#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnn h LEU 9 N 0.00 0.58 -2.75 0.55 5.85 -2.07 -1.14 115.31 116.33 2nnn h LEU 9 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2nnn h LEU 9 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2nnn h LEU 9 CO 0.00 0.24 0.03 0.44 -0.34 0.00 0.00 178.44 178.81 2nnn h ASP 10 N 0.58 0.00 0.02 1.25 5.19 -2.05 -1.38 116.42 120.04 2nnn h ASP 10 Ca 0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 2nnn h ASP 10 Cb 0.97 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2nnn h ASP 10 CO -0.24 0.00 -0.96 0.47 -3.12 0.00 0.00 179.24 175.39 2nnn n ASP 11 N -2.97 1.01 -4.73 6.45 8.00 -0.43 -4.75 116.55 119.12 2nnn n ASP 11 Ca -0.03 -0.98 -0.41 0.00 0.71 0.00 0.00 54.79 54.08 2nnn n ASP 11 Cb 0.09 0.95 -0.04 0.00 -0.02 0.00 0.00 41.12 42.11 2nnn n ASP 11 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2nnn s GLN 12 N -2.99 4.54 0.24 -1.24 -0.21 -0.52 -4.97 119.66 114.51 2nnn s GLN 12 Ca 0.08 1.73 -0.07 0.00 0.02 0.00 0.00 55.36 57.13 2nnn s GLN 12 Cb 0.16 -3.30 0.23 0.00 1.00 0.00 0.00 33.01 31.10 2nnn s GLN 12 CO 0.85 -0.03 1.90 0.97 -2.12 0.00 0.00 175.29 176.86 2nnn h ILE 13 N 3.99 1.25 -0.91 1.08 6.09 -1.93 -2.09 117.51 124.99 2nnn h ILE 13 Ca -0.43 -0.52 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 2nnn h ILE 13 Cb 1.21 -0.11 -0.04 0.00 0.47 0.00 0.00 36.82 38.35 2nnn h ILE 13 CO 0.75 0.26 0.59 1.23 -3.07 0.00 0.00 178.15 177.91 2nnn h GLY 14 N 1.30 1.30 0.63 8.18 0.00 -1.95 0.21 103.07 112.74 2nnn h GLY 14 Ca 0.34 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2nnn h GLY 14 CO -0.07 0.49 -0.04 -2.75 0.00 0.00 0.00 176.54 174.17 2nnn h PHE 15 N 1.25 0.16 -0.88 5.60 3.57 -1.79 -1.86 116.94 122.99 2nnn h PHE 15 Ca 0.33 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2nnn h PHE 15 Cb -0.12 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 2nnn h PHE 15 CO 0.00 0.55 0.47 0.82 -2.23 0.00 0.00 178.31 177.92 2nnn h ILE 16 N -0.28 1.26 -0.81 1.41 2.04 -1.22 -1.24 117.51 118.67 2nnn h ILE 16 Ca 0.01 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 2nnn h ILE 16 Cb 0.52 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 2nnn h ILE 16 CO 0.01 0.30 0.33 -0.07 0.00 0.00 0.00 178.15 178.71 2nnn h LEU 17 N 1.24 1.11 -0.36 1.44 3.38 -0.52 -0.72 115.31 120.87 2nnn h LEU 17 Ca 0.31 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2nnn h LEU 17 Cb 0.05 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2nnn h LEU 17 CO -0.05 0.98 -0.09 -0.09 0.09 0.00 0.00 178.44 179.28 2nnn h ARG 18 N 1.17 0.69 -0.68 1.13 2.43 -0.94 -1.74 114.38 116.44 2nnn h ARG 18 Ca 0.27 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2nnn h ARG 18 Cb 0.21 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2nnn h ARG 18 CO -0.02 0.85 0.44 1.96 -1.51 0.00 0.00 179.97 181.68 2nnn h GLN 19 N 0.48 0.86 -0.58 0.20 4.20 -1.06 0.32 115.11 119.52 2nnn h GLN 19 Ca 0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2nnn h GLN 19 Cb 0.59 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2nnn h GLN 19 CO 0.04 0.57 0.35 0.00 -0.67 0.00 0.00 178.83 179.11 2nnn h ALA 20 N 1.26 0.75 -0.04 3.87 0.00 -1.06 0.46 119.26 124.49 2nnn h ALA 20 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2nnn h ALA 20 Cb -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2nnn h ALA 20 CO -0.07 0.23 0.02 -0.97 0.00 0.00 0.00 179.25 178.46 2nnn h ASN 21 N 0.79 0.05 -0.37 0.00 -0.00 -0.71 -1.27 115.58 114.07 2nnn h ASN 21 Ca 0.21 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.47 2nnn h ASN 21 Cb -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 38.28 2nnn h ASN 21 CO -0.04 0.07 0.24 1.56 -0.00 0.00 0.00 177.43 179.26 2nnn h GLN 22 N 0.02 0.49 -0.57 6.67 4.20 -0.13 0.26 115.11 126.06 2nnn h GLN 22 Ca 0.01 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.78 2nnn h GLN 22 Cb 0.03 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.63 2nnn h GLN 22 CO -0.00 0.34 0.19 -0.09 -0.67 0.00 0.00 178.83 178.59 2nnn h ARG 23 N 0.50 0.35 -0.65 1.46 9.65 -0.82 -1.32 114.38 123.53 2nnn h ARG 23 Ca 0.14 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.94 2nnn h ARG 23 Cb -0.05 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 2nnn h ARG 23 CO -0.03 0.23 0.19 -0.92 2.80 0.00 0.00 179.97 182.24 2nnn h TYR 24 N 0.36 1.06 -0.37 2.20 3.20 -0.63 -2.46 116.97 120.33 2nnn h TYR 24 Ca 0.28 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2nnn h TYR 24 Cb 0.35 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2nnn h TYR 24 CO -0.18 0.87 0.19 0.00 -1.64 0.00 0.00 178.16 177.39 2nnn h ALA 25 N 1.08 1.63 -0.31 1.82 0.00 -0.49 -0.10 119.26 122.89 2nnn h ALA 25 Ca 0.21 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2nnn h ALA 25 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2nnn h ALA 25 CO -0.00 0.30 -0.46 0.00 0.00 0.00 0.00 179.25 179.09 2nnn h ALA 26 N 1.70 0.58 -0.21 0.00 0.00 -0.91 -2.40 119.26 118.02 2nnn h ALA 26 Ca 0.13 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 2nnn h ALA 26 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2nnn h ALA 26 CO -0.02 0.68 -0.59 -0.07 0.00 0.00 0.00 179.25 179.25 2nnn h LEU 27 N 0.66 0.75 0.19 0.00 3.38 -1.15 -2.98 115.31 116.17 2nnn h LEU 27 Ca 0.04 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2nnn h LEU 27 Cb 1.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2nnn h LEU 27 CO 0.10 1.17 -0.09 0.15 0.09 0.00 0.00 178.44 179.86 2nnn h PHE 28 N 0.50 -0.24 0.00 1.13 3.57 -0.96 -1.14 116.94 119.79 2nnn h PHE 28 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2nnn h PHE 28 Cb 1.16 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 2nnn h PHE 28 CO 0.06 0.01 -0.03 0.00 -2.23 0.00 0.00 178.31 176.12 2nnn h ALA 29 N 0.29 1.22 0.00 2.41 0.00 -1.51 0.18 119.26 121.85 2nnn h ALA 29 Ca -0.03 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2nnn h ALA 29 Cb 0.36 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2nnn h ALA 29 CO 0.04 0.03 -1.17 -0.97 0.00 0.00 0.00 179.25 177.19 2nnn h ASN 30 N 0.00 0.00 -0.00 0.00 -1.24 -1.31 -3.41 115.58 109.62 2nnn h ASN 30 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2nnn h ASN 30 Cb 0.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.17 2nnn h ASN 30 CO 0.00 0.68 -0.05 0.61 -1.29 0.00 0.00 177.43 177.39 2nnn n GLY 31 N 1.37 0.72 0.12 1.57 0.00 -0.46 -4.71 105.19 103.80 2nnn n GLY 31 Ca -0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2nnn n GLY 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nnn h ILE 32 N 0.02 1.52 0.00 -0.61 6.09 -1.23 -3.44 117.51 119.87 2nnn h ILE 32 Ca 0.00 -2.74 0.00 0.00 -1.37 0.00 0.00 64.86 60.75 2nnn h ILE 32 Cb 0.03 2.54 0.00 0.00 0.47 0.00 0.00 36.82 39.86 2nnn h ILE 32 CO 0.00 0.79 0.00 0.61 -3.07 0.00 0.00 178.15 176.48 2nnn n GLY 33 N 0.97 0.00 0.89 8.18 0.00 -1.26 -4.68 105.19 109.29 2nnn n GLY 33 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2nnn n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nnn n ASN 34 N -0.12 3.44 0.00 1.61 0.23 -1.26 -4.98 115.26 114.18 2nnn n ASN 34 Ca 0.00 -2.22 0.00 0.00 -0.53 0.00 0.00 54.58 51.83 2nnn n ASN 34 Cb 0.12 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 2nnn n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2nnn n GLY 35 N 0.57 0.85 3.80 4.83 0.00 -1.26 -5.01 105.19 108.96 2nnn n GLY 35 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2nnn n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nnn s LEU 36 N 0.00 4.47 0.72 0.99 1.43 -1.26 -5.08 118.68 119.95 2nnn s LEU 36 Ca 0.00 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 2nnn s LEU 36 Cb 0.00 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.89 2nnn s LEU 36 CO 0.00 0.14 1.07 0.42 0.23 0.00 0.00 176.35 178.21 2nnn s THR 37 N -1.31 3.79 0.53 5.49 -4.23 -1.26 -4.82 115.64 113.83 2nnn s THR 37 Ca 0.38 0.58 0.29 0.00 -1.18 0.00 0.00 61.69 61.76 2nnn s THR 37 Cb -0.20 -3.32 0.45 0.00 1.34 0.00 0.00 72.50 70.77 2nnn s THR 37 CO 0.23 -0.76 1.93 -0.65 -0.54 0.00 0.00 174.62 174.83 2nnn h PRO 38 N -0.81 0.01 0.02 3.99 0.11 -1.96 -0.77 132.00 132.60 2nnn h PRO 38 Ca -0.45 -0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.38 2nnn h PRO 38 Cb 1.22 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 2nnn h PRO 38 CO 0.57 0.01 -1.58 1.79 -0.21 0.00 0.00 178.00 178.58 2nnn h THR 39 N 0.01 1.02 -0.33 -1.15 1.35 -1.98 -2.02 112.91 109.81 2nnn h THR 39 Ca 0.36 -2.82 -0.01 0.00 -0.55 0.00 0.00 66.41 63.39 2nnn h THR 39 Cb 1.42 2.54 -0.02 0.00 -1.73 0.00 0.00 68.15 70.37 2nnn h THR 39 CO -0.01 0.64 0.16 1.56 -0.25 0.00 0.00 175.52 177.62 2nnn h GLN 40 N 0.01 0.48 -0.76 4.72 4.20 -1.72 -1.65 115.11 120.39 2nnn h GLN 40 Ca -0.24 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.43 2nnn h GLN 40 Cb 1.97 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.62 2nnn h GLN 40 CO 0.10 0.44 0.48 2.35 -0.67 0.00 0.00 178.83 181.52 2nnn h TRP 41 N 0.40 0.89 -0.41 2.96 2.91 -1.25 -2.64 115.95 118.81 2nnn h TRP 41 Ca 0.11 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.17 2nnn h TRP 41 Cb 0.12 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.45 2nnn h TRP 41 CO -0.02 0.50 0.26 0.00 -1.03 0.00 0.00 178.44 178.16 2nnn h ALA 42 N 1.33 0.51 -0.39 2.65 0.00 -1.10 0.49 119.26 122.75 2nnn h ALA 42 Ca 0.31 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2nnn h ALA 42 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2nnn h ALA 42 CO -0.12 -0.05 0.19 0.00 0.00 0.00 0.00 179.25 179.27 2nnn h ALA 43 N 1.16 0.48 -0.18 0.00 0.00 -1.24 -0.86 119.26 118.62 2nnn h ALA 43 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2nnn h ALA 43 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2nnn h ALA 43 CO -0.05 -0.18 0.09 1.25 0.00 0.00 0.00 179.25 180.36 2nnn h LEU 44 N 0.38 0.14 -0.44 0.00 5.85 -1.09 -1.74 115.31 118.41 2nnn h LEU 44 Ca 0.17 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2nnn h LEU 44 Cb 0.08 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2nnn h LEU 44 CO -0.12 0.11 0.23 0.58 -0.34 0.00 0.00 178.44 178.89 2nnn h VAL 45 N 0.19 0.98 -0.88 1.05 2.07 -0.76 -2.52 116.25 116.37 2nnn h VAL 45 Ca 0.07 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2nnn h VAL 45 Cb 0.01 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 2nnn h VAL 45 CO -0.05 0.08 0.51 -0.09 0.02 0.00 0.00 177.57 178.05 2nnn h ARG 46 N 0.45 1.22 -0.99 1.57 9.65 -0.98 -2.77 114.38 122.53 2nnn h ARG 46 Ca 0.19 -0.13 0.04 0.00 -1.10 0.00 0.00 59.98 58.98 2nnn h ARG 46 Cb 0.08 -0.25 -0.06 0.00 -1.39 0.00 0.00 29.97 28.36 2nnn h ARG 46 CO -0.13 0.87 0.65 -0.07 2.80 0.00 0.00 179.97 184.09 2nnn h LEU 47 N 1.23 1.08 -1.91 3.80 3.38 -1.08 0.14 115.31 121.95 2nnn h LEU 47 Ca 0.31 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.33 2nnn h LEU 47 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2nnn h LEU 47 CO -0.05 0.74 0.18 1.23 0.09 0.00 0.00 178.44 180.63 2nnn h GLY 48 N 1.25 0.14 1.14 0.83 0.00 -1.19 -0.40 103.07 104.85 2nnn h GLY 48 Ca 0.39 -0.05 -0.33 0.00 0.00 0.00 0.00 47.33 47.34 2nnn h GLY 48 CO -0.12 0.04 -1.51 0.83 0.00 0.00 0.00 176.54 175.78 2nnn h GLU 49 N 0.12 0.50 0.00 4.80 5.08 -0.83 -3.39 114.58 120.85 2nnn h GLU 49 Ca 0.12 -0.85 -0.31 0.00 -1.00 0.00 0.00 59.36 57.31 2nnn h GLU 49 Cb 0.32 0.32 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2nnn h GLU 49 CO -0.01 1.41 -1.92 0.25 -1.00 0.00 0.00 179.01 177.74 2nnn n THR 50 N -3.72 1.52 -4.08 1.13 -2.24 0.29 -5.11 114.28 102.08 2nnn n THR 50 Ca -0.19 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 2nnn n THR 50 Cb 1.08 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2nnn n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnn n GLY 51 N 1.61 -1.90 3.63 3.38 0.00 -0.17 -4.89 105.19 106.85 2nnn n GLY 51 Ca -0.22 -1.37 -0.50 0.00 0.00 0.00 0.00 46.02 43.93 2nnn n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nnn n PRO 52 N -0.14 1.57 -3.84 1.61 -0.02 -1.26 -4.82 135.00 128.10 2nnn n PRO 52 Ca 0.00 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.92 2nnn n PRO 52 Cb 0.00 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.08 2nnn n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nnn n PRO 54 N 3.06 1.78 0.09 0.00 -0.02 -1.26 0.13 135.00 138.79 2nnn n PRO 54 Ca -0.12 0.65 -0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2nnn n PRO 54 Cb 0.59 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 2nnn n PRO 54 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2nnn h GLN 55 N 1.62 -0.27 -0.14 -0.52 4.15 -1.85 -0.90 115.11 117.20 2nnn h GLN 55 Ca -0.50 0.02 -0.14 0.00 0.77 0.00 0.00 58.65 58.80 2nnn h GLN 55 Cb 1.30 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 2nnn h GLN 55 CO 0.58 -0.18 -0.50 -0.91 -1.93 0.00 0.00 178.83 175.89 2nnn h ASN 56 N -0.28 0.41 -0.66 -0.69 2.35 -1.92 -2.40 115.58 112.38 2nnn h ASN 56 Ca 0.02 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.58 2nnn h ASN 56 Cb 0.29 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2nnn h ASN 56 CO -0.07 0.84 0.43 -0.61 -1.65 0.00 0.00 177.43 176.37 2nnn h GLN 57 N 0.30 0.83 -0.60 0.81 4.15 -1.92 -0.40 115.11 118.29 2nnn h GLN 57 Ca 0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2nnn h GLN 57 Cb 0.99 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 2nnn h GLN 57 CO 0.08 0.55 0.35 1.25 -1.93 0.00 0.00 178.83 179.14 2nnn h LEU 58 N 0.86 0.71 -0.44 -2.39 5.85 -0.68 0.05 115.31 119.26 2nnn h LEU 58 Ca 0.25 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.77 2nnn h LEU 58 Cb -0.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2nnn h LEU 58 CO -0.08 0.55 -0.45 1.23 -0.34 0.00 0.00 178.44 179.35 2nnn h GLY 59 N 0.86 0.88 2.00 3.75 0.00 -1.24 -2.54 103.07 106.79 2nnn h GLY 59 Ca 0.21 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.60 2nnn h GLY 59 CO -0.04 0.85 0.00 3.21 0.00 0.00 0.00 176.54 180.56 2nnn h ARG 60 N 0.64 0.00 0.00 4.80 3.08 -0.09 -1.06 114.38 121.75 2nnn h ARG 60 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2nnn h ARG 60 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2nnn h ARG 60 CO 0.10 0.00 -0.92 1.28 -1.07 0.00 0.00 179.97 179.36 2nnn n LEU 61 N -2.69 0.63 -0.63 3.04 4.77 -0.09 -4.32 117.00 117.71 2nnn n LEU 61 Ca 0.00 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 2nnn n LEU 61 Cb 0.22 -0.12 0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2nnn n LEU 61 CO 0.22 0.02 0.34 0.35 -1.33 0.00 0.00 177.39 176.99 2nnn n THR 62 N -1.98 1.39 -2.96 -5.08 -2.24 -0.84 -5.09 114.28 97.49 2nnn n THR 62 Ca 0.02 -2.12 -0.05 0.00 -2.27 0.00 0.00 64.05 59.64 2nnn n THR 62 Cb 0.43 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2nnn n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nnn n ALA 63 N -0.73 -2.85 -2.48 6.98 0.00 -0.46 -4.98 120.51 115.99 2nnn n ALA 63 Ca 0.13 0.41 -0.24 0.00 0.00 0.00 0.00 53.44 53.75 2nnn n ALA 63 Cb 0.77 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 2nnn n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nnn s ASP 65 N -1.54 4.54 0.16 0.00 1.01 -1.26 -5.02 116.67 114.56 2nnn s ASP 65 Ca 0.07 -0.89 -0.16 0.00 0.71 0.00 0.00 52.55 52.27 2nnn s ASP 65 Cb -0.01 -0.62 0.10 0.00 1.01 0.00 0.00 42.92 43.40 2nnn s ASP 65 CO 0.54 -0.37 1.70 0.00 0.21 0.00 0.00 175.17 177.25 2nnn h ALA 66 N 1.53 0.34 -0.41 5.23 0.00 -1.97 0.53 119.26 124.52 2nnn h ALA 66 Ca -0.43 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2nnn h ALA 66 Cb 1.25 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2nnn h ALA 66 CO 0.65 -0.40 -0.09 0.00 0.00 0.00 0.00 179.25 179.41 2nnn h ALA 67 N 1.34 0.56 -0.26 0.00 0.00 -2.02 -1.91 119.26 116.96 2nnn h ALA 67 Ca 0.19 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2nnn h ALA 67 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2nnn h ALA 67 CO -0.32 0.42 -0.02 1.15 0.00 0.00 0.00 179.25 180.48 2nnn h THR 68 N 0.59 1.27 -0.07 0.00 2.02 -1.95 -2.58 112.91 112.19 2nnn h THR 68 Ca 0.10 -0.97 -0.11 0.00 0.77 0.00 0.00 66.41 66.20 2nnn h THR 68 Cb 0.61 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2nnn h THR 68 CO 0.04 0.31 -0.46 -0.29 0.37 0.00 0.00 175.52 175.49 2nnn h ILE 69 N 0.25 1.33 0.05 3.11 6.09 -0.91 -2.78 117.51 124.64 2nnn h ILE 69 Ca 0.07 -1.63 0.02 0.00 -1.37 0.00 0.00 64.86 61.95 2nnn h ILE 69 Cb 0.46 1.79 -0.02 0.00 0.47 0.00 0.00 36.82 39.51 2nnn h ILE 69 CO 0.02 0.48 -0.13 0.50 -3.07 0.00 0.00 178.15 175.94 2nnn h LYS 70 N 0.14 -0.24 -1.01 2.19 3.64 -1.22 -1.05 116.57 119.02 2nnn h LYS 70 Ca 0.01 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2nnn h LYS 70 Cb 0.87 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 2nnn h LYS 70 CO 0.07 -0.16 0.66 0.78 -2.27 0.00 0.00 179.45 178.53 2nnn h GLY 71 N -0.25 1.47 1.98 5.01 0.00 -1.38 -0.10 103.07 109.80 2nnn h GLY 71 Ca 0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 2nnn h GLY 71 CO -0.10 0.45 -0.77 -0.39 0.00 0.00 0.00 176.54 175.72 2nnn h VAL 72 N 1.29 1.28 -0.13 4.60 -1.51 -1.22 -2.21 116.25 118.35 2nnn h VAL 72 Ca 0.40 -2.82 -0.23 0.00 -1.23 0.00 0.00 66.70 62.82 2nnn h VAL 72 Cb -0.02 2.63 0.01 0.00 -2.13 0.00 0.00 31.29 31.78 2nnn h VAL 72 CO -0.12 0.73 -0.80 0.58 -1.23 0.00 0.00 177.57 176.73 2nnn h VAL 73 N 0.00 1.28 -0.23 7.19 2.07 -1.08 -1.72 116.25 123.76 2nnn h VAL 73 Ca -0.01 -2.01 0.02 0.00 0.82 0.00 0.00 66.70 65.52 2nnn h VAL 73 Cb 1.59 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 2nnn h VAL 73 CO 0.10 0.64 0.08 -0.33 0.02 0.00 0.00 177.57 178.07 2nnn h GLU 74 N 0.51 0.18 -0.31 1.57 5.08 -0.98 0.31 114.58 120.94 2nnn h GLU 74 Ca -0.06 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2nnn h GLU 74 Cb 1.43 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2nnn h GLU 74 CO 0.16 0.12 -0.29 0.00 -1.00 0.00 0.00 179.01 178.00 2nnn h ARG 75 N 0.19 0.64 -0.34 2.33 3.08 -1.46 0.35 114.38 119.17 2nnn h ARG 75 Ca 0.10 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.74 2nnn h ARG 75 Cb 0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2nnn h ARG 75 CO -0.11 0.86 -0.36 1.25 -1.07 0.00 0.00 179.97 180.54 2nnn h LEU 76 N 0.55 0.82 -0.55 3.04 5.85 -1.06 -3.00 115.31 120.96 2nnn h LEU 76 Ca 0.07 -0.35 -0.16 0.00 0.84 0.00 0.00 57.88 58.28 2nnn h LEU 76 Cb 0.78 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2nnn h LEU 76 CO 0.06 1.09 -0.70 -0.78 -0.34 0.00 0.00 178.44 177.78 2nnn h ASP 77 N 0.64 0.18 0.11 1.25 3.58 -0.26 -2.59 116.42 119.34 2nnn h ASP 77 Ca 0.06 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2nnn h ASP 77 Cb 0.90 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2nnn h ASP 77 CO 0.08 0.82 0.00 1.17 -2.88 0.00 0.00 179.24 178.43 2nnn n LYS 78 N -3.77 0.25 0.00 0.28 0.00 0.10 -1.81 118.16 113.21 2nnn n LYS 78 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 58.31 58.38 2nnn n LYS 78 Cb 0.68 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.21 2nnn n LYS 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2nnn n ARG 79 N -1.15 -0.16 -1.17 1.64 1.74 -1.14 -5.02 116.66 111.40 2nnn n ARG 79 Ca 0.07 -0.62 -0.06 0.00 -0.77 0.00 0.00 57.85 56.47 2nnn n ARG 79 Cb 0.06 -0.93 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 2nnn n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nnn n GLY 80 N -0.09 0.81 0.17 -0.13 0.00 -0.75 -4.90 105.19 100.30 2nnn n GLY 80 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.68 2nnn n GLY 80 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nnn h LEU 81 N 0.00 0.00 -8.72 0.99 3.38 -1.72 -3.39 115.31 105.86 2nnn h LEU 81 Ca -0.12 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.49 2nnn h LEU 81 Cb 0.53 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.14 2nnn h LEU 81 CO 0.18 0.21 -0.72 0.27 0.09 0.00 0.00 178.44 178.47 2nnn s ILE 82 N -3.13 1.32 0.06 1.22 -5.25 -1.24 -1.67 121.20 112.52 2nnn s ILE 82 Ca 0.04 -2.10 0.08 0.00 -0.99 0.00 0.00 60.65 57.67 2nnn s ILE 82 Cb 0.07 -1.91 -0.03 0.00 2.95 0.00 0.00 42.46 43.54 2nnn s ILE 82 CO 0.73 -0.70 -0.21 0.00 -1.79 0.00 0.00 174.94 172.96 2nnn s GLN 83 N -3.72 1.34 -0.12 0.37 -2.07 0.20 -4.63 119.66 111.03 2nnn s GLN 83 Ca 0.18 -1.02 -0.01 0.00 -1.82 0.00 0.00 55.36 52.69 2nnn s GLN 83 Cb 0.02 -1.51 -0.02 0.00 -1.09 0.00 0.00 33.01 30.40 2nnn s GLN 83 CO 0.02 0.38 -0.07 1.03 -1.32 0.00 0.00 175.29 175.33 2nnn s ARG 84 N -1.39 3.34 -0.00 9.60 0.52 -1.26 -1.22 118.95 128.53 2nnn s ARG 84 Ca 0.08 -0.58 -0.09 0.00 -0.52 0.00 0.00 55.73 54.62 2nnn s ARG 84 Cb -0.09 -2.74 0.01 0.00 0.52 0.00 0.00 34.95 32.64 2nnn s ARG 84 CO 0.03 0.35 0.17 -1.54 0.02 0.00 0.00 175.30 174.33 2nnn s SER 85 N 0.04 -0.03 0.24 0.23 1.04 -0.54 -4.98 113.70 109.70 2nnn s SER 85 Ca -0.02 -0.12 -0.31 0.00 0.48 0.00 0.00 55.95 55.98 2nnn s SER 85 Cb -0.14 0.24 -0.12 0.00 0.10 0.00 0.00 66.02 66.10 2nnn s SER 85 CO 0.03 -0.37 1.64 0.00 0.98 0.00 0.00 173.24 175.53 2nnn n ALA 86 N 1.51 2.48 -1.96 5.32 0.00 -1.26 -0.43 120.51 126.17 2nnn n ALA 86 Ca -0.22 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 2nnn n ALA 86 Cb 0.56 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 2nnn n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2nnn s ASP 87 N 0.83 6.64 0.18 0.00 -1.08 -0.68 -4.77 116.67 117.79 2nnn s ASP 87 Ca 0.71 2.30 0.20 0.00 -0.52 0.00 0.00 52.55 55.23 2nnn s ASP 87 Cb -0.53 -2.53 0.85 0.00 -1.46 0.00 0.00 42.92 39.25 2nnn s ASP 87 CO 0.40 -0.94 1.61 -0.81 0.52 0.00 0.00 175.17 175.95 2nnn n PRO 88 N 7.12 0.13 0.00 4.34 -0.04 -1.26 -2.54 135.00 142.74 2nnn n PRO 88 Ca 0.17 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 2nnn n PRO 88 Cb 0.42 -1.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.08 2nnn n PRO 88 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2nnn n ASP 89 N -1.99 1.53 -3.08 3.54 8.00 -1.26 -4.83 116.55 118.45 2nnn n ASP 89 Ca 0.02 -1.26 0.04 0.00 0.71 0.00 0.00 54.79 54.30 2nnn n ASP 89 Cb 0.19 0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 2nnn n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2nnn s ASP 90 N -2.61 -0.77 0.24 -2.24 -1.08 -1.05 -5.05 116.67 104.11 2nnn s ASP 90 Ca 0.13 -0.05 0.18 0.00 -0.52 0.00 0.00 52.55 52.29 2nnn s ASP 90 Cb 0.16 1.33 0.90 0.00 -1.46 0.00 0.00 42.92 43.85 2nnn s ASP 90 CO 0.67 -0.12 1.54 0.61 0.52 0.00 0.00 175.17 178.38 2nnn n GLY 91 N 4.82 -0.87 0.17 2.66 0.00 -1.17 -1.28 105.19 109.52 2nnn n GLY 91 Ca 0.08 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.36 2nnn n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nnn h ARG 92 N 0.00 0.00 -6.37 1.61 3.08 -1.97 -3.44 114.38 107.30 2nnn h ARG 92 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2nnn h ARG 92 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2nnn h ARG 92 CO 0.00 0.00 -0.23 1.03 -1.07 0.00 0.00 179.97 179.70 2nnn s ARG 93 N -3.20 3.59 -0.21 0.04 0.52 -0.41 -5.03 118.95 114.25 2nnn s ARG 93 Ca 0.08 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 2nnn s ARG 93 Cb 0.09 -2.73 0.02 0.00 0.52 0.00 0.00 34.95 32.84 2nnn s ARG 93 CO 0.62 0.30 -0.14 -1.17 0.02 0.00 0.00 175.30 174.92 2nnn s LEU 94 N -3.42 2.58 0.02 2.53 2.96 -1.26 -1.68 118.68 120.40 2nnn s LEU 94 Ca 0.42 -0.74 -0.26 0.00 -0.22 0.00 0.00 54.13 53.33 2nnn s LEU 94 Cb -0.11 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 2nnn s LEU 94 CO 0.29 -0.05 0.82 -0.76 -1.32 0.00 0.00 176.35 175.33 2nnn s LEU 95 N 1.30 4.41 -0.11 -0.68 1.02 0.43 -2.47 118.68 122.57 2nnn s LEU 95 Ca 0.03 1.47 -0.05 0.00 0.02 0.00 0.00 54.13 55.60 2nnn s LEU 95 Cb -0.15 -3.31 -0.04 0.00 0.02 0.00 0.00 46.19 42.72 2nnn s LEU 95 CO -0.09 -0.08 0.08 -0.69 0.02 0.00 0.00 176.35 175.59 2nnn s VAL 96 N 0.36 5.00 -0.03 -1.59 1.01 0.36 -1.47 120.40 124.03 2nnn s VAL 96 Ca 0.42 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 2nnn s VAL 96 Cb -0.20 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.06 2nnn s VAL 96 CO 0.24 0.61 0.41 -0.55 0.00 0.00 0.00 175.10 175.80 2nnn s SER 97 N -0.90 -0.32 0.24 3.32 0.15 -0.36 -0.42 113.70 115.40 2nnn s SER 97 Ca 0.14 0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.78 2nnn s SER 97 Cb -0.12 0.40 -0.09 0.00 -1.71 0.00 0.00 66.02 64.50 2nnn s SER 97 CO 0.03 -0.47 1.27 -0.76 1.20 0.00 0.00 173.24 174.51 2nnn s LEU 98 N -1.21 4.44 0.82 3.45 1.02 -1.26 0.61 118.68 126.55 2nnn s LEU 98 Ca -0.12 2.43 -0.11 0.00 0.02 0.00 0.00 54.13 56.35 2nnn s LEU 98 Cb -0.04 -3.62 0.08 0.00 0.02 0.00 0.00 46.19 42.64 2nnn s LEU 98 CO 0.05 -0.46 1.09 -0.44 0.02 0.00 0.00 176.35 176.61 2nnn s SER 99 N -0.01 4.14 0.31 2.29 0.01 -0.67 -4.74 113.70 115.02 2nnn s SER 99 Ca 0.53 1.61 0.03 0.00 1.31 0.00 0.00 55.95 59.44 2nnn s SER 99 Cb -0.36 -2.32 0.63 0.00 0.21 0.00 0.00 66.02 64.18 2nnn s SER 99 CO 0.42 -2.23 1.85 1.55 0.41 0.00 0.00 173.24 175.23 2nnn h PRO 100 N -1.27 0.89 0.35 12.44 0.13 -1.91 0.85 132.00 143.48 2nnn h PRO 100 Ca -0.46 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2nnn h PRO 100 Cb 1.26 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2nnn h PRO 100 CO 0.54 0.59 -0.49 0.00 -0.23 0.00 0.00 178.00 178.40 2nnn h ALA 101 N 1.56 -1.04 -0.60 -0.56 0.00 -1.90 -1.30 119.26 115.42 2nnn h ALA 101 Ca 0.47 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.24 2nnn h ALA 101 Cb 0.53 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2nnn h ALA 101 CO -0.24 -1.13 0.40 0.78 0.00 0.00 0.00 179.25 179.05 2nnn h GLY 102 N -0.89 0.83 1.47 0.00 0.00 -1.50 0.54 103.07 103.51 2nnn h GLY 102 Ca -0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 2nnn h GLY 102 CO -0.14 0.29 -0.01 -0.09 0.00 0.00 0.00 176.54 176.59 2nnn h ARG 103 N 0.78 0.65 0.20 4.80 9.65 0.81 -0.90 114.38 130.37 2nnn h ARG 103 Ca 0.22 -0.16 -0.35 0.00 -1.10 0.00 0.00 59.98 58.59 2nnn h ARG 103 Cb -0.06 -0.08 0.02 0.00 -1.39 0.00 0.00 29.97 28.46 2nnn h ARG 103 CO -0.05 0.68 -1.69 0.00 2.80 0.00 0.00 179.97 181.71 2nnn h ALA 104 N 1.38 0.08 -0.12 2.80 0.00 -0.05 -3.00 119.26 120.35 2nnn h ALA 104 Ca 0.12 -1.08 -0.05 0.00 0.00 0.00 0.00 54.91 53.91 2nnn h ALA 104 Cb 0.40 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2nnn h ALA 104 CO 0.02 0.95 -0.17 1.49 0.00 0.00 0.00 179.25 181.54 2nnn h GLU 105 N 0.12 0.19 0.50 0.00 4.81 0.03 -1.66 114.58 118.58 2nnn h GLU 105 Ca -0.32 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2nnn h GLU 105 Cb 2.12 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.45 2nnn h GLU 105 CO 0.20 0.37 -0.44 1.25 -0.73 0.00 0.00 179.01 179.66 2nnn h LEU 106 N 0.18 -1.17 -8.07 1.64 5.85 -1.26 -3.40 115.31 109.08 2nnn h LEU 106 Ca 0.04 0.09 -0.40 0.00 0.84 0.00 0.00 57.88 58.44 2nnn h LEU 106 Cb 0.41 0.38 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 2nnn h LEU 106 CO 0.03 -0.61 1.17 -1.61 -0.34 0.00 0.00 178.44 177.07 2nnn s GLU 107 N -5.94 2.87 0.00 1.25 0.41 -0.62 -0.70 118.70 115.96 2nnn s GLU 107 Ca -0.18 -0.98 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 2nnn s GLU 107 Cb 0.05 -5.24 0.00 0.00 -1.78 0.00 0.00 34.13 27.16 2nnn s GLU 107 CO 0.62 -3.30 0.00 0.41 -0.49 0.00 0.00 175.26 172.50 2nnn n GLY 109 N 6.26 2.49 0.19 -1.39 0.00 -1.26 -4.60 105.19 106.88 2nnn n GLY 109 Ca 0.42 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.82 2nnn n GLY 109 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nnn h LEU 110 N 0.00 0.00 -0.41 0.99 3.38 -1.17 -3.26 115.31 114.84 2nnn h LEU 110 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2nnn h LEU 110 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2nnn h LEU 110 CO 0.00 0.35 0.13 0.00 0.09 0.00 0.00 178.44 179.01 2nnn h ALA 111 N 1.65 0.53 -0.72 1.53 0.00 -1.87 -1.79 119.26 118.60 2nnn h ALA 111 Ca -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2nnn h ALA 111 Cb 0.87 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2nnn h ALA 111 CO 0.04 0.17 0.47 0.00 0.00 0.00 0.00 179.25 179.94 2nnn h ALA 112 N 0.98 0.93 -0.82 0.00 0.00 -1.87 -1.26 119.26 117.22 2nnn h ALA 112 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2nnn h ALA 112 Cb 0.25 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2nnn h ALA 112 CO -0.01 0.31 0.49 0.00 0.00 0.00 0.00 179.25 180.04 2nnn h ALA 113 N 1.28 1.04 0.00 0.00 0.00 -1.57 0.13 119.26 120.14 2nnn h ALA 113 Ca 0.27 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2nnn h ALA 113 Cb -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2nnn h ALA 113 CO -0.07 0.51 -0.51 0.00 0.00 0.00 0.00 179.25 179.18 2nnn h ARG 114 N 1.12 0.00 -0.16 0.00 3.08 -1.05 -1.91 114.38 115.47 2nnn h ARG 114 Ca 0.29 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.26 2nnn h ARG 114 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2nnn h ARG 114 CO -0.05 0.51 -0.23 1.49 -1.07 0.00 0.00 179.97 180.62 2nnn h GLU 115 N 0.00 0.43 -0.35 0.04 4.57 -0.82 -1.82 114.58 116.63 2nnn h GLU 115 Ca -0.01 -0.26 0.07 0.00 -1.18 0.00 0.00 59.36 57.99 2nnn h GLU 115 Cb 1.03 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.57 2nnn h GLU 115 CO 0.07 0.84 -0.13 0.82 -1.18 0.00 0.00 179.01 179.43 2nnn h ILE 116 N 0.06 0.57 -0.49 2.32 2.04 -0.63 -1.37 117.51 120.02 2nnn h ILE 116 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2nnn h ILE 116 Cb 0.80 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2nnn h ILE 116 CO 0.05 0.00 0.18 0.78 0.00 0.00 0.00 178.15 179.17 2nnn h ASN 117 N -0.05 0.68 0.21 1.72 2.35 -1.36 -1.37 115.58 117.76 2nnn h ASN 117 Ca 0.17 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 2nnn h ASN 117 Cb 0.32 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2nnn h ASN 117 CO -0.39 0.68 -0.36 0.08 -1.65 0.00 0.00 177.43 175.79 2nnn h ARG 118 N 0.65 0.22 -0.37 0.81 0.11 -1.13 -2.27 114.38 112.40 2nnn h ARG 118 Ca 0.16 -0.09 -0.02 0.00 0.10 0.00 0.00 59.98 60.14 2nnn h ARG 118 Cb 0.22 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 2nnn h ARG 118 CO -0.01 0.55 0.17 1.96 0.10 0.00 0.00 179.97 182.73 2nnn h GLN 119 N 0.19 0.53 -0.28 0.08 4.20 -0.96 0.15 115.11 119.03 2nnn h GLN 119 Ca 0.02 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2nnn h GLN 119 Cb 0.72 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2nnn h GLN 119 CO 0.05 0.49 0.11 0.00 -0.67 0.00 0.00 178.83 178.82 2nnn h ALA 120 N 1.01 1.68 -0.02 3.87 0.00 -0.99 -2.83 119.26 121.99 2nnn h ALA 120 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2nnn h ALA 120 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2nnn h ALA 120 CO -0.01 0.26 -0.36 1.28 0.00 0.00 0.00 179.25 180.41 2nnn n LEU 121 N -4.43 2.05 -0.11 0.00 4.77 -0.88 -4.58 117.00 113.83 2nnn n LEU 121 Ca 0.01 -0.73 0.19 0.00 -0.03 0.00 0.00 56.01 55.45 2nnn n LEU 121 Cb 0.12 -0.02 0.59 0.00 -2.33 0.00 0.00 43.42 41.79 2nnn n LEU 121 CO 0.36 0.37 1.21 0.00 -1.33 0.00 0.00 177.39 178.00 2nnn h ALA 122 N 4.01 2.33 0.00 -1.18 0.00 -0.70 -1.23 119.26 122.50 2nnn h ALA 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nnn h ALA 122 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2nnn h ALA 122 CO 0.00 -0.53 0.00 -1.35 0.00 0.00 0.00 179.25 177.37 2nnn h PRO 123 N 0.22 0.00 -6.23 0.00 0.11 -1.80 -3.43 132.00 120.87 2nnn h PRO 123 Ca 0.34 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.90 2nnn h PRO 123 Cb 1.01 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.04 2nnn h PRO 123 CO -0.07 0.00 -0.60 -0.51 -0.21 0.00 0.00 178.00 176.61 2nnn s LEU 124 N -5.10 3.51 0.79 2.35 1.02 -0.46 -5.14 118.68 115.64 2nnn s LEU 124 Ca -0.03 -0.39 -0.09 0.00 0.02 0.00 0.00 54.13 53.63 2nnn s LEU 124 Cb 0.09 -2.07 0.11 0.00 0.02 0.00 0.00 46.19 44.33 2nnn s LEU 124 CO 0.28 0.02 1.13 -0.94 0.02 0.00 0.00 176.35 176.86 2nnn s SER 125 N -3.48 4.26 0.30 2.29 1.04 -1.26 -4.82 113.70 112.04 2nnn s SER 125 Ca 0.31 0.39 0.02 0.00 0.48 0.00 0.00 55.95 57.14 2nnn s SER 125 Cb -0.08 -0.82 0.49 0.00 0.10 0.00 0.00 66.02 65.71 2nnn s SER 125 CO 0.22 -1.98 1.83 -0.07 0.98 0.00 0.00 173.24 174.21 2nnn h LEU 126 N -0.96 0.60 -0.92 2.42 3.38 -1.98 0.48 115.31 118.33 2nnn h LEU 126 Ca -0.44 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.30 2nnn h LEU 126 Cb 1.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2nnn h LEU 126 CO 0.54 0.67 -0.49 1.56 0.09 0.00 0.00 178.44 180.81 2nnn h GLN 127 N 0.60 0.00 0.13 1.13 4.20 -1.99 -0.71 115.11 118.47 2nnn h GLN 127 Ca 0.12 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.54 2nnn h GLN 127 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2nnn h GLN 127 CO 0.01 0.49 -1.41 0.93 -0.67 0.00 0.00 178.83 178.18 2nnn h GLU 128 N 0.00 0.28 -0.26 1.46 5.08 -1.76 -2.96 114.58 116.42 2nnn h GLU 128 Ca -0.00 -0.48 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 2nnn h GLU 128 Cb 0.95 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2nnn h GLU 128 CO 0.06 1.18 -0.25 1.96 -1.00 0.00 0.00 179.01 180.96 2nnn h GLN 129 N 0.08 0.50 0.35 2.33 4.20 0.01 -1.33 115.11 121.24 2nnn h GLN 129 Ca -0.20 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 2nnn h GLN 129 Cb 2.01 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 2nnn h GLN 129 CO 0.19 0.71 -0.28 0.93 -0.67 0.00 0.00 178.83 179.71 2nnn h GLU 130 N 0.44 -0.61 0.13 1.46 5.08 -1.21 -2.73 114.58 117.14 2nnn h GLU 130 Ca 0.06 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2nnn h GLU 130 Cb 0.68 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2nnn h GLU 130 CO 0.05 -0.41 -0.08 1.15 -1.00 0.00 0.00 179.01 178.72 2nnn h THR 131 N -0.64 0.82 -0.24 1.13 2.02 -1.36 -2.67 112.91 111.97 2nnn h THR 131 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 2nnn h THR 131 Cb 0.56 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2nnn h THR 131 CO -0.01 0.00 0.11 0.25 0.37 0.00 0.00 175.52 176.23 2nnn h LEU 132 N -0.21 0.15 -0.92 2.58 5.85 -1.33 -1.17 115.31 120.26 2nnn h LEU 132 Ca -0.01 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2nnn h LEU 132 Cb 0.18 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 2nnn h LEU 132 CO 0.01 0.12 0.55 -0.09 -0.34 0.00 0.00 178.44 178.69 2nnn h ARG 133 N 0.24 0.81 -0.26 1.25 2.43 -1.40 0.70 114.38 118.13 2nnn h ARG 133 Ca 0.10 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2nnn h ARG 133 Cb 0.04 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2nnn h ARG 133 CO -0.08 0.53 -0.27 0.78 -1.51 0.00 0.00 179.97 179.42 2nnn h GLY 134 N 0.83 0.70 0.81 2.80 0.00 -1.05 -2.25 103.07 104.92 2nnn h GLY 134 Ca 0.47 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2nnn h GLY 134 CO -0.30 0.65 0.02 1.41 0.00 0.00 0.00 176.54 178.33 2nnn h LEU 135 N 0.37 0.24 -1.07 3.11 4.07 -0.79 -3.16 115.31 118.08 2nnn h LEU 135 Ca 0.04 -0.26 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 2nnn h LEU 135 Cb 0.83 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.48 2nnn h LEU 135 CO 0.07 0.44 0.39 -0.07 -1.08 0.00 0.00 178.44 178.19 2nnn h LEU 136 N 0.03 0.93 -1.51 1.67 3.38 -0.95 -2.77 115.31 116.09 2nnn h LEU 136 Ca 0.05 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2nnn h LEU 136 Cb 0.31 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2nnn h LEU 136 CO 0.00 0.77 0.39 0.00 0.09 0.00 0.00 178.44 179.69 2nnn h ALA 137 N 1.38 1.77 0.00 1.53 0.00 -1.38 0.13 119.26 122.70 2nnn h ALA 137 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2nnn h ALA 137 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2nnn h ALA 137 CO -0.04 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2nnn h ARG 138 N 0.62 0.00 -0.64 0.00 2.47 -1.46 -3.06 114.38 112.31 2nnn h ARG 138 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 2nnn h ARG 138 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2nnn h ARG 138 CO -0.07 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.74 2nnn n LEU 139 N -2.51 4.37 0.00 3.04 4.77 0.46 -5.14 117.00 121.98 2nnn n LEU 139 Ca 0.01 -2.31 0.12 0.00 -0.03 0.00 0.00 56.01 53.80 2nnn n LEU 139 Cb 0.22 -0.52 0.68 0.00 -2.33 0.00 0.00 43.42 41.47 2nnn n LEU 139 CO 0.21 0.85 0.87 -0.38 -1.33 0.00 0.00 177.39 177.61