#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 -1.22 0.10 7.54 0.00 -1.26 -5.20 121.76 121.73 1om2 s ALA 2 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 1om2 s ALA 2 Cb 0.00 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.89 1om2 s ALA 2 CO 0.00 -1.03 0.49 0.20 0.00 0.00 0.00 175.76 175.42 1om2 s GLY 3 N -3.20 -0.41 0.74 0.00 0.00 -1.26 -5.19 107.32 97.99 1om2 s GLY 3 Ca 0.18 0.33 -0.02 0.00 0.00 0.00 0.00 44.72 45.20 1om2 s GLY 3 CO 0.08 0.04 1.01 1.04 0.00 0.00 0.00 173.10 175.26 1om2 n LEU 4 N -0.01 0.00 -3.23 0.66 4.77 -1.26 -5.12 117.00 112.82 1om2 n LEU 4 Ca -0.17 -1.96 -0.02 0.00 -0.03 0.00 0.00 56.01 53.82 1om2 n LEU 4 Cb 0.63 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1om2 n LEU 4 CO 0.17 -1.03 0.04 -0.94 -1.33 0.00 0.00 177.39 174.30 1om2 s SER 5 N -5.04 -0.69 0.20 -1.43 1.04 -1.26 -5.12 113.70 101.40 1om2 s SER 5 Ca 0.65 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1om2 s SER 5 Cb -0.03 1.64 0.00 0.00 0.10 0.00 0.00 66.02 67.73 1om2 s SER 5 CO 0.44 -0.31 0.00 0.29 0.98 0.00 0.00 173.24 174.64 1om2 n LYS 6 N 5.39 -1.31 -3.81 4.02 4.01 -1.26 -4.95 118.16 120.26 1om2 n LYS 6 Ca 0.01 0.98 -0.30 0.00 -0.51 0.00 0.00 58.31 58.49 1om2 n LYS 6 Cb 0.51 -1.56 0.01 0.00 -0.51 0.00 0.00 35.03 33.48 1om2 n LYS 6 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1om2 n LEU 7 N -3.24 -0.72 0.01 -0.35 0.00 -1.26 -4.91 117.00 106.54 1om2 n LEU 7 Ca -0.02 -0.94 -0.11 0.00 0.00 0.00 0.00 56.01 54.94 1om2 n LEU 7 Cb 0.28 -1.29 -0.09 0.00 0.00 0.00 0.00 43.42 42.33 1om2 n LEU 7 CO 0.01 0.52 0.42 1.55 0.00 0.00 0.00 177.39 179.89 1om2 h PRO 8 N -0.87 -0.12 -3.36 1.96 0.13 -1.92 -3.49 132.00 124.33 1om2 h PRO 8 Ca -0.56 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.49 1om2 h PRO 8 Cb 1.14 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1om2 h PRO 8 CO 0.36 0.40 0.12 0.34 -0.23 0.00 0.00 178.00 179.00 1om2 s ASP 9 N -5.66 0.25 -0.02 1.44 -1.08 -1.26 -5.06 116.67 105.28 1om2 s ASP 9 Ca -0.14 -1.20 0.17 0.00 -0.52 0.00 0.00 52.55 50.86 1om2 s ASP 9 Cb -0.00 0.78 -0.26 0.00 -1.46 0.00 0.00 42.92 41.98 1om2 s ASP 9 CO 0.53 -1.53 0.38 0.18 0.52 0.00 0.00 175.17 175.25 1om2 n LEU 10 N -0.53 0.03 -0.35 -1.34 7.99 -1.26 -4.35 117.00 117.19 1om2 n LEU 10 Ca -0.05 -0.02 0.01 0.00 -0.01 0.00 0.00 56.01 55.94 1om2 n LEU 10 Cb 0.60 0.00 0.16 0.00 -0.11 0.00 0.00 43.42 44.07 1om2 n LEU 10 CO 0.26 0.01 1.28 0.11 -1.51 0.00 0.00 177.39 177.54 1om2 h LYS 11 N 0.00 1.19 -6.25 3.23 1.57 -2.04 -3.39 116.57 110.89 1om2 h LYS 11 Ca 0.00 -0.07 -0.55 0.00 -1.87 0.00 0.00 60.65 58.16 1om2 h LYS 11 Cb 0.76 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1om2 h LYS 11 CO 0.00 0.79 0.10 -0.51 -0.57 0.00 0.00 179.45 179.26 1om2 s ASP 12 N -6.05 7.15 -0.21 0.86 1.11 -1.26 -4.99 116.67 113.28 1om2 s ASP 12 Ca -0.12 1.37 -0.21 0.00 0.18 0.00 0.00 52.55 53.76 1om2 s ASP 12 Cb 0.19 -2.43 -0.18 0.00 1.07 0.00 0.00 42.92 41.56 1om2 s ASP 12 CO 0.81 0.07 0.18 0.00 1.18 0.00 0.00 175.17 177.41 1om2 n ALA 13 N 2.62 0.80 -0.14 5.23 0.00 -1.26 -3.91 120.51 123.84 1om2 n ALA 13 Ca -0.04 -0.51 0.10 0.00 0.00 0.00 0.00 53.44 52.98 1om2 n ALA 13 Cb 0.50 -0.52 0.43 0.00 0.00 0.00 0.00 19.45 19.86 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 0.56 0.00 0.00 5.08 -1.97 0.33 114.58 117.58 1om2 h GLU 14 Ca -0.36 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1om2 h GLU 14 Cb 1.30 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1om2 h GLU 14 CO -0.22 0.37 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 1om2 h ALA 15 N 1.65 1.00 0.02 3.43 0.00 -1.92 -3.02 119.26 120.41 1om2 h ALA 15 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.89 1om2 h ALA 15 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1om2 h ALA 15 CO -0.10 0.00 -2.04 0.28 0.00 0.00 0.00 179.25 177.39 1om2 n VAL 16 N -2.87 1.55 -0.11 0.00 0.31 0.18 -3.65 118.33 113.72 1om2 n VAL 16 Ca 0.03 -0.78 -0.09 0.00 -0.01 0.00 0.00 64.34 63.49 1om2 n VAL 16 Cb 0.40 -0.96 -0.01 0.00 -0.91 0.00 0.00 33.84 32.36 1om2 n VAL 16 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1om2 h GLN 17 N 0.01 0.51 -0.06 5.55 5.75 -0.39 0.31 115.11 126.79 1om2 h GLN 17 Ca -0.42 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1om2 h GLN 17 Cb 2.09 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 30.54 1om2 h GLN 17 CO 0.05 0.45 0.02 0.87 -2.65 0.00 0.00 178.83 177.57 1om2 h LYS 18 N 0.44 0.09 -0.66 1.69 1.57 -1.71 -0.69 116.57 117.31 1om2 h LYS 18 Ca 0.12 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1om2 h LYS 18 Cb 0.10 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1om2 h LYS 18 CO -0.02 0.23 0.17 0.35 -0.57 0.00 0.00 179.45 179.61 1om2 h PHE 19 N -0.07 1.08 -0.05 -1.35 3.57 -1.60 0.20 116.94 118.72 1om2 h PHE 19 Ca 0.02 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1om2 h PHE 19 Cb 0.17 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 1om2 h PHE 19 CO -0.02 0.88 0.03 0.35 -2.23 0.00 0.00 178.31 177.32 1om2 h PHE 20 N 0.99 0.06 -0.39 0.41 3.57 -0.24 -0.43 116.94 120.91 1om2 h PHE 20 Ca 0.21 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1om2 h PHE 20 Cb 0.34 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1om2 h PHE 20 CO 0.02 0.03 0.08 -0.07 -2.23 0.00 0.00 178.31 176.14 1om2 h LEU 21 N 0.06 0.54 -1.21 0.59 3.38 -0.87 0.55 115.31 118.36 1om2 h LEU 21 Ca 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1om2 h LEU 21 Cb -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1om2 h LEU 21 CO -0.01 0.56 0.06 -0.08 0.09 0.00 0.00 178.44 179.06 1om2 h GLU 22 N 0.57 0.60 0.22 1.13 4.81 0.32 0.01 114.58 122.24 1om2 h GLU 22 Ca 0.13 -0.12 -0.32 0.00 -0.13 0.00 0.00 59.36 58.92 1om2 h GLU 22 Cb 0.25 -0.09 0.03 0.00 0.63 0.00 0.00 28.75 29.56 1om2 h GLU 22 CO -0.00 0.58 -1.49 1.49 -0.73 0.00 0.00 179.01 178.86 1om2 h GLU 23 N 0.58 0.47 -0.24 1.92 4.81 -0.37 -0.62 114.58 121.12 1om2 h GLU 23 Ca 0.13 -0.80 0.06 0.00 -0.13 0.00 0.00 59.36 58.62 1om2 h GLU 23 Cb 0.28 0.30 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 1om2 h GLU 23 CO 0.00 1.38 -0.16 0.82 -0.73 0.00 0.00 179.01 180.32 1om2 h ILE 24 N 0.06 0.54 -0.07 2.32 2.04 -0.75 0.68 117.51 122.33 1om2 h ILE 24 Ca -0.27 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 1om2 h ILE 24 Cb 2.08 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1om2 h ILE 24 CO 0.23 0.00 -0.52 0.06 0.00 0.00 0.00 178.15 177.92 1om2 h GLN 25 N -0.15 0.48 0.29 2.37 3.07 -1.07 -2.12 115.11 117.98 1om2 h GLN 25 Ca 0.14 -0.42 -0.01 0.00 0.09 0.00 0.00 58.65 58.45 1om2 h GLN 25 Cb 0.35 0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.00 1om2 h GLN 25 CO -0.33 1.06 -0.20 1.25 0.09 0.00 0.00 178.83 180.69 1om2 h LEU 26 N 0.04 -0.50 0.16 0.06 7.12 -0.99 -0.15 115.31 121.05 1om2 h LEU 26 Ca -0.04 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1om2 h LEU 26 Cb 1.18 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 41.46 1om2 h LEU 26 CO 0.11 -0.31 -0.11 1.23 -0.13 0.00 0.00 178.44 179.22 1om2 h GLY 27 N -0.48 -0.60 -0.65 3.75 0.00 -0.95 0.61 103.07 104.74 1om2 h GLY 27 Ca -0.03 0.26 0.36 0.00 0.00 0.00 0.00 47.33 47.92 1om2 h GLY 27 CO 0.01 -0.21 0.76 -2.09 0.00 0.00 0.00 176.54 175.01 1om2 h GLU 28 N -0.26 0.22 -0.35 4.80 4.57 -1.40 0.27 114.58 122.42 1om2 h GLU 28 Ca -0.02 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1om2 h GLU 28 Cb 0.21 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1om2 h GLU 28 CO 0.01 0.14 -0.03 1.49 -1.18 0.00 0.00 179.01 179.45 1om2 h GLU 29 N 0.22 0.64 -0.36 1.92 4.81 -0.56 0.17 114.58 121.42 1om2 h GLU 29 Ca 0.72 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.66 1om2 h GLU 29 Cb 2.07 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.38 1om2 h GLU 29 CO -0.37 0.77 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.55 1om2 h LEU 30 N 0.44 0.58 -1.18 1.64 3.38 0.18 -1.14 115.31 119.21 1om2 h LEU 30 Ca 0.10 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1om2 h LEU 30 Cb 0.50 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1om2 h LEU 30 CO 0.02 0.69 -0.23 -0.07 0.09 0.00 0.00 178.44 178.95 1om2 h LEU 31 N 0.56 0.28 -2.38 1.67 4.07 -0.71 0.15 115.31 118.96 1om2 h LEU 31 Ca 0.11 -0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.02 1om2 h LEU 31 Cb 0.45 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 1om2 h LEU 31 CO 0.02 0.52 0.17 0.00 -1.08 0.00 0.00 178.44 178.07 1om2 h ALA 32 N 1.51 1.52 0.07 1.53 0.00 0.63 0.55 119.26 125.07 1om2 h ALA 32 Ca 0.04 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 1om2 h ALA 32 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1om2 h ALA 32 CO 0.04 -0.22 -1.95 0.94 0.00 0.00 0.00 179.25 178.07 1om2 n GLN 33 N -3.48 0.71 0.00 0.00 0.00 0.30 -5.00 117.38 109.90 1om2 n GLN 33 Ca -0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.00 57.25 1om2 n GLN 33 Cb 0.26 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 28.78 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 1.86 0.61 1.89 1.69 0.00 0.19 -5.06 105.19 106.36 1om2 n GLY 34 Ca -0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 5.29 -0.26 1.61 -0.08 -0.56 -4.63 116.55 117.92 1om2 n ASP 35 Ca 0.00 -2.47 0.16 0.00 -1.51 0.00 0.00 54.79 50.97 1om2 n ASP 35 Cb 0.00 -1.35 0.46 0.00 2.34 0.00 0.00 41.12 42.57 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 2.53 0.66 -0.98 -0.67 -1.99 -1.87 0.72 116.97 115.37 1om2 h TYR 36 Ca 0.15 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.95 1om2 h TYR 36 Cb 1.39 -0.20 -0.06 0.00 2.00 0.00 0.00 36.73 39.85 1om2 h TYR 36 CO 1.42 0.20 0.64 0.93 -0.00 0.00 0.00 178.16 181.34 1om2 h GLU 37 N 0.52 1.15 0.03 4.88 4.39 -2.00 -0.52 114.58 123.02 1om2 h GLU 37 Ca 0.47 -0.07 -0.24 0.00 0.34 0.00 0.00 59.36 59.86 1om2 h GLU 37 Cb 1.01 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1om2 h GLU 37 CO -0.20 0.76 -1.17 0.87 -1.16 0.00 0.00 179.01 178.10 1om2 h LYS 38 N 1.18 0.06 -0.79 2.33 1.79 -1.57 -3.33 116.57 116.24 1om2 h LYS 38 Ca 0.41 -0.10 0.11 0.00 -2.18 0.00 0.00 60.65 58.89 1om2 h LYS 38 Cb 0.10 0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.71 1om2 h LYS 38 CO -0.14 0.97 0.42 0.78 -1.08 0.00 0.00 179.45 180.39 1om2 h GLY 39 N 2.77 1.23 0.63 3.86 0.00 0.61 0.15 103.07 112.32 1om2 h GLY 39 Ca -0.08 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.06 1om2 h GLY 39 CO 0.14 0.05 0.39 -2.08 0.00 0.00 0.00 176.54 175.03 1om2 h VAL 40 N 0.67 0.94 -0.24 4.60 2.07 -1.36 0.20 116.25 123.12 1om2 h VAL 40 Ca 0.40 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 1om2 h VAL 40 Cb 0.46 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1om2 h VAL 40 CO -0.29 0.13 -0.17 -0.78 0.02 0.00 0.00 177.57 176.47 1om2 h ASP 41 N 0.70 0.57 -0.65 0.57 3.58 -1.42 -1.37 116.42 118.39 1om2 h ASP 41 Ca 0.32 -0.44 0.08 0.00 0.42 0.00 0.00 57.03 57.42 1om2 h ASP 41 Cb 0.24 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 41.06 1om2 h ASP 41 CO -0.21 0.89 0.31 1.12 -2.88 0.00 0.00 179.24 178.47 1om2 h HIS 42 N 0.26 0.55 -0.10 0.28 2.07 -0.12 -0.05 115.15 118.04 1om2 h HIS 42 Ca 0.05 0.03 -0.19 0.00 -2.85 0.00 0.00 60.37 57.40 1om2 h HIS 42 Cb 0.70 -0.15 0.01 0.00 2.57 0.00 0.00 27.41 30.54 1om2 h HIS 42 CO 0.07 0.20 -0.68 1.25 -3.07 0.00 0.00 177.93 175.70 1om2 h LEU 43 N 0.54 0.78 -1.19 6.12 5.85 -0.93 -1.97 115.31 124.50 1om2 h LEU 43 Ca 0.32 -0.66 0.17 0.00 0.84 0.00 0.00 57.88 58.55 1om2 h LEU 43 Cb 0.32 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 1om2 h LEU 43 CO -0.26 1.32 0.61 0.74 -0.34 0.00 0.00 178.44 180.51 1om2 h THR 44 N 0.30 0.76 -0.31 1.05 2.02 -0.36 0.68 112.91 117.05 1om2 h THR 44 Ca -0.06 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 66.74 1om2 h THR 44 Cb 1.33 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1om2 h THR 44 CO 0.14 0.13 -0.36 0.78 0.37 0.00 0.00 175.52 176.58 1om2 h ASN 45 N 0.70 0.85 -1.00 4.18 2.35 -0.89 -1.51 115.58 120.26 1om2 h ASN 45 Ca 0.51 -0.49 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1om2 h ASN 45 Cb 0.87 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.95 1om2 h ASN 45 CO -0.28 1.16 0.66 0.00 -1.65 0.00 0.00 177.43 177.32 1om2 h ALA 46 N 0.71 1.33 -0.67 -0.83 0.00 -0.14 -0.66 119.26 119.00 1om2 h ALA 46 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1om2 h ALA 46 Cb 0.95 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1om2 h ALA 46 CO 0.09 0.58 0.29 0.82 0.00 0.00 0.00 179.25 181.03 1om2 h ILE 47 N 1.29 1.24 -0.57 0.00 5.03 -0.97 -0.14 117.51 123.38 1om2 h ILE 47 Ca 0.39 -0.71 0.06 0.00 -0.12 0.00 0.00 64.86 64.49 1om2 h ILE 47 Cb -0.03 0.45 -0.03 0.00 -3.03 0.00 0.00 36.82 34.17 1om2 h ILE 47 CO -0.11 0.29 0.38 0.00 -0.68 0.00 0.00 178.15 178.02 1om2 h ALA 48 N 1.13 1.86 0.00 1.87 0.00 -0.07 0.64 119.26 124.69 1om2 h ALA 48 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1om2 h ALA 48 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1om2 h ALA 48 CO -0.02 0.04 -1.58 1.33 0.00 0.00 0.00 179.25 179.02 1om2 n VAL 49 N -4.47 0.02 -0.08 0.00 0.24 -0.77 -4.51 118.33 108.76 1om2 n VAL 49 Ca 0.08 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.95 1om2 n VAL 49 Cb 0.25 0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 32.89 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 1.59 0.61 2.44 0.00 0.00 0.16 -4.93 105.19 105.05 1om2 n GLY 51 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.78 1.73 -0.01 1.61 -0.06 -1.26 -4.99 117.38 111.62 1om2 n GLN 52 Ca 0.00 -3.88 -0.12 0.00 -2.00 0.00 0.00 57.00 51.00 1om2 n GLN 52 Cb 0.00 -1.87 -0.06 0.00 -4.06 0.00 0.00 30.24 24.24 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 3.05 -0.47 -0.76 3.69 0.13 -1.92 -1.83 132.00 133.89 1om2 h PRO 53 Ca 0.11 0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.35 1om2 h PRO 53 Cb 0.81 0.11 -0.07 0.00 0.13 0.00 0.00 31.00 31.98 1om2 h PRO 53 CO 0.61 -0.31 0.43 1.96 -0.23 0.00 0.00 178.00 180.45 1om2 h GLN 54 N -0.49 0.73 -0.14 0.86 4.20 -1.98 0.29 115.11 118.57 1om2 h GLN 54 Ca 0.08 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1om2 h GLN 54 Cb 0.63 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1om2 h GLN 54 CO -0.41 0.48 0.08 0.37 -0.67 0.00 0.00 178.83 178.68 1om2 h GLN 55 N 0.75 0.16 -0.64 1.46 5.75 -1.90 -1.18 115.11 119.50 1om2 h GLN 55 Ca 0.35 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.78 1om2 h GLN 55 Cb 0.28 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1om2 h GLN 55 CO -0.22 0.11 0.15 1.25 -2.65 0.00 0.00 178.83 177.46 1om2 h LEU 56 N 0.16 0.96 -0.90 -2.39 5.85 -0.46 -1.62 115.31 116.92 1om2 h LEU 56 Ca 0.05 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1om2 h LEU 56 Cb -0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1om2 h LEU 56 CO -0.03 0.94 0.20 -0.07 -0.34 0.00 0.00 178.44 179.13 1om2 h LEU 57 N 0.97 0.94 -0.53 2.25 3.38 0.05 0.16 115.31 122.53 1om2 h LEU 57 Ca 0.20 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1om2 h LEU 57 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1om2 h LEU 57 CO 0.00 0.88 -0.29 0.06 0.09 0.00 0.00 178.44 179.18 1om2 h GLN 58 N 0.97 0.88 -0.55 1.13 3.07 -1.02 -0.21 115.11 119.38 1om2 h GLN 58 Ca 0.21 -0.41 -0.01 0.00 0.09 0.00 0.00 58.65 58.54 1om2 h GLN 58 Cb 0.29 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.81 1om2 h GLN 58 CO -0.01 1.05 0.30 -0.24 0.09 0.00 0.00 178.83 180.03 1om2 h VAL 59 N 0.75 1.17 0.03 1.86 3.04 -0.65 -0.49 116.25 121.96 1om2 h VAL 59 Ca 0.08 -0.42 -0.22 0.00 -1.01 0.00 0.00 66.70 65.14 1om2 h VAL 59 Cb 0.85 0.42 -0.02 0.00 -2.01 0.00 0.00 31.29 30.54 1om2 h VAL 59 CO 0.08 0.19 -1.01 -0.07 -1.01 0.00 0.00 177.57 175.74 1om2 h LEU 60 N 0.77 0.15 -0.19 3.16 -0.00 -0.47 -2.60 115.31 116.14 1om2 h LEU 60 Ca 0.20 -0.15 -0.22 0.00 -0.00 0.00 0.00 57.88 57.70 1om2 h LEU 60 Cb 0.02 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 40.63 1om2 h LEU 60 CO -0.03 1.07 -0.89 -0.61 -0.00 0.00 0.00 178.44 177.98 1om2 h GLN 61 N 0.04 0.54 0.00 1.13 -0.00 -0.42 -2.82 115.11 113.57 1om2 h GLN 61 Ca -0.05 -0.52 -0.18 0.00 -0.00 0.00 0.00 58.65 57.91 1om2 h GLN 61 Cb 1.73 0.13 -0.03 0.00 0.00 0.00 0.00 27.48 29.31 1om2 h GLN 61 CO 0.15 1.15 -0.85 -0.56 0.00 0.00 0.00 178.83 178.71 1om2 h GLN 62 N 0.33 0.00 0.03 1.69 -0.00 -1.19 -3.28 115.11 112.69 1om2 h GLN 62 Ca -0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.36 1om2 h GLN 62 Cb 1.51 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.97 1om2 h GLN 62 CO 0.16 0.85 -1.03 0.00 -0.00 0.00 0.00 178.83 178.81 1om2 h THR 63 N 0.00 1.65 -1.85 1.86 1.03 -1.51 -3.47 112.91 110.61 1om2 h THR 63 Ca -0.01 -3.25 0.05 0.00 -0.01 0.00 0.00 66.41 63.18 1om2 h THR 63 Cb 1.56 2.82 -0.20 0.00 -1.07 0.00 0.00 68.15 71.26 1om2 h THR 63 CO 0.11 0.93 0.44 -1.48 -0.01 0.00 0.00 175.52 175.51 1om2 s LEU 64 N -6.88 -0.45 -0.21 0.00 2.34 -1.07 -5.10 118.68 107.31 1om2 s LEU 64 Ca -0.00 0.39 -0.29 0.00 0.06 0.00 0.00 54.13 54.29 1om2 s LEU 64 Cb 0.09 2.09 -0.03 0.00 -0.56 0.00 0.00 46.19 47.78 1om2 s LEU 64 CO 0.83 -0.48 1.68 -2.16 -1.06 0.00 0.00 176.35 175.16 1om2 s PRO 65 N -1.59 3.75 -0.55 1.48 0.04 -1.26 -4.16 135.00 132.71 1om2 s PRO 65 Ca -0.03 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1om2 s PRO 65 Cb -0.00 -4.07 0.08 0.00 0.04 0.00 0.00 34.50 30.55 1om2 s PRO 65 CO 0.01 -1.36 0.65 -1.25 0.04 0.00 0.00 177.00 175.09 1om2 s PRO 66 N 4.82 3.07 0.22 0.56 0.04 -1.26 -4.91 135.00 137.53 1om2 s PRO 66 Ca 0.74 -1.15 0.02 0.00 0.04 0.00 0.00 61.00 60.65 1om2 s PRO 66 Cb -0.26 -4.19 0.20 0.00 0.04 0.00 0.00 34.50 30.29 1om2 s PRO 66 CO 0.30 -1.37 1.54 -1.00 0.04 0.00 0.00 177.00 176.51 1om2 h PRO 67 N 9.07 0.35 -0.09 0.56 0.13 -2.00 -3.16 132.00 136.86 1om2 h PRO 67 Ca -0.29 -0.23 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1om2 h PRO 67 Cb 1.09 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1om2 h PRO 67 CO 1.03 0.83 -0.07 0.28 -0.23 0.00 0.00 178.00 179.85 1om2 h VAL 68 N 0.26 0.80 -0.78 1.56 2.07 -1.97 -2.17 116.25 116.02 1om2 h VAL 68 Ca -0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.70 1om2 h VAL 68 Cb 1.10 0.80 -0.13 0.00 -1.52 0.00 0.00 31.29 31.54 1om2 h VAL 68 CO 0.10 0.00 0.11 0.15 0.02 0.00 0.00 177.57 177.95 1om2 h PHE 69 N -0.08 0.14 -0.85 1.57 3.57 -1.96 0.26 116.94 119.59 1om2 h PHE 69 Ca 0.06 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1om2 h PHE 69 Cb 0.16 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 1om2 h PHE 69 CO -0.18 -0.19 0.56 0.37 -2.23 0.00 0.00 178.31 176.63 1om2 h GLN 70 N 0.17 0.98 -0.06 1.11 4.15 -1.42 -0.26 115.11 119.78 1om2 h GLN 70 Ca 0.45 -0.06 -0.19 0.00 0.77 0.00 0.00 58.65 59.63 1om2 h GLN 70 Cb 0.83 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 1om2 h GLN 70 CO -0.62 0.65 -0.75 0.52 -1.93 0.00 0.00 178.83 176.69 1om2 h MET 71 N 1.01 0.38 -0.92 1.69 2.86 -0.41 -2.53 114.93 117.01 1om2 h MET 71 Ca 0.35 -0.32 0.12 0.00 -2.06 0.00 0.00 59.70 57.78 1om2 h MET 71 Cb 0.10 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.75 1om2 h MET 71 CO -0.11 0.97 0.55 1.25 1.06 0.00 0.00 176.91 180.62 1om2 h LEU 72 N 0.25 0.78 -0.91 1.22 6.46 0.97 0.46 115.31 124.54 1om2 h LEU 72 Ca -0.03 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.69 1om2 h LEU 72 Cb 1.33 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1om2 h LEU 72 CO 0.13 0.41 -0.43 -0.07 -0.62 0.00 0.00 178.44 177.86 1om2 h LEU 73 N 0.87 0.00 0.00 2.25 3.38 -0.92 -3.10 115.31 117.78 1om2 h LEU 73 Ca 0.46 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.34 1om2 h LEU 73 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1om2 h LEU 73 CO -0.27 0.43 -1.06 0.00 0.09 0.00 0.00 178.44 177.62 1om2 h THR 74 N 0.00 0.34 0.00 0.22 1.03 -0.57 -3.33 112.91 110.60 1om2 h THR 74 Ca -0.00 -1.61 -0.02 0.00 -0.01 0.00 0.00 66.41 64.77 1om2 h THR 74 Cb 0.93 1.89 -0.00 0.00 -1.07 0.00 0.00 68.15 69.90 1om2 h THR 74 CO 0.06 0.19 -0.09 0.11 -0.01 0.00 0.00 175.52 175.77 1om2 h LYS 75 N 0.00 0.00 0.42 0.00 1.79 -0.11 -3.34 116.57 115.33 1om2 h LYS 75 Ca -0.08 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1om2 h LYS 75 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1om2 h LYS 75 CO 0.03 0.09 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.22 1om2 h LEU 76 N 0.00 -0.47 -8.71 2.94 3.38 -1.65 -3.40 115.31 107.39 1om2 h LEU 76 Ca -0.00 0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 1om2 h LEU 76 Cb 0.85 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1om2 h LEU 76 CO 0.01 -0.27 1.41 -2.16 0.09 0.00 0.00 178.44 177.52 1om2 s PRO 77 N -3.81 2.81 -0.25 1.13 0.04 -1.25 -4.79 135.00 128.88 1om2 s PRO 77 Ca -0.08 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.22 1om2 s PRO 77 Cb 0.01 -4.37 -0.17 0.00 0.04 0.00 0.00 34.50 30.01 1om2 s PRO 77 CO 0.25 -2.48 -0.19 2.41 0.04 0.00 0.00 177.00 177.02 1om2 n THR 78 N 7.54 1.52 -0.02 1.26 -1.04 -1.26 -4.33 114.28 117.94 1om2 n THR 78 Ca 0.26 -0.56 -0.16 0.00 -2.04 0.00 0.00 64.05 61.56 1om2 n THR 78 Cb 0.50 -1.49 -0.09 0.00 -1.82 0.00 0.00 70.33 67.42 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 -0.10 1.41 -0.66 12.58 5.03 -1.98 -3.27 117.51 130.52 1om2 h ILE 79 Ca -0.58 -1.84 0.14 0.00 -0.12 0.00 0.00 64.86 62.46 1om2 h ILE 79 Cb 1.88 2.34 -0.11 0.00 -3.03 0.00 0.00 36.82 37.90 1om2 h ILE 79 CO -0.11 0.54 0.01 0.28 -0.68 0.00 0.00 178.15 178.18 1om2 h SER 80 N -0.05 -0.29 -0.82 1.72 0.02 -1.97 0.52 113.55 112.68 1om2 h SER 80 Ca -0.04 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1om2 h SER 80 Cb 1.10 0.29 -0.06 0.00 0.14 0.00 0.00 62.40 63.87 1om2 h SER 80 CO 0.09 -0.13 0.49 1.56 -1.14 0.00 0.00 176.83 177.70 1om2 h GLN 81 N 0.12 0.85 -0.46 3.45 1.08 -1.75 -2.37 115.11 116.03 1om2 h GLN 81 Ca 0.35 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.41 1om2 h GLN 81 Cb 0.58 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1om2 h GLN 81 CO -0.57 0.56 -0.08 0.00 -0.95 0.00 0.00 178.83 177.79 1om2 h ARG 82 N 0.88 0.81 0.06 1.46 3.08 -0.98 -0.78 114.38 118.91 1om2 h ARG 82 Ca 0.37 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1om2 h ARG 82 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1om2 h ARG 82 CO -0.20 0.87 -0.03 0.82 -1.07 0.00 0.00 179.97 180.37 1om2 h ILE 83 N 0.74 1.01 -0.17 2.04 1.08 -0.83 -2.65 117.51 118.73 1om2 h ILE 83 Ca 0.13 -0.24 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1om2 h ILE 83 Cb 0.57 1.17 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 1om2 h ILE 83 CO 0.03 0.06 -0.13 0.58 -0.69 0.00 0.00 178.15 178.00 1om2 h VAL 84 N -0.19 0.63 0.00 1.67 2.07 -1.36 -1.07 116.25 118.00 1om2 h VAL 84 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1om2 h VAL 84 Cb 0.16 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1om2 h VAL 84 CO 0.01 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.40 1om2 n SER 85 N -5.28 3.90 -0.73 0.57 7.64 -0.31 -2.82 113.62 116.59 1om2 n SER 85 Ca -0.02 -2.08 -0.04 0.00 1.01 0.00 0.00 58.87 57.74 1om2 n SER 85 Cb 0.20 -0.77 -0.04 0.00 -1.01 0.00 0.00 64.21 62.60 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 1.08 1.94 -1.40 -0.43 0.00 -0.45 -4.93 120.51 116.32 1om2 n ALA 86 Ca 0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 1om2 n ALA 86 Cb 0.46 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 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 2.03 0.00 0.00 7.27 -0.92 -1.26 117.38 124.50 1om2 n GLN 87 Ca -0.15 -2.16 0.00 0.00 0.07 0.00 0.00 57.00 54.76 1om2 n GLN 87 Cb 0.51 -3.08 0.00 0.00 2.41 0.00 0.00 30.24 30.08 1om2 n GLN 87 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1om2 n SER 88 N 7.10 0.00 -2.70 1.69 7.64 -1.26 -5.00 113.62 121.09 1om2 n SER 88 Ca 0.50 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.24 1om2 n SER 88 Cb 0.40 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.61 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 2.23 -2.68 -3.43 4.77 -0.39 -4.87 117.00 112.62 1om2 n LEU 89 Ca 0.00 -4.29 -0.08 0.00 -0.03 0.00 0.00 56.01 51.61 1om2 n LEU 89 Cb 0.00 0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1om2 n LEU 89 CO 0.00 1.83 0.19 0.61 -1.33 0.00 0.00 177.39 178.70 1om2 n GLY 90 N -0.12 1.44 3.93 -0.72 0.00 -0.79 -4.87 105.19 104.06 1om2 n GLY 90 Ca 0.19 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1om2 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1om2 s GLU 91 N -1.51 2.56 -0.14 1.61 8.01 -1.26 -5.01 118.70 122.95 1om2 s GLU 91 Ca 0.24 -0.22 -0.06 0.00 0.01 0.00 0.00 54.97 54.94 1om2 s GLU 91 Cb 0.43 -2.26 -0.04 0.00 -4.31 0.00 0.00 34.13 27.95 1om2 s GLU 91 CO -0.03 -0.93 0.06 0.34 0.01 0.00 0.00 175.26 174.72 1om2 s ASP 92 N -4.41 5.68 -1.39 -0.19 2.15 -1.26 -5.02 116.67 112.23 1om2 s ASP 92 Ca 0.57 0.18 -0.11 0.00 0.43 0.00 0.00 52.55 53.62 1om2 s ASP 92 Cb -0.11 -1.85 0.09 0.00 -0.30 0.00 0.00 42.92 40.75 1om2 s ASP 92 CO 0.44 0.28 2.18 0.47 -0.17 0.00 0.00 175.17 178.37 1om2 n ASP 93 N 2.82 5.31 -4.60 -0.34 8.00 -1.26 -4.98 116.55 121.51 1om2 n ASP 93 Ca -0.18 -2.95 -0.46 0.00 0.71 0.00 0.00 54.79 51.91 1om2 n ASP 93 Cb 0.53 -1.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.06 1om2 n ASP 93 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1om2 n VAL 94 N 3.87 1.53 -1.28 2.53 3.14 -1.26 -5.37 118.33 121.50 1om2 n VAL 94 Ca 0.51 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1om2 n VAL 94 Cb 0.35 -1.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 1om2 n VAL 94 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58