2 h THR 44 CO 0.04 0.12 -0.24 0.78 0.37 0.00 0.00 175.52 176.58 1om2 h ASN 45 N 0.65 0.86 -0.69 4.18 2.35 -0.54 -1.21 115.58 121.18 1om2 h ASN 45 Ca 0.49 -0.43 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1om2 h ASN 45 Cb 0.86 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.93 1om2 h ASN 45 CO -0.24 1.11 0.36 0.00 -1.65 0.00 0.00 177.43 177.01 1om2 h ALA 46 N 0.78 0.95 -0.42 -0.83 0.00 0.73 0.81 119.26 121.28 1om2 h ALA 46 Ca 0.08 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1om2 h ALA 46 Cb 0.81 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1om2 h ALA 46 CO 0.07 -0.01 0.05 0.82 0.00 0.00 0.00 179.25 180.18 1om2 h ILE 47 N 0.64 1.21 0.00 0.00 5.03 -0.96 -0.67 117.51 122.75 1om2 h ILE 47 Ca 0.33 -0.79 -0.04 0.00 -0.12 0.00 0.00 64.86 64.24 1om2 h ILE 47 Cb 0.30 0.84 -0.01 0.00 -3.03 0.00 0.00 36.82 34.92 1om2 h ILE 47 CO -0.23 0.28 -0.20 0.00 -0.68 0.00 0.00 178.15 177.32 1om2 h ALA 48 N 1.44 1.61 0.00 1.87 0.00 0.38 0.74 119.26 125.30 1om2 h ALA 48 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1om2 h ALA 48 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1om2 h ALA 48 CO 0.01 0.25 -1.70 1.33 0.00 0.00 0.00 179.25 179.13 1om2 n VAL 49 N -4.21 0.05 -0.09 0.00 0.24 -0.74 -4.50 118.33 109.08 1om2 n VAL 49 Ca -0.02 -0.40 -0.17 0.00 -2.04 0.00 0.00 64.34 61.71 1om2 n VAL 49 Cb 0.26 0.18 -0.11 0.00 -1.47 0.00 0.00 33.84 32.70 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 1.52 0.72 2.38 0.00 0.00 0.22 -4.92 105.19 105.10 1om2 n GLY 51 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.50 1.65 0.02 1.61 -0.06 -1.26 -4.99 117.38 111.85 1om2 n GLN 52 Ca 0.00 -3.89 -0.10 0.00 -2.00 0.00 0.00 57.00 51.01 1om2 n GLN 52 Cb 0.01 -1.76 -0.04 0.00 -4.06 0.00 0.00 30.24 24.38 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 3.59 -0.34 -1.01 3.69 0.13 -1.91 -2.88 132.00 133.28 1om2 h PRO 53 Ca 0.12 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 65.43 1om2 h PRO 53 Cb 0.79 0.08 -0.10 0.00 0.13 0.00 0.00 31.00 31.90 1om2 h PRO 53 CO 0.62 -0.23 0.62 1.96 -0.23 0.00 0.00 178.00 180.75 1om2 h GLN 54 N -0.35 0.85 -0.09 0.86 4.20 -1.98 0.29 115.11 118.88 1om2 h GLN 54 Ca 0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1om2 h GLN 54 Cb 0.49 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1om2 h GLN 54 CO -0.30 0.57 0.04 0.37 -0.67 0.00 0.00 178.83 178.84 1om2 h GLN 55 N 0.88 0.13 -0.71 1.46 5.75 -1.95 -1.70 115.11 118.97 1om2 h GLN 55 Ca 0.54 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.99 1om2 h GLN 55 Cb 0.70 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 1om2 h GLN 55 CO -0.33 0.21 0.31 1.25 -2.65 0.00 0.00 178.83 177.62 1om2 h LEU 56 N 0.02 0.95 -0.88 -2.39 5.85 -1.01 -1.53 115.31 116.31 1om2 h LEU 56 Ca 0.03 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1om2 h LEU 56 Cb 0.12 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1om2 h LEU 56 CO -0.00 0.83 0.44 -0.07 -0.34 0.00 0.00 178.44 179.30 1om2 h LEU 57 N 1.02 1.12 -0.67 2.25 3.38 -0.15 0.21 115.31 122.47 1om2 h LEU 57 Ca 0.24 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1om2 h LEU 57 Cb 0.16 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1om2 h LEU 57 CO -0.02 0.93 0.12 1.56 0.09 0.00 0.00 178.44 181.11 1om2 h GLN 58 N 1.23 1.10 -0.23 1.13 4.20 -0.92 -0.17 115.11 121.45 1om2 h GLN 58 Ca 0.30 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1om2 h GLN 58 Cb 0.08 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1om2 h GLN 58 CO -0.04 1.00 -0.19 -0.24 -0.67 0.00 0.00 178.83 178.69 1om2 h VAL 59 N 1.02 1.24 0.03 -0.54 3.04 -0.46 -2.25 116.25 118.34 1om2 h VAL 59 Ca 0.20 -1.10 -0.22 0.00 -1.01 0.00 0.00 66.70 64.58 1om2 h VAL 59 Cb 0.43 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 1om2 h VAL 59 CO 0.01 0.35 -1.02 -0.07 -1.01 0.00 0.00 177.57 175.83 1om2 h LEU 60 N 0.37 0.16 -0.50 3.16 -0.00 -0.31 -2.48 115.31 115.72 1om2 h LEU 60 Ca 0.06 -0.16 -0.12 0.00 -0.00 0.00 0.00 57.88 57.67 1om2 h LEU 60 Cb 0.55 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.15 1om2 h LEU 60 CO 0.04 1.08 -0.55 -0.61 -0.00 0.00 0.00 178.44 178.40 1om2 h GLN 61 N 0.04 0.00 0.00 1.13 4.15 -0.78 -3.24 115.11 116.41 1om2 h GLN 61 Ca -0.05 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 1om2 h GLN 61 Cb 1.74 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.41 1om2 h GLN 61 CO 0.15 0.55 -1.71 0.00 -1.93 0.00 0.00 178.83 175.89 1om2 n GLN 62 N -3.45 0.64 0.09 1.69 10.64 -0.87 -4.32 117.38 121.80 1om2 n GLN 62 Ca 0.00 0.05 -0.13 0.00 -1.83 0.00 0.00 57.00 55.10 1om2 n GLN 62 Cb 0.66 -1.68 -0.12 0.00 -0.86 0.00 0.00 30.24 28.25 1om2 n GLN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1om2 h THR 63 N 0.00 1.55 -1.55 -0.39 1.03 -1.53 -3.47 112.91 108.55 1om2 h THR 63 Ca -0.18 -3.08 0.08 0.00 -0.01 0.00 0.00 66.41 63.23 1om2 h THR 63 Cb 1.49 2.85 -0.24 0.00 -1.07 0.00 0.00 68.15 71.17 1om2 h THR 63 CO 0.02 0.89 0.54 -1.48 -0.01 0.00 0.00 175.52 175.49 1om2 s LEU 64 N -7.10 -0.38 -0.22 0.00 2.34 -1.22 -5.11 118.68 107.00 1om2 s LEU 64 Ca -0.03 0.49 -0.29 0.00 0.06 0.00 0.00 54.13 54.37 1om2 s LEU 64 Cb 0.08 1.84 -0.04 0.00 -0.56 0.00 0.00 46.19 47.51 1om2 s LEU 64 CO 0.86 -0.29 1.92 -2.16 -1.06 0.00 0.00 176.35 175.62 1om2 s PRO 65 N -0.79 3.48 -0.49 1.48 0.04 -1.26 -4.41 135.00 133.06 1om2 s PRO 65 Ca -0.00 1.85 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 1om2 s PRO 65 Cb -0.02 -4.21 0.06 0.00 0.04 0.00 0.00 34.50 30.37 1om2 s PRO 65 CO -0.01 -1.69 0.55 -1.25 0.04 0.00 0.00 177.00 174.65 1om2 s PRO 66 N 5.50 3.09 0.15 0.56 0.04 -1.26 -4.93 135.00 138.15 1om2 s PRO 66 Ca 0.86 -0.97 -0.05 0.00 0.04 0.00 0.00 61.00 60.88 1om2 s PRO 66 Cb -0.29 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.14 1om2 s PRO 66 CO 0.34 -1.13 1.38 -1.00 0.04 0.00 0.00 177.00 176.63 1om2 h PRO 67 N 8.90 0.50 -0.39 0.56 0.13 -1.99 -3.24 132.00 136.47 1om2 h PRO 67 Ca -0.28 -0.43 0.05 0.00 -0.87 0.00 0.00 66.00 64.47 1om2 h PRO 67 Cb 1.10 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1om2 h PRO 67 CO 0.92 1.06 0.14 0.28 -0.23 0.00 0.00 178.00 180.17 1om2 h VAL 68 N 0.33 0.89 -0.81 1.56 2.07 -1.98 -1.75 116.25 116.55 1om2 h VAL 68 Ca -0.05 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.57 1om2 h VAL 68 Cb 1.38 0.57 -0.13 0.00 -1.52 0.00 0.00 31.29 31.58 1om2 h VAL 68 CO 0.14 0.05 0.12 0.15 0.02 0.00 0.00 177.57 178.06 1om2 h PHE 69 N 0.30 0.16 -0.59 1.57 3.57 -1.98 0.41 116.94 120.38 1om2 h PHE 69 Ca 0.18 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1om2 h PHE 69 Cb 0.15 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1om2 h PHE 69 CO -0.15 -0.21 0.39 0.37 -2.23 0.00 0.00 178.31 176.48 1om2 h GLN 70 N 0.17 0.74 -0.01 1.11 5.75 -1.40 -0.18 115.11 121.29 1om2 h GLN 70 Ca 0.48 -0.04 -0.20 0.00 -0.15 0.00 0.00 58.65 58.73 1om2 h GLN 70 Cb 0.90 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 1om2 h GLN 70 CO -0.65 0.49 -0.86 0.52 -2.65 0.00 0.00 178.83 175.68 1om2 h MET 71 N 0.77 0.27 -0.65 1.69 2.86 -0.19 -2.30 114.93 117.37 1om2 h MET 71 Ca 0.23 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1om2 h MET 71 Cb -0.03 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1om2 h MET 71 CO -0.05 0.98 0.41 1.25 1.06 0.00 0.00 176.91 180.56 1om2 h LEU 72 N 0.16 0.77 -1.72 1.22 5.85 0.74 0.20 115.31 122.52 1om2 h LEU 72 Ca -0.05 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1om2 h LEU 72 Cb 1.48 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1om2 h LEU 72 CO 0.14 0.58 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.64 1om2 h LEU 73 N 0.88 0.00 0.00 2.25 3.38 -0.91 -2.35 115.31 118.57 1om2 h LEU 73 Ca 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1om2 h LEU 73 Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1om2 h LEU 73 CO -0.05 0.10 -1.39 1.07 0.09 0.00 0.00 178.44 178.27 1om2 n THR 74 N -3.38 0.88 -0.00 0.22 5.66 -0.63 -4.09 114.28 112.94 1om2 n THR 74 Ca -0.01 -0.63 -0.18 0.00 -3.05 0.00 0.00 64.05 60.18 1om2 n THR 74 Cb 0.28 -0.51 -0.08 0.00 -1.55 0.00 0.00 70.33 68.48 1om2 n THR 74 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1om2 h LYS 75 N 0.00 0.77 0.06 1.09 1.63 -0.20 -3.37 116.57 116.55 1om2 h LYS 75 Ca -0.11 -0.69 0.00 0.00 -0.85 0.00 0.00 60.65 59.00 1om2 h LYS 75 Cb 1.36 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 33.14 1om2 h LYS 75 CO 0.02 1.28 -0.15 -0.07 -3.45 0.00 0.00 179.45 177.08 1om2 h LEU 76 N 0.50 -0.45-10.01 5.20 3.38 -1.58 -3.43 115.31 108.92 1om2 h LEU 76 Ca -0.08 0.04 -0.47 0.00 0.09 0.00 0.00 57.88 57.47 1om2 h LEU 76 Cb 1.50 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1om2 h LEU 76 CO 0.17 -0.17 0.23 -2.16 0.09 0.00 0.00 178.44 176.60 1om2 s PRO 77 N -3.81 4.18 0.00 1.13 0.04 -1.26 -4.99 135.00 130.30 1om2 s PRO 77 Ca -0.05 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1om2 s PRO 77 Cb 0.02 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1om2 s PRO 77 CO 0.17 0.11 0.00 2.41 0.04 0.00 0.00 177.00 179.74 1om2 n THR 78 N -0.29 0.00 -0.13 1.26 -1.04 -1.26 -4.76 114.28 108.06 1om2 n THR 78 Ca 0.04 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.98 1om2 n THR 78 Cb 0.53 -1.07 0.01 0.00 -1.82 0.00 0.00 70.33 67.98 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 1.06 -0.58 12.58 5.03 -2.00 -2.80 117.51 130.81 1om2 h ILE 79 Ca 0.00 -0.18 0.12 0.00 -0.12 0.00 0.00 64.86 64.68 1om2 h ILE 79 Cb 0.67 0.51 -0.11 0.00 -3.03 0.00 0.00 36.82 34.86 1om2 h ILE 79 CO 0.00 0.09 -0.13 -1.28 -0.68 0.00 0.00 178.15 176.15 1om2 h SER 80 N 0.51 -0.51 -0.74 1.72 0.87 -2.00 0.27 113.55 113.67 1om2 h SER 80 Ca 0.16 0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.91 1om2 h SER 80 Cb -0.02 0.35 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 1om2 h SER 80 CO -0.06 -0.18 0.49 1.56 -0.53 0.00 0.00 176.83 178.11 1om2 h GLN 81 N 0.01 0.94 -0.70 2.24 4.20 -1.80 -2.25 115.11 117.76 1om2 h GLN 81 Ca 0.28 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 1om2 h GLN 81 Cb 0.43 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1om2 h GLN 81 CO -0.59 0.62 0.15 -0.09 -0.67 0.00 0.00 178.83 178.25 1om2 h ARG 82 N 0.97 1.13 0.27 1.46 2.43 -0.82 -0.88 114.38 118.94 1om2 h ARG 82 Ca 0.28 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1om2 h ARG 82 Cb -0.05 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1om2 h ARG 82 CO -0.07 1.01 -0.13 0.82 -1.51 0.00 0.00 179.97 180.09 1om2 h ILE 83 N 1.07 0.74 -0.60 1.20 1.08 -0.77 -2.74 117.51 117.48 1om2 h ILE 83 Ca 0.22 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.70 1om2 h ILE 83 Cb 0.41 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 34.87 1om2 h ILE 83 CO 0.01 0.01 0.29 0.58 -0.69 0.00 0.00 178.15 178.35 1om2 h VAL 84 N -0.39 0.89 0.00 1.67 2.07 -1.38 0.15 116.25 119.26 1om2 h VAL 84 Ca -0.04 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1om2 h VAL 84 Cb 0.30 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1om2 h VAL 84 CO 0.06 0.10 -0.05 -1.20 0.02 0.00 0.00 177.57 176.50 1om2 n SER 85 N -4.89 4.40 0.14 0.57 7.64 -0.35 -1.22 113.62 119.91 1om2 n SER 85 Ca 0.07 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.76 1om2 n SER 85 Cb 0.20 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 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 1.78 0.00 -0.33 -0.43 0.00 -0.87 -4.64 120.51 116.02 1om2 n ALA 86 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.53 1om2 n ALA 86 Cb 0.48 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.18 -0.15 -0.99 0.00 7.27 0.48 -1.16 117.38 119.66 1om2 n GLN 87 Ca 0.00 1.38 0.05 0.00 0.07 0.00 0.00 57.00 58.50 1om2 n GLN 87 Cb 0.00 -2.05 0.13 0.00 2.41 0.00 0.00 30.24 30.73 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 -5.38 1.43 -4.44 1.69 3.41 -1.25 -4.99 113.62 104.10 1om2 n SER 88 Ca 0.12 -3.11 -0.38 0.00 -0.26 0.00 0.00 58.87 55.24 1om2 n SER 88 Cb 0.40 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 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 -0.44 -0.93 0.00 1.04 -0.00 -0.31 -1.22 117.00 115.13 1om2 n LEU 89 Ca 0.14 -1.25 0.00 0.00 -0.00 0.00 0.00 56.01 54.90 1om2 n LEU 89 Cb 0.88 -1.62 0.00 0.00 -0.00 0.00 0.00 43.42 42.68 1om2 n LEU 89 CO -0.04 0.25 0.00 0.61 -0.00 0.00 0.00 177.39 178.21 1om2 n GLY 90 N -1.65 2.48 3.41 1.47 0.00 -0.36 -4.79 105.19 105.75 1om2 n GLY 90 Ca -0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.79 0.14 1.61 2.12 -0.36 -4.80 118.70 118.21 1om2 s GLU 91 Ca 0.00 0.31 -0.06 0.00 0.36 0.00 0.00 54.97 55.57 1om2 s GLU 91 Cb 0.00 0.37 -0.02 0.00 0.26 0.00 0.00 34.13 34.75 1om2 s GLU 91 CO 0.00 -0.20 0.19 0.34 -0.54 0.00 0.00 175.26 175.06 1om2 s ASP 92 N -0.70 0.15 0.80 -1.70 2.15 -1.24 -4.98 116.67 111.15 1om2 s ASP 92 Ca -0.08 -0.93 -0.06 0.00 0.43 0.00 0.00 52.55 51.91 1om2 s ASP 92 Cb -0.03 0.37 0.14 0.00 -0.30 0.00 0.00 42.92 43.10 1om2 s ASP 92 CO 0.05 -0.81 1.10 1.51 -0.17 0.00 0.00 175.17 176.85 1om2 s ASP 93 N -2.97 4.00 0.00 -0.34 1.47 -1.26 -5.13 116.67 112.45 1om2 s ASP 93 Ca 0.16 -0.06 -0.05 0.00 1.18 0.00 0.00 52.55 53.79 1om2 s ASP 93 Cb 0.05 -0.25 -0.00 0.00 -0.34 0.00 0.00 42.92 42.38 1om2 s ASP 93 CO -0.02 -2.11 0.08 -0.69 0.68 0.00 0.00 175.17 173.11 1om2 s VAL 94 N -3.40 0.08 0.00 2.11 1.01 -1.26 -5.24 120.40 113.70 1om2 s VAL 94 Ca 0.68 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1om2 s VAL 94 Cb -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1om2 s VAL 94 CO 0.47 -0.36 0.05 1.21 0.00 0.00 0.00 175.10 176.47