#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 0.43 0.00 6.15 5.85 -2.07 -3.28 115.31 122.39 2nnn h LEU 9 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2nnn h LEU 9 Cb 0.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2nnn h LEU 9 CO 0.00 0.68 0.00 0.47 -0.34 0.00 0.00 178.44 179.25 2nnn n ASP 10 N -4.13 0.00 -0.05 1.25 9.92 -1.26 -1.57 116.55 120.71 2nnn n ASP 10 Ca -0.00 0.05 0.01 0.00 -0.53 0.00 0.00 54.79 54.31 2nnn n ASP 10 Cb 0.39 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 2nnn n ASP 10 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2nnn n ASP 11 N -1.22 1.08 -4.69 -2.24 8.00 -1.24 -4.88 116.55 111.36 2nnn n ASP 11 Ca 0.05 -1.04 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 2nnn n ASP 11 Cb 0.06 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.13 4.20 0.53 -1.24 -1.52 -0.61 -4.90 119.66 115.99 2nnn s GLN 12 Ca 0.01 2.34 0.20 0.00 -1.95 0.00 0.00 55.36 55.97 2nnn s GLN 12 Cb 0.01 -3.51 1.33 0.00 -0.22 0.00 0.00 33.01 30.62 2nnn s GLN 12 CO 0.02 -0.71 2.08 0.97 -0.25 0.00 0.00 175.29 177.40 2nnn h ILE 13 N 4.65 0.88 0.29 1.08 2.10 -1.95 -1.74 117.51 122.82 2nnn h ILE 13 Ca -0.43 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.50 2nnn h ILE 13 Cb 1.20 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 2nnn h ILE 13 CO 0.93 0.00 -0.14 1.23 -1.08 0.00 0.00 178.15 179.09 2nnn h GLY 14 N 0.00 -0.40 1.01 8.18 0.00 -1.95 0.10 103.07 110.00 2nnn h GLY 14 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2nnn h GLY 14 CO -0.00 -0.15 0.48 -2.75 0.00 0.00 0.00 176.54 174.12 2nnn h PHE 15 N -0.45 0.94 -0.04 5.60 3.57 -1.75 -0.91 116.94 123.90 2nnn h PHE 15 Ca -0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2nnn h PHE 15 Cb 0.34 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2nnn h PHE 15 CO -0.04 0.61 0.02 0.82 -2.23 0.00 0.00 178.31 177.49 2nnn h ILE 16 N 1.01 1.06 -0.54 1.41 2.04 -1.28 -1.88 117.51 119.33 2nnn h ILE 16 Ca 0.27 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 66.04 2nnn h ILE 16 Cb -0.09 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2nnn h ILE 16 CO -0.06 0.05 0.17 -0.07 0.00 0.00 0.00 178.15 178.25 2nnn h LEU 17 N -0.01 0.14 -0.45 1.44 3.38 -0.81 -0.10 115.31 118.90 2nnn h LEU 17 Ca 0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2nnn h LEU 17 Cb 0.06 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2nnn h LEU 17 CO -0.00 0.10 0.23 -0.09 0.09 0.00 0.00 178.44 178.77 2nnn h ARG 18 N 0.34 0.64 -0.39 1.13 2.43 -0.99 -0.69 114.38 116.84 2nnn h ARG 18 Ca 0.27 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2nnn h ARG 18 Cb 0.33 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2nnn h ARG 18 CO -0.30 0.53 0.04 1.96 -1.51 0.00 0.00 179.97 180.69 2nnn h GLN 19 N 0.59 0.67 -0.62 0.20 4.20 -1.05 0.15 115.11 119.25 2nnn h GLN 19 Ca 0.16 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2nnn h GLN 19 Cb 0.09 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2nnn h GLN 19 CO -0.02 0.74 0.18 0.00 -0.67 0.00 0.00 178.83 179.05 2nnn h ALA 20 N 0.91 1.14 -0.33 3.87 0.00 -0.94 0.63 119.26 124.54 2nnn h ALA 20 Ca 0.12 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2nnn h ALA 20 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2nnn h ALA 20 CO 0.01 0.59 -0.16 -0.97 0.00 0.00 0.00 179.25 178.72 2nnn h ASN 21 N 0.92 0.58 -0.42 0.00 -0.00 -0.79 -1.11 115.58 114.77 2nnn h ASN 21 Ca 0.20 -0.17 -0.10 0.00 -0.00 0.00 0.00 56.30 56.23 2nnn h ASN 21 Cb 0.29 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.43 2nnn h ASN 21 CO -0.01 0.76 -0.09 1.56 -0.00 0.00 0.00 177.43 179.66 2nnn h GLN 22 N 0.53 0.86 -0.32 6.67 4.20 -0.26 -0.46 115.11 126.33 2nnn h GLN 22 Ca 0.09 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 2nnn h GLN 22 Cb 0.59 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2nnn h GLN 22 CO 0.04 0.92 0.06 -0.09 -0.67 0.00 0.00 178.83 179.09 2nnn h ARG 23 N 0.78 0.52 -0.35 1.46 2.43 -0.60 -2.13 114.38 116.49 2nnn h ARG 23 Ca 0.13 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2nnn h ARG 23 Cb 0.59 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2nnn h ARG 23 CO 0.04 0.60 0.19 -0.92 -1.51 0.00 0.00 179.97 178.37 2nnn h TYR 24 N 0.35 0.47 -0.58 2.20 3.20 -1.03 -1.35 116.97 120.24 2nnn h TYR 24 Ca 0.10 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.06 2nnn h TYR 24 Cb 0.33 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.36 2nnn h TYR 24 CO 0.02 0.37 0.12 0.00 -1.64 0.00 0.00 178.16 177.03 2nnn h ALA 25 N 1.06 0.68 0.91 1.82 0.00 -1.01 0.45 119.26 123.17 2nnn h ALA 25 Ca 0.12 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2nnn h ALA 25 Cb 0.06 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2nnn h ALA 25 CO -0.02 -0.31 -0.48 0.00 0.00 0.00 0.00 179.25 178.45 2nnn h ALA 26 N 1.46 -1.29 -0.35 0.00 0.00 -0.99 -1.16 119.26 116.93 2nnn h ALA 26 Ca 0.30 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2nnn h ALA 26 Cb 0.44 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2nnn h ALA 26 CO -0.39 -1.23 0.24 -0.07 0.00 0.00 0.00 179.25 177.80 2nnn h LEU 27 N -1.28 0.17 -0.10 0.00 3.38 -1.01 -1.62 115.31 114.85 2nnn h LEU 27 Ca -0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2nnn h LEU 27 Cb 0.99 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2nnn h LEU 27 CO 0.18 0.11 -0.11 0.15 0.09 0.00 0.00 178.44 178.86 2nnn h PHE 28 N 0.19 0.30 -0.89 1.13 3.04 -0.79 -2.27 116.94 117.64 2nnn h PHE 28 Ca 0.16 -0.09 0.04 0.00 3.98 0.00 0.00 57.97 62.05 2nnn h PHE 28 Cb 0.38 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.78 2nnn h PHE 28 CO -0.00 0.68 0.59 0.00 -2.02 0.00 0.00 178.31 177.56 2nnn h ALA 29 N 0.57 1.44 -0.01 2.41 0.00 -0.30 -1.64 119.26 121.73 2nnn h ALA 29 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nnn h ALA 29 Cb 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2nnn h ALA 29 CO 0.03 0.47 -0.23 0.09 0.00 0.00 0.00 179.25 179.61 2nnn n ASN 30 N -4.44 0.79 -0.00 0.00 3.02 -0.76 -4.44 115.26 109.43 2nnn n ASN 30 Ca 0.12 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 2nnn n ASN 30 Cb 0.11 0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 2nnn n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nnn n GLY 31 N 1.34 -0.04 0.11 7.41 0.00 -0.80 -4.80 105.19 108.41 2nnn n GLY 31 Ca 0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 1.52 0.00 -0.61 6.09 -1.54 -3.44 117.51 119.53 2nnn h ILE 32 Ca -0.01 -2.86 0.00 0.00 -1.37 0.00 0.00 64.86 60.62 2nnn h ILE 32 Cb 0.30 2.66 0.00 0.00 0.47 0.00 0.00 36.82 40.25 2nnn h ILE 32 CO 0.00 0.83 0.00 0.61 -3.07 0.00 0.00 178.15 176.52 2nnn n GLY 33 N 1.14 2.03 0.10 8.18 0.00 -1.26 -4.76 105.19 110.62 2nnn n GLY 33 Ca -0.05 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 1.29 0.57 0.00 1.61 0.23 -1.26 -4.94 115.26 112.75 2nnn n ASN 34 Ca 0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 54.58 53.63 2nnn n ASN 34 Cb 0.00 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 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 1.39 0.74 3.82 4.83 0.00 -1.26 -5.04 105.19 109.68 2nnn n GLY 35 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 4.32 0.83 0.99 1.43 -1.26 -5.08 118.68 119.91 2nnn s LEU 36 Ca 0.00 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.31 2nnn s LEU 36 Cb 0.00 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.75 2nnn s LEU 36 CO 0.00 0.03 1.10 0.42 0.23 0.00 0.00 176.35 178.13 2nnn s THR 37 N -1.55 2.88 0.49 5.49 -4.23 -1.26 -4.85 115.64 112.60 2nnn s THR 37 Ca 0.43 0.28 0.19 0.00 -1.18 0.00 0.00 61.69 61.41 2nnn s THR 37 Cb -0.16 -2.97 0.35 0.00 1.34 0.00 0.00 72.50 71.07 2nnn s THR 37 CO 0.20 -0.37 2.01 -0.65 -0.54 0.00 0.00 174.62 175.27 2nnn h PRO 38 N -1.24 0.18 0.03 3.99 0.11 -1.96 -2.07 132.00 131.05 2nnn h PRO 38 Ca -0.48 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.35 2nnn h PRO 38 Cb 1.28 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2nnn h PRO 38 CO 0.58 0.12 -1.44 1.79 -0.21 0.00 0.00 178.00 178.84 2nnn h THR 39 N 0.18 1.20 -0.62 -1.15 1.35 -1.99 -2.16 112.91 109.72 2nnn h THR 39 Ca 0.24 -2.95 -0.06 0.00 -0.55 0.00 0.00 66.41 63.08 2nnn h THR 39 Cb 0.69 2.64 -0.03 0.00 -1.73 0.00 0.00 68.15 69.72 2nnn h THR 39 CO -0.04 0.73 0.14 1.56 -0.25 0.00 0.00 175.52 177.66 2nnn h GLN 40 N 0.02 0.98 -0.33 4.72 4.20 -1.90 -2.19 115.11 120.62 2nnn h GLN 40 Ca -0.19 -0.23 -0.13 0.00 0.06 0.00 0.00 58.65 58.17 2nnn h GLN 40 Cb 1.93 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.57 2nnn h GLN 40 CO 0.11 0.88 -0.30 2.35 -0.67 0.00 0.00 178.83 181.21 2nnn h TRP 41 N 0.93 0.93 -0.71 2.96 2.91 -1.42 -2.36 115.95 119.19 2nnn h TRP 41 Ca 0.20 -0.27 0.04 0.00 1.13 0.00 0.00 58.89 59.98 2nnn h TRP 41 Cb 0.36 -0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 28.76 2nnn h TRP 41 CO 0.02 1.04 0.44 0.00 -1.03 0.00 0.00 178.44 178.91 2nnn h ALA 42 N 0.74 0.94 -0.51 2.65 0.00 -1.29 0.20 119.26 121.99 2nnn h ALA 42 Ca 0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2nnn h ALA 42 Cb 0.87 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2nnn h ALA 42 CO 0.08 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2nnn h ALA 43 N 1.32 0.69 -0.44 0.00 0.00 -1.38 0.12 119.26 119.57 2nnn h ALA 43 Ca 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2nnn h ALA 43 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2nnn h ALA 43 CO -0.13 0.50 0.20 1.25 0.00 0.00 0.00 179.25 181.07 2nnn h LEU 44 N 0.76 0.59 -0.06 0.00 5.85 -0.96 -1.64 115.31 119.86 2nnn h LEU 44 Ca 0.14 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2nnn h LEU 44 Cb 0.52 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2nnn h LEU 44 CO 0.03 0.57 0.04 0.58 -0.34 0.00 0.00 178.44 179.31 2nnn h VAL 45 N 0.58 1.03 -0.96 1.05 2.07 -0.52 -2.59 116.25 116.90 2nnn h VAL 45 Ca 0.15 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.66 2nnn h VAL 45 Cb 0.14 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2nnn h VAL 45 CO -0.02 0.03 0.63 -0.09 0.02 0.00 0.00 177.57 178.13 2nnn h ARG 46 N 0.06 1.09 0.00 1.57 9.65 -0.78 -1.36 114.38 124.61 2nnn h ARG 46 Ca 0.02 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 2nnn h ARG 46 Cb 0.01 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 2nnn h ARG 46 CO -0.00 0.72 -0.41 -0.07 2.80 0.00 0.00 179.97 183.00 2nnn h LEU 47 N 1.12 0.00 -2.08 3.80 3.38 -1.17 -1.20 115.31 119.16 2nnn h LEU 47 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 2nnn h LEU 47 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2nnn h LEU 47 CO -0.16 0.41 -0.04 1.23 0.09 0.00 0.00 178.44 179.98 2nnn h GLY 48 N 1.34 0.00 0.84 0.83 0.00 -0.85 -2.27 103.07 102.95 2nnn h GLY 48 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2nnn h GLY 48 CO 0.05 0.00 -1.83 0.83 0.00 0.00 0.00 176.54 175.60 2nnn h GLU 49 N 0.00 0.31 0.00 4.80 5.08 -1.04 -3.41 114.58 120.32 2nnn h GLU 49 Ca -0.00 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 57.80 2nnn h GLU 49 Cb 0.07 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2nnn h GLU 49 CO 0.00 1.22 -1.83 0.25 -1.00 0.00 0.00 179.01 177.65 2nnn n THR 50 N -3.51 0.26 -4.66 1.13 -2.24 -0.68 -5.09 114.28 99.50 2nnn n THR 50 Ca -0.26 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2nnn n THR 50 Cb 1.06 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.29 -0.19 3.65 3.38 0.00 -0.86 -4.81 105.19 107.64 2nnn n GLY 51 Ca -0.06 -1.02 -0.47 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.29 1.93 -3.78 1.61 -0.02 -1.26 -4.84 135.00 128.35 2nnn n PRO 52 Ca 0.00 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 2nnn n PRO 52 Cb 0.00 -2.44 -0.13 0.00 -0.02 0.00 0.00 33.50 30.91 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 3.55 1.99 -0.28 0.00 -0.02 -1.26 0.18 135.00 139.17 2nnn n PRO 54 Ca -0.19 0.71 -0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2nnn n PRO 54 Cb 0.56 -2.34 0.12 0.00 -0.02 0.00 0.00 33.50 31.82 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 3.89 0.84 -0.26 -0.52 4.15 -1.92 0.34 115.11 121.64 2nnn h GLN 55 Ca -0.45 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 58.76 2nnn h GLN 55 Cb 1.28 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 2nnn h GLN 55 CO 0.73 0.56 -0.49 -0.91 -1.93 0.00 0.00 178.83 176.80 2nnn h ASN 56 N 0.87 0.77 -0.41 -0.69 2.35 -1.90 -2.40 115.58 114.16 2nnn h ASN 56 Ca 0.34 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 2nnn h ASN 56 Cb 0.16 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2nnn h ASN 56 CO -0.17 1.12 0.15 -0.61 -1.65 0.00 0.00 177.43 176.27 2nnn h GLN 57 N 0.56 0.70 -0.58 0.81 4.15 -1.70 0.05 115.11 119.08 2nnn h GLN 57 Ca 0.03 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.26 2nnn h GLN 57 Cb 1.05 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 2nnn h GLN 57 CO 0.10 0.61 0.08 1.25 -1.93 0.00 0.00 178.83 178.94 2nnn h LEU 58 N 0.68 0.90 -0.28 -2.39 5.85 -0.81 -1.82 115.31 117.44 2nnn h LEU 58 Ca 0.16 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2nnn h LEU 58 Cb 0.21 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2nnn h LEU 58 CO -0.01 0.91 0.14 1.23 -0.34 0.00 0.00 178.44 180.37 2nnn h GLY 59 N 1.01 0.43 2.00 3.75 0.00 -0.85 -2.23 103.07 107.18 2nnn h GLY 59 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2nnn h GLY 59 CO 0.01 0.20 0.00 0.54 0.00 0.00 0.00 176.54 177.29 2nnn n ARG 60 N -4.80 0.13 0.00 4.80 1.74 -0.07 -1.56 116.66 116.91 2nnn n ARG 60 Ca -0.02 0.44 0.11 0.00 -0.77 0.00 0.00 57.85 57.60 2nnn n ARG 60 Cb 0.10 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 29.68 2nnn n ARG 60 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2nnn n LEU 61 N -2.05 0.75 -0.42 0.55 4.77 -0.71 -4.39 117.00 115.50 2nnn n LEU 61 Ca 0.02 -0.31 0.07 0.00 -0.03 0.00 0.00 56.01 55.76 2nnn n LEU 61 Cb 0.16 -0.04 0.17 0.00 -2.33 0.00 0.00 43.42 41.38 2nnn n LEU 61 CO 0.15 0.17 0.43 0.35 -1.33 0.00 0.00 177.39 177.16 2nnn n THR 62 N -1.68 1.93 -3.02 -5.08 -2.24 -0.60 -5.09 114.28 98.50 2nnn n THR 62 Ca 0.03 -2.67 -0.05 0.00 -2.27 0.00 0.00 64.05 59.09 2nnn n THR 62 Cb 0.38 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.15 -2.67 -2.65 6.98 0.00 -0.79 -5.00 120.51 115.23 2nnn n ALA 63 Ca 0.17 0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 2nnn n ALA 63 Cb 0.69 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 2nnn n ALA 63 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2nnn s ASP 65 N -1.42 3.62 0.20 0.00 3.84 -1.26 -5.04 116.67 116.61 2nnn s ASP 65 Ca 0.06 -1.56 -0.11 0.00 -0.00 0.00 0.00 52.55 50.94 2nnn s ASP 65 Cb -0.01 0.24 0.16 0.00 -1.38 0.00 0.00 42.92 41.93 2nnn s ASP 65 CO 0.45 -0.75 1.85 0.00 -0.00 0.00 0.00 175.17 176.72 2nnn h ALA 66 N 1.62 0.88 0.61 2.11 0.00 -1.96 -0.54 119.26 121.98 2nnn h ALA 66 Ca -0.42 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2nnn h ALA 66 Cb 1.28 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2nnn h ALA 66 CO 0.72 0.23 -0.29 0.00 0.00 0.00 0.00 179.25 179.90 2nnn h ALA 67 N 1.28 -0.82 -0.45 0.00 0.00 -2.01 -2.46 119.26 114.79 2nnn h ALA 67 Ca 0.26 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2nnn h ALA 67 Cb -0.03 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 2nnn h ALA 67 CO -0.09 -0.88 -0.13 1.15 0.00 0.00 0.00 179.25 179.31 2nnn h THR 68 N -0.99 0.52 -0.58 0.00 2.02 -1.96 -1.19 112.91 110.73 2nnn h THR 68 Ca -0.08 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 2nnn h THR 68 Cb 0.68 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2nnn h THR 68 CO 0.14 0.00 0.12 -0.29 0.37 0.00 0.00 175.52 175.85 2nnn h ILE 69 N -0.02 1.24 -0.72 3.11 6.09 -1.16 -2.57 117.51 123.47 2nnn h ILE 69 Ca 0.22 -0.91 -0.01 0.00 -1.37 0.00 0.00 64.86 62.78 2nnn h ILE 69 Cb 0.35 0.67 -0.03 0.00 0.47 0.00 0.00 36.82 38.27 2nnn h ILE 69 CO -0.47 0.34 0.39 0.50 -3.07 0.00 0.00 178.15 175.84 2nnn h LYS 70 N 0.88 1.00 -0.21 2.19 3.64 -0.75 -1.08 116.57 122.23 2nnn h LYS 70 Ca 0.19 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2nnn h LYS 70 Cb 0.35 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2nnn h LYS 70 CO 0.00 0.74 0.11 0.78 -2.27 0.00 0.00 179.45 178.82 2nnn h GLY 71 N 1.06 0.32 1.73 5.01 0.00 -0.92 0.27 103.07 110.53 2nnn h GLY 71 Ca 0.26 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.29 2nnn h GLY 71 CO -0.04 0.14 -0.60 -0.39 0.00 0.00 0.00 176.54 175.64 2nnn h VAL 72 N 0.23 1.38 -0.40 4.60 -1.51 -1.27 -2.08 116.25 117.19 2nnn h VAL 72 Ca 0.07 -1.97 -0.15 0.00 -1.23 0.00 0.00 66.70 63.42 2nnn h VAL 72 Cb 0.08 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 2nnn h VAL 72 CO -0.01 0.58 -0.34 0.58 -1.23 0.00 0.00 177.57 177.15 2nnn h VAL 73 N 0.21 1.27 -0.12 7.19 2.07 -1.12 -0.27 116.25 125.48 2nnn h VAL 73 Ca -0.01 -1.51 0.04 0.00 0.82 0.00 0.00 66.70 66.04 2nnn h VAL 73 Cb 1.11 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 2nnn h VAL 73 CO 0.10 0.51 -0.11 -0.33 0.02 0.00 0.00 177.57 177.75 2nnn h GLU 74 N 0.77 -0.13 0.00 1.57 5.08 -0.86 -0.53 114.58 120.49 2nnn h GLU 74 Ca 0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2nnn h GLU 74 Cb 0.94 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2nnn h GLU 74 CO 0.09 -0.09 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 2nnn n ARG 75 N -5.25 0.39 -0.03 2.33 1.74 -0.79 -1.91 116.66 113.14 2nnn n ARG 75 Ca -0.03 0.01 -0.07 0.00 -0.77 0.00 0.00 57.85 56.98 2nnn n ARG 75 Cb 0.18 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.98 2nnn n ARG 75 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2nnn n LEU 76 N -1.30 0.61 -0.04 0.55 7.94 -0.12 -3.91 117.00 120.72 2nnn n LEU 76 Ca 0.13 0.29 -0.16 0.00 -1.11 0.00 0.00 56.01 55.16 2nnn n LEU 76 Cb 0.24 0.24 -0.07 0.00 0.53 0.00 0.00 43.42 44.36 2nnn n LEU 76 CO 0.23 0.37 0.39 -0.78 -1.11 0.00 0.00 177.39 176.49 2nnn h ASP 77 N 0.00 0.75 0.62 1.96 3.58 -0.39 -0.86 116.42 122.08 2nnn h ASP 77 Ca -0.33 -0.59 -0.03 0.00 0.42 0.00 0.00 57.03 56.50 2nnn h ASP 77 Cb 1.98 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.80 2nnn h ASP 77 CO 0.06 1.21 -0.14 0.07 -2.88 0.00 0.00 179.24 177.56 2nnn h LYS 78 N 0.33 0.00 -0.00 0.28 2.10 -1.66 0.12 116.57 117.73 2nnn h LYS 78 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2nnn h LYS 78 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2nnn h LYS 78 CO 0.11 0.14 -0.09 0.54 -2.00 0.00 0.00 179.45 178.15 2nnn n ARG 79 N -3.45 0.85 -1.20 0.07 1.74 -1.17 -4.94 116.66 108.55 2nnn n ARG 79 Ca -0.01 -0.30 -0.07 0.00 -0.77 0.00 0.00 57.85 56.70 2nnn n ARG 79 Cb 0.30 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.23 0.92 0.05 -0.13 0.00 0.03 -4.93 105.19 102.36 2nnn n GLY 80 Ca 0.16 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.59 2nnn n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nnn n LEU 81 N -0.80 0.62 -4.23 0.99 4.77 -0.36 -4.14 117.00 113.86 2nnn n LEU 81 Ca -0.07 0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 2nnn n LEU 81 Cb 0.23 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 2nnn n LEU 81 CO 0.11 0.00 -0.43 0.27 -1.33 0.00 0.00 177.39 176.01 2nnn s ILE 82 N -3.23 1.19 -0.02 -0.08 -5.25 -1.23 -1.08 121.20 111.50 2nnn s ILE 82 Ca 0.03 -1.80 0.05 0.00 -0.99 0.00 0.00 60.65 57.95 2nnn s ILE 82 Cb 0.14 -1.57 -0.01 0.00 2.95 0.00 0.00 42.46 43.96 2nnn s ILE 82 CO 0.80 -0.55 -0.18 0.00 -1.79 0.00 0.00 174.94 173.22 2nnn s GLN 83 N -3.01 1.51 -0.13 0.37 -2.07 0.98 -4.72 119.66 112.59 2nnn s GLN 83 Ca 0.10 -0.65 -0.04 0.00 -1.82 0.00 0.00 55.36 52.95 2nnn s GLN 83 Cb -0.02 -1.44 -0.03 0.00 -1.09 0.00 0.00 33.01 30.42 2nnn s GLN 83 CO 0.02 0.38 0.01 1.03 -1.32 0.00 0.00 175.29 175.41 2nnn s ARG 84 N -0.38 3.48 0.09 9.60 0.52 -1.26 -0.74 118.95 130.25 2nnn s ARG 84 Ca 0.06 -0.41 -0.09 0.00 -0.52 0.00 0.00 55.73 54.77 2nnn s ARG 84 Cb -0.07 -2.96 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 2nnn s ARG 84 CO -0.00 0.46 0.19 -1.54 0.02 0.00 0.00 175.30 174.42 2nnn s SER 85 N -0.19 0.12 0.24 0.23 1.04 -0.43 -4.97 113.70 109.74 2nnn s SER 85 Ca 0.06 -0.64 -0.30 0.00 0.48 0.00 0.00 55.95 55.55 2nnn s SER 85 Cb -0.12 0.34 -0.10 0.00 0.10 0.00 0.00 66.02 66.23 2nnn s SER 85 CO 0.02 -0.72 1.40 0.00 0.98 0.00 0.00 173.24 174.92 2nnn s ALA 86 N -3.78 3.60 -0.18 5.32 0.00 -1.26 0.30 121.76 125.75 2nnn s ALA 86 Ca 0.04 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 2nnn s ALA 86 Cb 0.05 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2nnn s ALA 86 CO -0.11 -0.69 1.62 0.34 0.00 0.00 0.00 175.76 176.92 2nnn s ASP 87 N 0.31 6.45 0.58 0.00 -1.08 -0.69 -4.73 116.67 117.51 2nnn s ASP 87 Ca 0.58 1.76 0.35 0.00 -0.52 0.00 0.00 52.55 54.72 2nnn s ASP 87 Cb -0.41 -2.53 1.75 0.00 -1.46 0.00 0.00 42.92 40.28 2nnn s ASP 87 CO 0.43 -1.17 2.15 1.55 0.52 0.00 0.00 175.17 178.64 2nnn h PRO 88 N 10.42 0.00 0.00 4.34 0.13 -1.92 -2.68 132.00 142.28 2nnn h PRO 88 Ca -0.35 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 2nnn h PRO 88 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2nnn h PRO 88 CO 0.99 0.04 -1.37 -0.25 -0.23 0.00 0.00 178.00 177.18 2nnn n ASP 89 N -3.30 0.59 -3.34 1.44 8.00 -1.26 -4.74 116.55 113.94 2nnn n ASP 89 Ca -0.02 0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.59 2nnn n ASP 89 Cb 0.20 0.86 -0.07 0.00 -0.02 0.00 0.00 41.12 42.08 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 -5.18 0.91 0.39 -2.24 2.15 -1.02 -5.04 116.67 106.64 2nnn s ASP 90 Ca -0.03 -0.64 0.28 0.00 0.43 0.00 0.00 52.55 52.58 2nnn s ASP 90 Cb 0.11 0.85 1.33 0.00 -0.30 0.00 0.00 42.92 44.91 2nnn s ASP 90 CO 0.83 -0.36 1.84 1.23 -0.17 0.00 0.00 175.17 178.54 2nnn h GLY 91 N 8.08 0.00 1.45 2.66 0.00 -1.82 0.43 103.07 113.86 2nnn h GLY 91 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.30 2nnn h GLY 91 CO 0.28 0.00 0.22 3.21 0.00 0.00 0.00 176.54 180.25 2nnn h ARG 92 N 0.00 0.00 -6.19 4.80 3.08 -1.96 -3.45 114.38 110.65 2nnn h ARG 92 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2nnn h ARG 92 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 2nnn h ARG 92 CO 0.00 0.00 -0.56 1.03 -1.07 0.00 0.00 179.97 179.37 2nnn s ARG 93 N -4.65 2.71 -0.08 0.04 0.52 0.14 -5.05 118.95 112.57 2nnn s ARG 93 Ca -0.05 -1.19 0.04 0.00 -0.52 0.00 0.00 55.73 54.01 2nnn s ARG 93 Cb 0.15 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 2nnn s ARG 93 CO 0.55 0.36 -0.22 -1.17 0.02 0.00 0.00 175.30 174.84 2nnn s LEU 94 N -3.80 2.22 -0.19 2.53 2.96 -1.26 -1.71 118.68 119.42 2nnn s LEU 94 Ca 0.33 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 2nnn s LEU 94 Cb -0.07 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2nnn s LEU 94 CO 0.23 0.21 0.06 -0.76 -1.32 0.00 0.00 176.35 174.77 2nnn s LEU 95 N 0.06 3.74 -0.10 -0.68 1.02 0.15 -3.18 118.68 119.69 2nnn s LEU 95 Ca -0.09 0.04 -0.12 0.00 0.02 0.00 0.00 54.13 53.98 2nnn s LEU 95 Cb -0.15 -1.95 -0.05 0.00 0.02 0.00 0.00 46.19 44.06 2nnn s LEU 95 CO 0.06 0.15 0.27 -0.69 0.02 0.00 0.00 176.35 176.16 2nnn s VAL 96 N 0.50 5.29 0.03 -1.59 1.01 0.13 -1.32 120.40 124.45 2nnn s VAL 96 Ca 0.03 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 2nnn s VAL 96 Cb -0.13 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2nnn s VAL 96 CO 0.01 0.51 0.06 -0.55 0.00 0.00 0.00 175.10 175.13 2nnn s SER 97 N -0.41 0.21 0.13 3.32 0.15 0.08 -1.25 113.70 115.93 2nnn s SER 97 Ca 0.18 -0.54 -0.30 0.00 0.70 0.00 0.00 55.95 55.99 2nnn s SER 97 Cb -0.14 0.19 -0.06 0.00 -1.71 0.00 0.00 66.02 64.30 2nnn s SER 97 CO 0.06 -0.46 0.98 -0.22 1.20 0.00 0.00 173.24 174.81 2nnn s LEU 98 N -1.98 4.51 0.91 3.45 2.96 -1.26 -0.01 118.68 127.25 2nnn s LEU 98 Ca -0.07 1.85 -0.11 0.00 -0.22 0.00 0.00 54.13 55.58 2nnn s LEU 98 Cb -0.03 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.21 2nnn s LEU 98 CO -0.04 -0.07 1.10 -0.44 -1.32 0.00 0.00 176.35 175.59 2nnn s SER 99 N -0.13 3.20 0.28 3.68 0.01 -0.24 -4.73 113.70 115.78 2nnn s SER 99 Ca 0.47 1.80 -0.00 0.00 1.31 0.00 0.00 55.95 59.52 2nnn s SER 99 Cb -0.24 -2.40 0.49 0.00 0.21 0.00 0.00 66.02 64.07 2nnn s SER 99 CO 0.31 -2.86 1.89 -0.65 0.41 0.00 0.00 173.24 172.34 2nnn h PRO 100 N -1.70 1.05 0.01 12.44 0.11 -1.89 0.97 132.00 142.99 2nnn h PRO 100 Ca -0.48 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2nnn h PRO 100 Cb 1.27 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2nnn h PRO 100 CO 0.49 0.70 -0.01 0.00 -0.21 0.00 0.00 178.00 178.97 2nnn h ALA 101 N 1.49 -0.02 -0.95 -0.75 0.00 -1.90 -2.17 119.26 114.96 2nnn h ALA 101 Ca 0.43 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.34 2nnn h ALA 101 Cb 0.25 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2nnn h ALA 101 CO -0.18 -0.40 0.59 0.78 0.00 0.00 0.00 179.25 180.03 2nnn h GLY 102 N -0.22 1.52 2.00 0.00 0.00 -1.61 0.60 103.07 105.36 2nnn h GLY 102 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 2nnn h GLY 102 CO 0.00 0.17 -0.39 0.07 0.00 0.00 0.00 176.54 176.40 2nnn h ARG 103 N 0.95 0.00 -0.13 4.80 0.11 -0.74 -1.89 114.38 117.48 2nnn h ARG 103 Ca 0.46 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.33 2nnn h ARG 103 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2nnn h ARG 103 CO -0.25 0.39 -0.74 0.00 0.10 0.00 0.00 179.97 179.46 2nnn h ALA 104 N 1.61 0.43 -0.75 0.08 0.00 -0.98 -2.45 119.26 117.21 2nnn h ALA 104 Ca -0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2nnn h ALA 104 Cb 1.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2nnn h ALA 104 CO 0.05 0.71 0.28 1.49 0.00 0.00 0.00 179.25 181.79 2nnn h GLU 105 N 0.45 1.13 -0.23 0.00 4.57 -0.79 0.85 114.58 120.57 2nnn h GLU 105 Ca -0.04 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 2nnn h GLU 105 Cb 1.35 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2nnn h GLU 105 CO 0.14 0.93 0.10 1.25 -1.18 0.00 0.00 179.01 180.25 2nnn h LEU 106 N 1.10 0.31 -1.19 1.64 5.85 -1.37 -1.77 115.31 119.86 2nnn h LEU 106 Ca 0.25 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2nnn h LEU 106 Cb 0.23 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2nnn h LEU 106 CO -0.02 0.38 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.88 2nnn h GLU 107 N 0.22 0.24 0.00 1.25 4.39 -1.20 -2.58 114.58 116.90 2nnn h GLU 107 Ca 0.08 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2nnn h GLU 107 Cb 0.16 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2nnn h GLU 107 CO -0.01 0.49 -0.18 0.00 -1.16 0.00 0.00 179.01 178.15 2nnn h ALA 108 N 1.52 0.94 0.00 3.43 0.00 -0.74 -3.32 119.26 121.10 2nnn h ALA 108 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2nnn h ALA 108 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2nnn h ALA 108 CO 0.04 0.23 -1.51 0.41 0.00 0.00 0.00 179.25 178.42 2nnn n GLY 109 N 0.62 -1.15 0.36 0.00 0.00 -0.68 -4.49 105.19 99.85 2nnn n GLY 109 Ca 0.02 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 0.95 -0.33 0.99 3.38 -1.57 -0.66 115.31 118.07 2nnn h LEU 110 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2nnn h LEU 110 Cb 0.91 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2nnn h LEU 110 CO 0.00 0.55 0.21 0.00 0.09 0.00 0.00 178.44 179.29 2nnn h ALA 111 N 1.50 0.42 -0.49 1.53 0.00 -1.82 -1.40 119.26 118.99 2nnn h ALA 111 Ca 0.46 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 2nnn h ALA 111 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2nnn h ALA 111 CO -0.23 -0.09 -0.11 0.00 0.00 0.00 0.00 179.25 178.83 2nnn h ALA 112 N 1.09 0.88 -0.42 0.00 0.00 -1.67 -2.07 119.26 117.07 2nnn h ALA 112 Ca 0.12 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2nnn h ALA 112 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2nnn h ALA 112 CO -0.02 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.85 2nnn h ALA 113 N 1.05 1.18 -0.21 0.00 0.00 -0.96 -1.20 119.26 119.12 2nnn h ALA 113 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2nnn h ALA 113 Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2nnn h ALA 113 CO 0.04 0.53 -0.07 0.00 0.00 0.00 0.00 179.25 179.75 2nnn h ARG 114 N 0.65 0.42 -0.35 0.00 3.08 -1.16 -2.78 114.38 114.23 2nnn h ARG 114 Ca 0.13 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2nnn h ARG 114 Cb 0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2nnn h ARG 114 CO 0.02 0.68 0.20 1.49 -1.07 0.00 0.00 179.97 181.29 2nnn h GLU 115 N 0.14 0.40 -0.66 0.04 4.57 -1.06 0.10 114.58 118.12 2nnn h GLU 115 Ca 0.05 -0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.33 2nnn h GLU 115 Cb 0.54 -0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 28.95 2nnn h GLU 115 CO 0.02 0.27 0.18 0.82 -1.18 0.00 0.00 179.01 179.12 2nnn h ILE 116 N 0.41 0.63 -0.42 2.32 2.04 -1.30 -0.84 117.51 120.35 2nnn h ILE 116 Ca 0.14 -0.11 -0.15 0.00 1.00 0.00 0.00 64.86 65.75 2nnn h ILE 116 Cb 0.01 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2nnn h ILE 116 CO -0.07 0.06 -0.31 0.78 0.00 0.00 0.00 178.15 178.60 2nnn h ASN 117 N 0.31 0.98 -0.37 1.72 2.35 -0.87 0.43 115.58 120.14 2nnn h ASN 117 Ca 0.35 -0.42 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 2nnn h ASN 117 Cb 0.54 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2nnn h ASN 117 CO -0.42 1.21 0.02 0.03 -1.65 0.00 0.00 177.43 176.62 2nnn h ARG 118 N 0.79 0.72 0.01 0.81 3.08 -0.65 -2.52 114.38 116.62 2nnn h ARG 118 Ca 0.08 -0.17 -0.21 0.00 0.07 0.00 0.00 59.98 59.74 2nnn h ARG 118 Cb 0.89 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 2nnn h ARG 118 CO 0.08 0.72 -1.00 0.37 -1.07 0.00 0.00 179.97 179.07 2nnn h GLN 119 N 0.69 0.03 -0.66 0.04 4.15 -0.90 -0.98 115.11 117.47 2nnn h GLN 119 Ca 0.14 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 2nnn h GLN 119 Cb 0.39 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2nnn h GLN 119 CO 0.01 1.00 0.09 0.00 -1.93 0.00 0.00 178.83 178.00 2nnn h ALA 120 N 0.97 0.89 -0.16 3.38 0.00 -0.10 -3.19 119.26 121.06 2nnn h ALA 120 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2nnn h ALA 120 Cb 1.76 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2nnn h ALA 120 CO 0.14 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.34 2nnn n LEU 121 N -4.20 1.96 -0.31 0.00 4.77 -0.95 -4.60 117.00 113.66 2nnn n LEU 121 Ca 0.04 -0.79 0.07 0.00 -0.03 0.00 0.00 56.01 55.31 2nnn n LEU 121 Cb 0.31 -0.10 0.23 0.00 -2.33 0.00 0.00 43.42 41.53 2nnn n LEU 121 CO 0.43 0.39 1.14 0.00 -1.33 0.00 0.00 177.39 178.03 2nnn h ALA 122 N 4.21 1.36 0.00 -1.18 0.00 -1.16 -1.97 119.26 120.52 2nnn h ALA 122 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2nnn h ALA 122 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2nnn h ALA 122 CO 0.00 -0.01 0.00 -2.30 0.00 0.00 0.00 179.25 176.94 2nnn n PRO 123 N -4.80 0.01 -5.13 0.00 -0.02 -1.26 -4.66 135.00 119.14 2nnn n PRO 123 Ca 0.18 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 2nnn n PRO 123 Cb 0.42 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 2nnn n PRO 123 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nnn s LEU 124 N -2.71 2.34 1.00 2.45 1.02 -0.74 -5.13 118.68 116.90 2nnn s LEU 124 Ca 0.01 -0.36 -0.12 0.00 0.02 0.00 0.00 54.13 53.68 2nnn s LEU 124 Cb 0.01 -1.43 0.19 0.00 0.02 0.00 0.00 46.19 44.98 2nnn s LEU 124 CO 0.01 0.33 1.08 -0.94 0.02 0.00 0.00 176.35 176.85 2nnn s SER 125 N -0.67 2.49 0.22 2.29 1.04 -1.26 -4.80 113.70 113.01 2nnn s SER 125 Ca 0.11 1.55 -0.08 0.00 0.48 0.00 0.00 55.95 58.01 2nnn s SER 125 Cb -0.10 -2.22 0.23 0.00 0.10 0.00 0.00 66.02 64.03 2nnn s SER 125 CO -0.00 -3.26 1.87 -0.07 0.98 0.00 0.00 173.24 172.75 2nnn h LEU 126 N -1.98 0.83 -0.29 2.42 3.38 -1.97 -2.31 115.31 115.39 2nnn h LEU 126 Ca -0.53 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 2nnn h LEU 126 Cb 1.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2nnn h LEU 126 CO 0.52 0.58 -0.01 1.56 0.09 0.00 0.00 178.44 181.18 2nnn h GLN 127 N 0.98 0.52 -0.72 1.13 4.20 -2.01 -3.00 115.11 116.22 2nnn h GLN 127 Ca 0.32 -0.17 0.18 0.00 0.06 0.00 0.00 58.65 59.04 2nnn h GLN 127 Cb 0.01 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 2nnn h GLN 127 CO -0.11 0.68 0.50 0.93 -0.67 0.00 0.00 178.83 180.16 2nnn h GLU 128 N 0.31 0.15 0.03 1.46 5.08 -1.83 -1.37 114.58 118.42 2nnn h GLU 128 Ca 0.08 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.21 2nnn h GLU 128 Cb 0.45 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2nnn h GLU 128 CO 0.02 0.10 -0.98 1.96 -1.00 0.00 0.00 179.01 179.11 2nnn h GLN 129 N 0.16 0.25 -0.41 2.33 4.20 -1.29 -0.95 115.11 119.40 2nnn h GLN 129 Ca 0.35 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2nnn h GLN 129 Cb 1.15 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2nnn h GLN 129 CO -0.06 1.05 0.06 1.49 -0.67 0.00 0.00 178.83 180.71 2nnn h GLU 130 N 0.12 0.68 -0.46 1.46 4.57 -1.18 -0.78 114.58 119.00 2nnn h GLU 130 Ca -0.07 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 2nnn h GLU 130 Cb 1.64 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 30.13 2nnn h GLU 130 CO 0.16 0.72 0.24 1.15 -1.18 0.00 0.00 179.01 180.10 2nnn h THR 131 N 0.53 1.17 0.00 0.32 2.02 -1.29 -2.58 112.91 113.08 2nnn h THR 131 Ca 0.12 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2nnn h THR 131 Cb 0.38 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2nnn h THR 131 CO 0.01 0.18 -0.00 0.25 0.37 0.00 0.00 175.52 176.33 2nnn h LEU 132 N 0.60 -0.00 -0.98 2.58 5.85 -1.08 -2.40 115.31 119.88 2nnn h LEU 132 Ca 0.16 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2nnn h LEU 132 Cb 0.08 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 2nnn h LEU 132 CO -0.02 0.22 0.64 -0.09 -0.34 0.00 0.00 178.44 178.84 2nnn h ARG 133 N -0.22 1.19 0.25 1.25 2.43 -1.12 0.24 114.38 118.40 2nnn h ARG 133 Ca -0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2nnn h ARG 133 Cb 0.22 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2nnn h ARG 133 CO 0.00 0.79 -0.12 0.78 -1.51 0.00 0.00 179.97 179.91 2nnn h GLY 134 N 1.23 -0.35 1.00 2.80 0.00 -1.43 -0.59 103.07 105.73 2nnn h GLY 134 Ca 0.39 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2nnn h GLY 134 CO -0.13 -0.13 0.26 1.41 0.00 0.00 0.00 176.54 177.95 2nnn h LEU 135 N -0.53 0.47 -0.92 3.11 4.07 -1.17 -2.89 115.31 117.45 2nnn h LEU 135 Ca -0.03 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.79 2nnn h LEU 135 Cb 0.39 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2nnn h LEU 135 CO 0.06 0.36 -0.49 0.25 -1.08 0.00 0.00 178.44 177.53 2nnn h LEU 136 N 0.54 0.00 -1.73 1.67 5.85 -0.53 -2.28 115.31 118.82 2nnn h LEU 136 Ca 0.15 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2nnn h LEU 136 Cb -0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2nnn h LEU 136 CO -0.03 0.49 -0.17 0.00 -0.34 0.00 0.00 178.44 178.39 2nnn h ALA 137 N 1.51 1.45 -0.04 1.25 0.00 -0.90 -2.00 119.26 120.52 2nnn h ALA 137 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2nnn h ALA 137 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2nnn h ALA 137 CO 0.06 0.22 0.00 0.54 0.00 0.00 0.00 179.25 180.07 2nnn n ARG 138 N -3.94 1.22 -0.02 0.00 1.74 -0.86 -3.14 116.66 111.65 2nnn n ARG 138 Ca -0.02 -0.32 0.02 0.00 -0.77 0.00 0.00 57.85 56.75 2nnn n ARG 138 Cb 0.26 -1.35 0.03 0.00 -1.02 0.00 0.00 32.46 30.38 2nnn n ARG 138 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2nnn n LEU 139 N -0.49 1.67 0.00 0.55 4.77 -0.76 -5.12 117.00 117.63 2nnn n LEU 139 Ca 0.16 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 2nnn n LEU 139 Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2nnn n LEU 139 CO 0.12 0.40 0.07 -0.38 -1.33 0.00 0.00 177.39 176.27