#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i13 h GLU 6 N 0.00 0.00 -0.00 -0.72 9.09 -2.04 -2.20 114.58 118.71 1i13 h GLU 6 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1i13 h GLU 6 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1i13 h GLU 6 CO 0.00 0.23 -0.05 1.97 0.05 0.00 0.00 179.01 181.20 1i13 n PHE 7 N -3.93 0.00 -4.18 2.06 1.16 -1.26 -4.83 117.46 106.48 1i13 n PHE 7 Ca -0.02 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.22 1i13 n PHE 7 Cb 0.31 -0.31 -0.08 0.00 -1.61 0.00 0.00 39.48 37.80 1i13 n PHE 7 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1i13 s ALA 8 N -2.66 3.50 -0.66 1.98 0.00 -0.83 -1.41 121.76 121.68 1i13 s ALA 8 Ca 0.25 -0.83 0.22 0.00 0.00 0.00 0.00 51.96 51.60 1i13 s ALA 8 Cb 0.20 -1.57 -0.10 0.00 0.00 0.00 0.00 23.12 21.64 1i13 s ALA 8 CO 0.49 0.65 0.89 -0.85 0.00 0.00 0.00 175.76 176.94 1i13 n GLU 9 N 1.61 0.24 -3.56 0.00 0.28 0.04 -4.74 120.64 114.51 1i13 n GLU 9 Ca -0.16 -0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 56.68 1i13 n GLU 9 Cb 0.53 -1.54 -0.05 0.00 1.43 0.00 0.00 31.44 31.81 1i13 n GLU 9 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1i13 s LYS 10 N -3.18 0.70 -0.19 3.44 2.20 -1.24 -5.01 119.74 116.47 1i13 s LYS 10 Ca 0.03 0.12 -0.14 0.00 -0.36 0.00 0.00 55.97 55.63 1i13 s LYS 10 Cb 0.15 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 1i13 s LYS 10 CO 0.84 -0.23 0.29 0.42 -0.36 0.00 0.00 175.35 176.31 1i13 s ILE 11 N -1.32 5.29 -0.19 5.43 -1.09 -1.26 -0.90 121.20 127.15 1i13 s ILE 11 Ca -0.03 0.51 -0.15 0.00 -2.23 0.00 0.00 60.65 58.75 1i13 s ILE 11 Cb -0.00 -3.63 -0.09 0.00 -1.58 0.00 0.00 42.46 37.16 1i13 s ILE 11 CO 0.02 0.34 -0.19 0.18 -1.23 0.00 0.00 174.94 174.07 1i13 n LEU 12 N 3.96 1.88 -3.88 2.97 4.77 0.03 -4.95 117.00 121.80 1i13 n LEU 12 Ca -0.12 0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1i13 n LEU 12 Cb 0.52 -0.84 -0.14 0.00 -2.33 0.00 0.00 43.42 40.63 1i13 n LEU 12 CO 0.39 -0.08 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.65 1i13 s PHE 13 N -2.51 0.02 0.54 -1.77 0.40 -0.94 -5.01 117.98 108.71 1i13 s PHE 13 Ca -0.26 -0.04 -0.05 0.00 -0.60 0.00 0.00 56.93 55.98 1i13 s PHE 13 Cb 0.06 -0.01 -0.00 0.00 0.51 0.00 0.00 43.02 43.57 1i13 s PHE 13 CO 0.40 -0.01 0.84 0.95 0.70 0.00 0.00 175.22 178.10 1i13 s THR 14 N -0.10 3.99 0.30 0.64 -4.23 -1.26 -1.38 115.64 113.61 1i13 s THR 14 Ca -0.01 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1i13 s THR 14 Cb -0.01 -3.55 0.30 0.00 1.34 0.00 0.00 72.50 70.58 1i13 s THR 14 CO -0.00 -0.53 1.84 -0.08 -0.54 0.00 0.00 174.62 175.30 1i13 h GLU 15 N 0.00 0.87 -0.19 3.99 4.81 -1.95 -1.80 114.58 120.32 1i13 h GLU 15 Ca -0.46 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 1i13 h GLU 15 Cb 1.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1i13 h GLU 15 CO 0.60 0.58 -0.43 1.05 -0.73 0.00 0.00 179.01 180.08 1i13 h GLU 16 N 0.90 0.45 -0.40 1.92 9.09 -1.93 -0.62 114.58 123.98 1i13 h GLU 16 Ca 0.50 -0.24 -0.07 0.00 0.05 0.00 0.00 59.36 59.60 1i13 h GLU 16 Cb 0.60 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.69 1i13 h GLU 16 CO -0.27 0.80 -0.01 0.93 0.05 0.00 0.00 179.01 180.52 1i13 h GLU 17 N 0.37 0.72 -0.17 1.06 5.08 -1.74 -2.22 114.58 117.69 1i13 h GLU 17 Ca 0.03 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1i13 h GLU 17 Cb 0.91 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1i13 h GLU 17 CO 0.08 0.81 0.08 0.82 -1.00 0.00 0.00 179.01 179.80 1i13 h ILE 18 N 0.55 1.12 -0.48 3.13 2.04 -1.21 -1.66 117.51 120.99 1i13 h ILE 18 Ca 0.11 -0.33 0.09 0.00 1.00 0.00 0.00 64.86 65.73 1i13 h ILE 18 Cb 0.49 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.53 1i13 h ILE 18 CO 0.02 0.11 0.01 -0.09 0.00 0.00 0.00 178.15 178.20 1i13 h ARG 19 N 0.15 0.12 0.24 2.37 2.43 -1.03 -1.01 114.38 117.65 1i13 h ARG 19 Ca 0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1i13 h ARG 19 Cb 0.10 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1i13 h ARG 19 CO -0.01 0.08 -0.11 1.15 -1.51 0.00 0.00 179.97 179.57 1i13 h THR 20 N 0.13 0.80 -0.99 0.20 2.02 -1.16 -2.53 112.91 111.38 1i13 h THR 20 Ca 0.24 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1i13 h THR 20 Cb 0.35 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 1i13 h THR 20 CO -0.39 0.04 0.65 0.03 0.37 0.00 0.00 175.52 176.22 1i13 h ARG 21 N -0.40 1.23 -0.89 6.66 3.08 -1.02 -1.51 114.38 121.53 1i13 h ARG 21 Ca -0.03 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1i13 h ARG 21 Cb 0.30 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1i13 h ARG 21 CO 0.05 0.81 0.51 0.82 -1.07 0.00 0.00 179.97 181.10 1i13 h ILE 22 N 1.27 1.25 -0.76 2.04 2.04 -1.12 -1.58 117.51 120.65 1i13 h ILE 22 Ca 0.39 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1i13 h ILE 22 Cb -0.03 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1i13 h ILE 22 CO -0.11 0.27 0.31 0.11 0.00 0.00 0.00 178.15 178.74 1i13 h LYS 23 N 1.23 1.12 -0.50 2.37 1.57 -0.85 0.30 116.57 121.82 1i13 h LYS 23 Ca 0.32 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1i13 h LYS 23 Cb -0.01 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1i13 h LYS 23 CO -0.05 0.90 0.15 0.93 -0.57 0.00 0.00 179.45 180.80 1i13 h GLU 24 N 1.10 0.78 -0.50 3.15 5.08 -1.00 -0.27 114.58 122.93 1i13 h GLU 24 Ca 0.26 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1i13 h GLU 24 Cb 0.19 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1i13 h GLU 24 CO -0.02 0.74 0.07 0.28 -1.00 0.00 0.00 179.01 179.07 1i13 h VAL 25 N 0.68 1.25 -0.71 3.13 2.07 -0.99 -1.98 116.25 119.70 1i13 h VAL 25 Ca 0.16 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1i13 h VAL 25 Cb 0.29 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1i13 h VAL 25 CO -0.00 0.34 0.27 0.00 0.02 0.00 0.00 177.57 178.20 1i13 h ALA 26 N 0.97 1.14 -0.79 1.67 0.00 -0.70 0.76 119.26 122.31 1i13 h ALA 26 Ca 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1i13 h ALA 26 Cb 0.41 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1i13 h ALA 26 CO 0.01 0.61 0.36 1.57 0.00 0.00 0.00 179.25 181.80 1i13 h LYS 27 N 1.03 1.15 -0.10 0.00 2.10 -0.78 -0.71 116.57 119.26 1i13 h LYS 27 Ca 0.24 -0.18 -0.02 0.00 -2.00 0.00 0.00 60.65 58.68 1i13 h LYS 27 Cb 0.21 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1i13 h LYS 27 CO -0.02 0.91 -0.02 0.00 -2.00 0.00 0.00 179.45 178.32 1i13 h ARG 28 N 1.13 0.18 -0.59 0.07 3.08 -0.59 -1.21 114.38 116.45 1i13 h ARG 28 Ca 0.27 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.32 1i13 h ARG 28 Cb 0.15 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 1i13 h ARG 28 CO -0.03 0.48 0.28 0.82 -1.07 0.00 0.00 179.97 180.45 1i13 h ILE 29 N -0.13 0.88 -0.61 2.04 2.04 -0.76 0.13 117.51 121.10 1i13 h ILE 29 Ca 0.03 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1i13 h ILE 29 Cb 0.41 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1i13 h ILE 29 CO 0.01 0.09 0.36 0.00 0.00 0.00 0.00 178.15 178.61 1i13 h ALA 30 N 1.35 0.80 -0.41 1.87 0.00 -0.89 -0.46 119.26 121.53 1i13 h ALA 30 Ca 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1i13 h ALA 30 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1i13 h ALA 30 CO -0.23 0.08 0.03 -0.44 0.00 0.00 0.00 179.25 178.70 1i13 h ASP 31 N 0.70 0.67 0.55 0.00 3.45 -0.28 -0.89 116.42 120.63 1i13 h ASP 31 Ca 0.25 -0.28 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1i13 h ASP 31 Cb 0.07 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 1i13 h ASP 31 CO -0.12 0.79 0.00 0.44 -1.57 0.00 0.00 179.24 178.78 1i13 h ASP 32 N 0.53 0.00 -0.01 6.45 3.32 -0.10 -2.21 116.42 124.40 1i13 h ASP 32 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1i13 h ASP 32 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1i13 h ASP 32 CO 0.01 0.00 -0.17 -1.22 -1.72 0.00 0.00 179.24 176.14 1i13 n TYR 33 N -2.92 0.00 0.20 4.55 4.02 -0.24 -4.59 117.16 118.18 1i13 n TYR 33 Ca -0.01 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.06 1i13 n TYR 33 Cb 0.19 0.00 0.76 0.00 -0.02 0.00 0.00 39.34 40.27 1i13 n TYR 33 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1i13 h LYS 34 N 2.19 0.00 -0.40 -0.72 1.57 -0.50 0.23 116.57 118.94 1i13 h LYS 34 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1i13 h LYS 34 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1i13 h LYS 34 CO 0.00 0.00 0.03 0.41 -0.57 0.00 0.00 179.45 179.32 1i13 n GLY 35 N -1.37 3.88 0.65 3.86 0.00 -1.26 -4.39 105.19 106.55 1i13 n GLY 35 Ca 0.03 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 45.13 1i13 n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i13 n LYS 36 N -0.31 1.58 -2.83 1.61 4.76 0.80 -4.98 118.16 118.79 1i13 n LYS 36 Ca 0.26 -1.30 -0.21 0.00 -2.87 0.00 0.00 58.31 54.19 1i13 n LYS 36 Cb 1.04 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 32.77 1i13 n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i13 n GLY 37 N 1.39 -0.51 3.74 0.72 0.00 -1.26 -4.93 105.19 104.34 1i13 n GLY 37 Ca 0.11 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1i13 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i13 s LEU 38 N -6.41 4.36 -0.01 0.99 1.43 -1.26 -4.87 118.68 112.92 1i13 s LEU 38 Ca 0.20 2.83 -0.11 0.00 -1.03 0.00 0.00 54.13 56.03 1i13 s LEU 38 Cb -0.09 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1i13 s LEU 38 CO 0.25 -0.88 0.21 -0.13 0.23 0.00 0.00 176.35 176.03 1i13 s ARG 39 N 0.17 0.56 0.85 1.70 1.81 0.63 -4.82 118.95 119.85 1i13 s ARG 39 Ca 0.66 -0.30 -0.10 0.00 -1.72 0.00 0.00 55.73 54.27 1i13 s ARG 39 Cb -0.47 0.24 0.11 0.00 -0.45 0.00 0.00 34.95 34.38 1i13 s ARG 39 CO 0.41 -0.14 1.13 -1.25 -0.68 0.00 0.00 175.30 174.76 1i13 s PRO 40 N -1.34 1.53 0.00 3.54 0.04 -1.26 -0.86 135.00 136.66 1i13 s PRO 40 Ca -0.14 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1i13 s PRO 40 Cb -0.06 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1i13 s PRO 40 CO 0.03 -2.23 0.00 0.66 0.04 0.00 0.00 177.00 175.50 1i13 n TYR 41 N -3.89 0.00 0.03 0.56 4.02 -1.26 -4.13 117.16 112.50 1i13 n TYR 41 Ca 0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.78 1i13 n TYR 41 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 1i13 n TYR 41 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1i13 h VAL 42 N 0.00 0.83 -2.01 -0.72 -1.51 -2.02 -3.43 116.25 107.39 1i13 h VAL 42 Ca 0.00 -2.42 -0.48 0.00 -1.23 0.00 0.00 66.70 62.56 1i13 h VAL 42 Cb 0.00 2.65 -0.40 0.00 -2.13 0.00 0.00 31.29 31.41 1i13 h VAL 42 CO 0.00 0.84 -1.17 -3.20 -1.23 0.00 0.00 177.57 172.80 1i13 n ASN 43 N -3.63 1.01 -4.90 4.19 5.15 -0.04 -4.97 115.26 112.07 1i13 n ASN 43 Ca -0.28 -3.04 -0.28 0.00 -0.60 0.00 0.00 54.58 50.38 1i13 n ASN 43 Cb 1.03 -0.62 0.02 0.00 -0.53 0.00 0.00 39.78 39.69 1i13 n ASN 43 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1i13 s PRO 44 N -2.48 3.12 -0.28 1.20 0.04 -0.49 -0.27 135.00 135.84 1i13 s PRO 44 Ca 0.40 0.22 -0.27 0.00 0.04 0.00 0.00 61.00 61.39 1i13 s PRO 44 Cb 0.35 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1i13 s PRO 44 CO -0.08 -0.65 0.96 -1.17 0.04 0.00 0.00 177.00 176.11 1i13 s LEU 45 N -5.03 4.03 -0.31 -3.56 2.96 -0.13 -4.40 118.68 112.23 1i13 s LEU 45 Ca 0.53 1.04 -0.25 0.00 -0.22 0.00 0.00 54.13 55.24 1i13 s LEU 45 Cb -0.11 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1i13 s LEU 45 CO 0.47 -0.71 0.85 -0.69 -1.32 0.00 0.00 176.35 174.95 1i13 s VAL 46 N 3.26 4.73 -0.34 1.68 1.01 -0.13 -1.03 120.40 129.57 1i13 s VAL 46 Ca 0.41 1.29 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 1i13 s VAL 46 Cb -0.14 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1i13 s VAL 46 CO 0.11 -0.31 0.43 -0.76 0.00 0.00 0.00 175.10 174.57 1i13 s LEU 47 N 3.12 4.37 -0.57 3.92 1.43 0.42 -0.41 118.68 130.96 1i13 s LEU 47 Ca 0.35 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 1i13 s LEU 47 Cb -0.14 -2.45 0.12 0.00 0.03 0.00 0.00 46.19 43.75 1i13 s LEU 47 CO 0.13 -0.39 0.60 -0.63 0.23 0.00 0.00 176.35 176.29 1i13 s ILE 48 N 2.18 5.05 -0.26 -0.59 1.01 0.26 -0.67 121.20 128.19 1i13 s ILE 48 Ca 0.15 -1.32 -0.25 0.00 0.00 0.00 0.00 60.65 59.23 1i13 s ILE 48 Cb -0.16 -4.41 -0.00 0.00 0.01 0.00 0.00 42.46 37.90 1i13 s ILE 48 CO 0.12 -0.99 0.85 -0.55 0.00 0.00 0.00 174.94 174.37 1i13 s SER 49 N 3.57 6.81 -0.42 3.58 0.15 0.49 -0.01 113.70 127.87 1i13 s SER 49 Ca 0.07 0.97 -0.24 0.00 0.70 0.00 0.00 55.95 57.45 1i13 s SER 49 Cb -0.27 -2.44 0.02 0.00 -1.71 0.00 0.00 66.02 61.62 1i13 s SER 49 CO 0.04 -0.57 0.85 -0.69 1.20 0.00 0.00 173.24 174.07 1i13 s VAL 50 N 2.94 4.61 0.71 4.45 1.01 -0.88 -1.21 120.40 132.03 1i13 s VAL 50 Ca 0.35 0.74 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 1i13 s VAL 50 Cb -0.15 -4.33 0.03 0.00 0.00 0.00 0.00 36.38 31.93 1i13 s VAL 50 CO 0.09 -0.66 1.13 -0.76 0.00 0.00 0.00 175.10 174.90 1i13 s LEU 51 N 3.41 3.28 -0.20 3.92 1.43 -0.10 -3.07 118.68 127.35 1i13 s LEU 51 Ca 0.34 2.06 0.14 0.00 -1.03 0.00 0.00 54.13 55.64 1i13 s LEU 51 Cb -0.12 -4.56 -0.22 0.00 0.03 0.00 0.00 46.19 41.32 1i13 s LEU 51 CO 0.22 -1.93 0.02 0.29 0.23 0.00 0.00 176.35 175.17 1i13 n LYS 52 N -2.78 0.82 -0.35 1.70 5.02 -1.26 -4.72 118.16 116.59 1i13 n LYS 52 Ca 0.11 0.02 0.26 0.00 -2.02 0.00 0.00 58.31 56.68 1i13 n LYS 52 Cb 0.52 -1.49 0.54 0.00 -0.02 0.00 0.00 35.03 34.58 1i13 n LYS 52 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1i13 h GLY 53 N 3.45 1.28 0.40 0.72 0.00 -1.74 -1.96 103.07 105.22 1i13 h GLY 53 Ca -0.53 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1i13 h GLY 53 CO 0.01 -0.22 0.00 -1.14 0.00 0.00 0.00 176.54 175.19 1i13 n SER 54 N -4.66 0.59 -0.32 0.19 3.41 -1.17 -4.10 113.62 107.55 1i13 n SER 54 Ca 0.29 -1.22 0.05 0.00 -0.26 0.00 0.00 58.87 57.72 1i13 n SER 54 Cb 1.02 -0.00 0.24 0.00 -0.26 0.00 0.00 64.21 65.21 1i13 n SER 54 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1i13 h PHE 55 N 0.92 1.07 -0.05 7.33 -5.15 -1.60 0.28 116.94 119.75 1i13 h PHE 55 Ca 0.00 0.03 -0.13 0.00 -0.20 0.00 0.00 57.97 57.67 1i13 h PHE 55 Cb 0.20 -0.35 0.01 0.00 0.22 0.00 0.00 35.95 36.02 1i13 h PHE 55 CO 0.00 0.53 -0.47 1.98 -2.00 0.00 0.00 178.31 178.36 1i13 h MET 56 N 1.03 0.41 -0.85 6.09 4.05 -1.82 -2.17 114.93 121.66 1i13 h MET 56 Ca 0.42 -0.37 0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1i13 h MET 56 Cb 0.26 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1i13 h MET 56 CO -0.17 1.02 0.56 0.35 0.23 0.00 0.00 176.91 178.90 1i13 h PHE 57 N -0.08 1.05 -0.52 1.39 3.57 -1.69 -2.60 116.94 118.06 1i13 h PHE 57 Ca -0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1i13 h PHE 57 Cb 1.15 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1i13 h PHE 57 CO 0.13 0.64 0.27 1.15 -2.23 0.00 0.00 178.31 178.27 1i13 h THR 58 N 1.12 1.19 -0.39 4.41 2.02 -0.44 0.81 112.91 121.63 1i13 h THR 58 Ca 0.32 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 67.02 1i13 h THR 58 Cb -0.07 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1i13 h THR 58 CO -0.09 0.21 0.22 0.00 0.37 0.00 0.00 175.52 176.22 1i13 h ALA 59 N 1.11 0.49 0.02 6.16 0.00 -1.02 -0.54 119.26 125.48 1i13 h ALA 59 Ca 0.18 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.85 1i13 h ALA 59 Cb 0.08 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1i13 h ALA 59 CO -0.03 -0.13 -1.01 -0.44 0.00 0.00 0.00 179.25 177.64 1i13 h ASP 60 N 0.44 0.59 -0.06 0.00 3.32 -1.38 -3.19 116.42 116.14 1i13 h ASP 60 Ca 0.16 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 1i13 h ASP 60 Cb 0.03 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1i13 h ASP 60 CO -0.08 1.31 0.02 0.25 -1.72 0.00 0.00 179.24 179.01 1i13 h LEU 61 N 0.24 0.08 -1.80 1.55 5.85 -0.68 -1.34 115.31 119.21 1i13 h LEU 61 Ca -0.10 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1i13 h LEU 61 Cb 1.66 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1i13 h LEU 61 CO 0.18 0.24 0.04 0.00 -0.34 0.00 0.00 178.44 178.56 1i13 h ARG 63 N 0.17 0.82 -0.55 0.00 3.08 -1.49 -0.57 114.38 115.84 1i13 h ARG 63 Ca 0.04 -0.50 -0.10 0.00 0.07 0.00 0.00 59.98 59.50 1i13 h ARG 63 Cb 0.05 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1i13 h ARG 63 CO -0.00 1.13 -0.04 0.00 -1.07 0.00 0.00 179.97 179.99 1i13 h ALA 64 N 0.77 0.90 -0.53 0.04 0.00 0.16 -1.29 119.26 119.31 1i13 h ALA 64 Ca 0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1i13 h ALA 64 Cb 1.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1i13 h ALA 64 CO 0.11 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.94 1i13 h LEU 65 N 0.88 0.87 -1.29 0.00 3.38 -0.67 -1.98 115.31 116.50 1i13 h LEU 65 Ca 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1i13 h LEU 65 Cb 0.57 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1i13 h LEU 65 CO 0.03 0.93 0.14 0.00 0.09 0.00 0.00 178.44 179.63 1i13 h ASP 67 N 0.63 0.00 -0.50 0.00 3.32 -0.47 -0.38 116.42 119.02 1i13 h ASP 67 Ca 0.15 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 1i13 h ASP 67 Cb 0.18 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.63 1i13 h ASP 67 CO -0.01 0.03 0.12 0.49 -1.72 0.00 0.00 179.24 178.15 1i13 n PHE 68 N -3.50 1.65 -2.10 4.55 3.01 -0.05 -4.96 117.46 116.05 1i13 n PHE 68 Ca -0.02 -1.28 -0.13 0.00 1.01 0.00 0.00 57.45 57.02 1i13 n PHE 68 Cb 0.13 -0.54 -0.02 0.00 -0.01 0.00 0.00 39.48 39.04 1i13 n PHE 68 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1i13 n ASN 69 N -0.63 -3.97 -4.65 4.37 3.02 -0.15 -4.96 115.26 108.29 1i13 n ASN 69 Ca 0.34 0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 54.71 1i13 n ASN 69 Cb 1.16 -3.46 -0.05 0.00 -0.61 0.00 0.00 39.78 36.82 1i13 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i13 s VAL 70 N -2.50 4.93 -0.17 2.41 1.01 -0.89 -5.01 120.40 120.19 1i13 s VAL 70 Ca 0.00 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 1i13 s VAL 70 Cb 0.00 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1i13 s VAL 70 CO 0.00 0.03 1.11 -2.16 0.00 0.00 0.00 175.10 174.08 1i13 s PRO 71 N 2.31 4.29 0.30 2.72 0.04 -1.26 -4.33 135.00 139.06 1i13 s PRO 71 Ca 0.32 1.47 0.10 0.00 0.04 0.00 0.00 61.00 62.93 1i13 s PRO 71 Cb -0.16 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 1i13 s PRO 71 CO 0.10 -0.58 -0.05 0.14 0.04 0.00 0.00 177.00 176.65 1i13 s VAL 72 N 2.96 2.86 -0.09 -0.36 -7.23 -1.26 -0.96 120.40 116.33 1i13 s VAL 72 Ca 0.49 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1i13 s VAL 72 Cb -0.18 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.10 1i13 s VAL 72 CO 0.12 -0.31 -0.11 -0.60 -0.31 0.00 0.00 175.10 173.88 1i13 s ARG 73 N -3.64 1.71 -0.09 4.82 3.52 -0.20 -4.81 118.95 120.25 1i13 s ARG 73 Ca 0.32 -0.38 -0.15 0.00 -0.13 0.00 0.00 55.73 55.39 1i13 s ARG 73 Cb -0.04 -1.52 -0.05 0.00 -1.56 0.00 0.00 34.95 31.79 1i13 s ARG 73 CO 0.18 -0.08 0.37 -1.64 -0.81 0.00 0.00 175.30 173.33 1i13 s MET 74 N 1.03 4.11 0.02 5.12 -1.94 -1.26 -0.44 119.30 125.93 1i13 s MET 74 Ca -0.08 0.29 0.03 0.00 -1.71 0.00 0.00 55.69 54.23 1i13 s MET 74 Cb -0.15 -3.34 -0.01 0.00 2.01 0.00 0.00 34.83 33.34 1i13 s MET 74 CO -0.01 0.41 -0.11 -1.21 -0.01 0.00 0.00 175.02 174.10 1i13 s GLU 75 N -0.14 0.78 -0.05 2.03 0.41 0.16 -4.94 118.70 116.95 1i13 s GLU 75 Ca 0.21 -0.53 0.04 0.00 -0.41 0.00 0.00 54.97 54.28 1i13 s GLU 75 Cb -0.15 -0.74 0.00 0.00 -1.78 0.00 0.00 34.13 31.46 1i13 s GLU 75 CO 0.09 0.19 -0.16 -0.06 -0.49 0.00 0.00 175.26 174.83 1i13 s PHE 76 N -0.58 1.71 0.09 1.61 0.40 -1.26 -0.38 117.98 119.57 1i13 s PHE 76 Ca 0.01 -0.55 0.08 0.00 -0.60 0.00 0.00 56.93 55.87 1i13 s PHE 76 Cb -0.06 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 1i13 s PHE 76 CO 0.00 -0.22 -0.20 0.96 0.70 0.00 0.00 175.22 176.47 1i13 s ILE 77 N 0.23 1.62 -0.08 0.64 -4.36 -0.35 -4.56 121.20 114.34 1i13 s ILE 77 Ca -0.08 -1.46 0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1i13 s ILE 77 Cb -0.13 -1.47 0.01 0.00 1.25 0.00 0.00 42.46 42.12 1i13 s ILE 77 CO 0.03 -0.05 -0.15 0.00 0.24 0.00 0.00 174.94 175.02 1i13 s VAL 79 N 0.72 2.02 0.08 0.00 -7.23 -1.26 -0.20 120.40 114.54 1i13 s VAL 79 Ca -0.13 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 57.99 1i13 s VAL 79 Cb -0.16 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1i13 s VAL 79 CO 0.03 -0.33 -0.06 -0.55 -0.31 0.00 0.00 175.10 173.89 1i13 s SER 80 N -2.89 0.93 0.03 4.85 0.15 0.70 -4.88 113.70 112.58 1i13 s SER 80 Ca 0.20 -0.97 -0.23 0.00 0.70 0.00 0.00 55.95 55.65 1i13 s SER 80 Cb -0.05 0.12 -0.06 0.00 -1.71 0.00 0.00 66.02 64.32 1i13 s SER 80 CO 0.09 -0.48 0.70 -0.55 1.20 0.00 0.00 173.24 174.19 1i13 s SER 81 N -2.89 7.12 0.40 5.45 0.15 -1.26 -0.36 113.70 122.31 1i13 s SER 81 Ca 0.09 1.34 0.13 0.00 0.70 0.00 0.00 55.95 58.20 1i13 s SER 81 Cb 0.05 -2.43 0.82 0.00 -1.71 0.00 0.00 66.02 62.75 1i13 s SER 81 CO -0.06 0.06 1.89 1.88 1.20 0.00 0.00 173.24 178.22 1i13 h TYR 82 N 5.59 0.04 0.00 3.44 -1.99 -1.95 -3.47 116.97 118.64 1i13 h TYR 82 Ca -0.45 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1i13 h TYR 82 Cb 1.20 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.92 1i13 h TYR 82 CO 0.65 0.31 0.00 0.41 -0.00 0.00 0.00 178.16 179.53 1i13 n GLY 83 N -0.71 -0.26 3.68 3.88 0.00 -1.26 -5.03 105.19 105.49 1i13 n GLY 83 Ca -0.02 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1i13 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i13 s GLU 84 N -2.00 4.37 -1.42 1.61 0.41 -1.26 -3.82 118.70 116.59 1i13 s GLU 84 Ca 0.00 1.29 -0.06 0.00 -0.41 0.00 0.00 54.97 55.79 1i13 s GLU 84 Cb 0.00 -3.56 0.01 0.00 -1.78 0.00 0.00 34.13 28.79 1i13 s GLU 84 CO 0.00 -0.36 0.82 0.41 -0.49 0.00 0.00 175.26 175.64 1i13 n GLY 85 N 3.21 -0.48 0.08 -1.39 0.00 -1.26 -4.90 105.19 100.46 1i13 n GLY 85 Ca 0.08 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1i13 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i13 n LEU 86 N -4.28 0.91 -3.91 0.99 4.77 -1.25 -4.96 117.00 109.27 1i13 n LEU 86 Ca -0.06 -0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 55.54 1i13 n LEU 86 Cb 0.59 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1i13 n LEU 86 CO 0.53 0.21 0.37 0.28 -1.33 0.00 0.00 177.39 177.45 1i13 s THR 87 N -2.89 0.00 0.00 -5.08 -1.32 -1.26 -5.01 115.64 100.08 1i13 s THR 87 Ca 0.12 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 1i13 s THR 87 Cb 0.17 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 1i13 s THR 87 CO 0.73 0.00 0.10 -0.24 -2.21 0.00 0.00 174.62 173.00 1i13 n SER 88 N -0.70 0.00 -0.18 8.08 2.88 -1.26 -4.75 113.62 117.70 1i13 n SER 88 Ca -0.04 -1.00 0.14 0.00 -1.33 0.00 0.00 58.87 56.64 1i13 n SER 88 Cb 0.60 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.56 1i13 n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1i13 n SER 89 N 0.00 0.73 -0.62 -3.46 2.88 -1.26 -4.90 113.62 106.98 1i13 n SER 89 Ca 0.00 -0.71 -0.07 0.00 -1.33 0.00 0.00 58.87 56.76 1i13 n SER 89 Cb 0.35 0.02 -0.02 0.00 -0.75 0.00 0.00 64.21 63.81 1i13 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i13 n GLY 90 N 1.31 0.69 3.76 0.46 0.00 -1.26 -4.47 105.19 105.68 1i13 n GLY 90 Ca 0.13 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1i13 n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i13 s GLN 91 N -3.09 4.16 0.09 1.61 -0.21 -1.26 -4.33 119.66 116.62 1i13 s GLN 91 Ca 0.00 2.49 0.05 0.00 0.02 0.00 0.00 55.36 57.92 1i13 s GLN 91 Cb 0.00 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.96 1i13 s GLN 91 CO 0.00 -0.51 -0.12 0.14 -2.12 0.00 0.00 175.29 172.67 1i13 s VAL 92 N -0.56 1.06 -0.08 1.09 -7.23 -1.26 -4.68 120.40 108.75 1i13 s VAL 92 Ca 0.57 -1.47 -0.27 0.00 -1.81 0.00 0.00 61.98 59.00 1i13 s VAL 92 Cb -0.45 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 1i13 s VAL 92 CO 0.54 -0.38 0.88 -0.60 -0.31 0.00 0.00 175.10 175.23 1i13 s ARG 93 N -2.23 4.44 -0.52 4.82 3.52 0.51 -4.88 118.95 124.61 1i13 s ARG 93 Ca 0.02 1.18 -0.24 0.00 -0.13 0.00 0.00 55.73 56.56 1i13 s ARG 93 Cb -0.07 -3.50 0.04 0.00 -1.56 0.00 0.00 34.95 29.86 1i13 s ARG 93 CO 0.02 -0.14 0.89 -1.64 -0.81 0.00 0.00 175.30 173.62 1i13 s MET 94 N 1.42 3.35 0.03 5.12 -1.94 -1.26 -0.22 119.30 125.81 1i13 s MET 94 Ca 0.44 -0.24 0.12 0.00 -1.71 0.00 0.00 55.69 54.30 1i13 s MET 94 Cb -0.19 -4.02 -0.20 0.00 2.01 0.00 0.00 34.83 32.43 1i13 s MET 94 CO 0.20 -1.37 0.90 -0.07 -0.01 0.00 0.00 175.02 174.67 1i13 h LEU 95 N 10.68 0.00 -7.21 -0.03 3.38 -0.92 -3.45 115.31 117.76 1i13 h LEU 95 Ca -0.26 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 1i13 h LEU 95 Cb 1.08 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.54 1i13 h LEU 95 CO 1.05 0.93 -0.41 -0.22 0.09 0.00 0.00 178.44 179.88 1i13 s LEU 96 N -6.26 -0.24 0.00 1.67 2.96 -0.96 -4.91 118.68 110.93 1i13 s LEU 96 Ca -0.02 0.79 0.03 0.00 -0.22 0.00 0.00 54.13 54.71 1i13 s LEU 96 Cb 0.09 1.09 0.03 0.00 0.50 0.00 0.00 46.19 47.90 1i13 s LEU 96 CO 0.82 -0.21 0.23 -0.67 -1.32 0.00 0.00 176.35 175.20 1i13 n ASP 97 N 4.88 3.05 -4.72 3.68 -0.08 -1.26 -1.13 116.55 120.98 1i13 n ASP 97 Ca -0.15 -3.05 -0.39 0.00 -1.51 0.00 0.00 54.79 49.70 1i13 n ASP 97 Cb 0.52 0.13 0.04 0.00 2.34 0.00 0.00 41.12 44.15 1i13 n ASP 97 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1i13 n THR 98 N -1.57 3.73 0.02 5.18 -2.24 -1.26 -4.83 114.28 113.32 1i13 n THR 98 Ca -0.11 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 60.99 1i13 n THR 98 Cb 0.64 -1.59 -0.12 0.00 -2.10 0.00 0.00 70.33 67.15 1i13 n THR 98 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1i13 h ARG 99 N 1.37 0.39 -6.20 -0.78 -0.00 -1.93 -3.46 114.38 103.77 1i13 h ARG 99 Ca -0.50 -0.49 -0.48 0.00 -0.00 0.00 0.00 59.98 58.51 1i13 h ARG 99 Cb 1.31 0.16 -0.01 0.00 -0.00 0.00 0.00 29.97 31.43 1i13 h ARG 99 CO 0.57 1.17 -0.41 -1.01 -0.00 0.00 0.00 179.97 180.28 1i13 s HIS 100 N -2.94 3.46 0.28 4.08 3.76 -1.26 -5.08 115.29 117.60 1i13 s HIS 100 Ca -0.13 0.05 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 1i13 s HIS 100 Cb 0.03 -1.63 -0.09 0.00 1.11 0.00 0.00 32.58 32.00 1i13 s HIS 100 CO 0.83 0.42 1.04 0.45 -0.85 0.00 0.00 174.74 176.63 1i13 s SER 101 N -3.83 7.32 0.02 1.40 0.15 -1.26 -4.93 113.70 112.57 1i13 s SER 101 Ca 0.35 2.12 0.24 0.00 0.70 0.00 0.00 55.95 59.36 1i13 s SER 101 Cb -0.09 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 61.91 1i13 s SER 101 CO 0.30 -0.09 1.27 2.30 1.20 0.00 0.00 173.24 178.21 1i13 n ILE 102 N 1.09 0.07 -1.70 6.45 -5.35 -1.26 -4.88 119.36 113.78 1i13 n ILE 102 Ca -0.00 -0.07 -0.54 0.00 -0.27 0.00 0.00 62.75 61.86 1i13 n ILE 102 Cb 0.46 0.31 -0.06 0.00 -1.74 0.00 0.00 39.64 38.61 1i13 n ILE 102 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1i13 n GLU 103 N -1.64 1.54 -0.79 6.28 2.13 -1.25 -0.05 120.64 126.85 1i13 n GLU 103 Ca 0.04 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1i13 n GLU 103 Cb 0.36 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1i13 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i13 n GLY 104 N 4.24 0.76 3.60 8.31 0.00 0.07 -4.85 105.19 117.32 1i13 n GLY 104 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 1i13 n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i13 s HIS 105 N -2.84 2.62 -0.23 1.61 3.76 0.92 -3.93 115.29 117.21 1i13 s HIS 105 Ca 0.00 -0.24 -0.24 0.00 -0.15 0.00 0.00 55.06 54.44 1i13 s HIS 105 Cb 0.00 -1.19 -0.01 0.00 1.11 0.00 0.00 32.58 32.49 1i13 s HIS 105 CO 0.00 0.60 0.79 -1.01 -0.85 0.00 0.00 174.74 174.27 1i13 s HIS 106 N -2.16 3.33 0.09 1.40 3.76 -1.26 0.80 115.29 121.24 1i13 s HIS 106 Ca 0.29 1.11 0.10 0.00 -0.15 0.00 0.00 55.06 56.41 1i13 s HIS 106 Cb -0.07 -3.00 -0.03 0.00 1.11 0.00 0.00 32.58 30.59 1i13 s HIS 106 CO 0.18 -0.34 -0.25 0.08 -0.85 0.00 0.00 174.74 173.55 1i13 s VAL 107 N 2.59 2.29 -0.11 -0.90 1.01 -0.61 -0.96 120.40 123.71 1i13 s VAL 107 Ca 0.34 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 1i13 s VAL 107 Cb -0.16 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1i13 s VAL 107 CO 0.09 0.23 0.03 -0.22 0.00 0.00 0.00 175.10 175.23 1i13 s LEU 108 N -1.66 0.62 -0.09 3.92 2.96 0.45 -1.55 118.68 123.33 1i13 s LEU 108 Ca 0.13 -0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 53.50 1i13 s LEU 108 Cb -0.10 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 1i13 s LEU 108 CO 0.04 -0.25 0.74 -0.63 -1.32 0.00 0.00 176.35 174.94 1i13 s ILE 109 N 2.00 5.00 -0.22 6.68 1.01 -0.10 -0.58 121.20 134.99 1i13 s ILE 109 Ca 0.03 1.51 -0.07 0.00 0.00 0.00 0.00 60.65 62.12 1i13 s ILE 109 Cb -0.14 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1i13 s ILE 109 CO -0.06 0.19 0.07 -0.69 0.00 0.00 0.00 174.94 174.45 1i13 s VAL 110 N 1.14 4.53 0.10 2.92 1.01 0.98 -0.89 120.40 130.19 1i13 s VAL 110 Ca 0.38 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.29 1i13 s VAL 110 Cb -0.18 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1i13 s VAL 110 CO 0.17 0.38 -0.10 -1.61 0.00 0.00 0.00 175.10 173.94 1i13 s GLU 111 N 1.16 0.86 -0.08 2.72 0.41 -0.44 -2.08 118.70 121.24 1i13 s GLU 111 Ca 0.05 -1.19 -0.12 0.00 -0.41 0.00 0.00 54.97 53.29 1i13 s GLU 111 Cb -0.14 -0.51 -0.29 0.00 -1.78 0.00 0.00 34.13 31.41 1i13 s GLU 111 CO 0.03 0.07 0.57 0.38 -0.49 0.00 0.00 175.26 175.83 1i13 h ASP 112 N 3.46 0.49 -4.19 -0.19 2.03 -1.86 -2.18 116.42 113.99 1i13 h ASP 112 Ca -0.37 -0.90 -0.12 0.00 -0.73 0.00 0.00 57.03 54.90 1i13 h ASP 112 Cb 1.19 -0.16 -0.23 0.00 -0.83 0.00 0.00 39.33 39.30 1i13 h ASP 112 CO 0.55 1.74 -0.26 -0.51 -1.03 0.00 0.00 179.24 179.72 1i13 s ILE 113 N -2.53 0.01 -0.07 4.15 2.07 -1.26 -0.40 121.20 123.17 1i13 s ILE 113 Ca -0.19 -0.12 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 1i13 s ILE 113 Cb 0.05 -0.57 0.01 0.00 0.13 0.00 0.00 42.46 42.08 1i13 s ILE 113 CO 0.80 -0.07 -0.16 0.54 -1.91 0.00 0.00 174.94 174.15 1i13 s VAL 114 N -0.23 1.43 0.00 4.00 0.11 -0.78 -4.98 120.40 119.95 1i13 s VAL 114 Ca -0.04 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1i13 s VAL 114 Cb -0.03 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.55 1i13 s VAL 114 CO 0.02 0.42 0.00 0.00 -3.33 0.00 0.00 175.10 172.21 1i13 n ALA 115 N 3.62 1.83 0.08 1.54 0.00 -1.26 -1.00 120.51 125.32 1i13 n ALA 115 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.20 1i13 n ALA 115 Cb 0.52 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.19 1i13 n ALA 115 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1i13 h THR 116 N 0.00 1.30 0.00 0.00 1.35 -1.87 -2.25 112.91 111.45 1i13 h THR 116 Ca 0.00 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1i13 h THR 116 Cb 0.00 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1i13 h THR 116 CO 0.00 0.45 0.00 0.00 -0.25 0.00 0.00 175.52 175.72 1i13 n ALA 117 N -2.48 0.00 -0.15 6.62 0.00 -1.26 -0.96 120.51 122.28 1i13 n ALA 117 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 1i13 n ALA 117 Cb 0.47 -0.39 0.03 0.00 0.00 0.00 0.00 19.45 19.56 1i13 n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i13 h LEU 118 N 0.00 0.38 0.04 0.00 3.38 -1.90 0.79 115.31 118.00 1i13 h LEU 118 Ca 0.00 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1i13 h LEU 118 Cb 0.15 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 40.86 1i13 h LEU 118 CO 0.00 0.27 -0.75 0.74 0.09 0.00 0.00 178.44 178.79 1i13 h THR 119 N 0.49 1.42 -0.64 0.22 2.02 -1.89 -2.78 112.91 111.76 1i13 h THR 119 Ca 0.19 -2.23 -0.05 0.00 0.77 0.00 0.00 66.41 65.09 1i13 h THR 119 Cb 0.07 2.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.18 1i13 h THR 119 CO -0.12 0.65 0.20 0.25 0.37 0.00 0.00 175.52 176.87 1i13 h LEU 120 N -0.09 0.91 -0.62 2.58 5.85 -1.88 -0.32 115.31 121.74 1i13 h LEU 120 Ca -0.11 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1i13 h LEU 120 Cb 1.48 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1i13 h LEU 120 CO 0.15 0.85 0.19 -1.13 -0.34 0.00 0.00 178.44 178.16 1i13 h ASN 121 N 0.94 0.91 -0.16 1.25 -1.24 -0.91 0.61 115.58 116.98 1i13 h ASN 121 Ca 0.21 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1i13 h ASN 121 Cb 0.27 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 1i13 h ASN 121 CO -0.01 0.87 0.10 0.22 -1.29 0.00 0.00 177.43 177.32 1i13 h TYR 122 N 0.89 0.20 -0.84 0.67 3.20 -1.17 -2.67 116.97 117.25 1i13 h TYR 122 Ca 0.20 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1i13 h TYR 122 Cb 0.29 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1i13 h TYR 122 CO 0.02 0.16 0.41 -0.07 -1.64 0.00 0.00 178.16 177.04 1i13 h LEU 123 N 0.19 1.10 0.28 2.82 3.38 -0.70 -1.48 115.31 120.90 1i13 h LEU 123 Ca 0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i13 h LEU 123 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1i13 h LEU 123 CO -0.01 0.92 -0.25 0.22 0.09 0.00 0.00 178.44 179.41 1i13 h TYR 124 N 1.20 -0.65 -0.62 1.13 3.20 -0.76 -1.29 116.97 119.17 1i13 h TYR 124 Ca 0.29 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 1i13 h TYR 124 Cb 0.11 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1i13 h TYR 124 CO 0.01 -0.37 0.19 0.45 -1.64 0.00 0.00 178.16 176.81 1i13 h HIS 125 N -0.55 0.96 0.18 -3.82 3.86 -1.35 0.12 115.15 114.55 1i13 h HIS 125 Ca -0.01 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1i13 h HIS 125 Cb 0.49 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1i13 h HIS 125 CO -0.15 0.77 -0.15 1.98 0.86 0.00 0.00 177.93 181.24 1i13 h MET 126 N 0.91 -0.34 -0.18 2.45 1.85 -0.98 0.16 114.93 118.80 1i13 h MET 126 Ca 0.20 0.02 -0.10 0.00 -0.61 0.00 0.00 59.70 59.22 1i13 h MET 126 Cb 0.26 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.36 1i13 h MET 126 CO -0.01 -0.23 -0.33 1.88 -0.40 0.00 0.00 176.91 177.83 1i13 h TYR 127 N -0.35 0.42 -0.74 1.39 0.99 -1.10 -2.55 116.97 115.04 1i13 h TYR 127 Ca -0.00 -0.10 0.04 0.00 2.00 0.00 0.00 58.73 60.67 1i13 h TYR 127 Cb 0.32 -0.10 -0.04 0.00 1.00 0.00 0.00 36.73 37.91 1i13 h TYR 127 CO -0.12 0.66 0.49 0.35 -0.00 0.00 0.00 178.16 179.54 1i13 h PHE 128 N 0.32 0.86 0.00 4.88 3.57 -0.05 -0.53 116.94 125.99 1i13 h PHE 128 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1i13 h PHE 128 Cb 0.74 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1i13 h PHE 128 CO 0.02 0.49 0.00 1.79 -2.23 0.00 0.00 178.31 178.38 1i13 h THR 129 N 0.89 0.00 0.00 4.41 1.35 -0.55 -2.53 112.91 116.48 1i13 h THR 129 Ca 0.30 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1i13 h THR 129 Cb 0.08 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1i13 h THR 129 CO -0.09 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.72 1i13 n ARG 130 N -2.84 0.97 -3.17 4.72 1.74 -0.21 -4.95 116.66 112.93 1i13 n ARG 130 Ca 0.01 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.95 1i13 n ARG 130 Cb 0.27 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.29 1i13 n ARG 130 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1i13 n ARG 131 N -1.01 -5.23 -1.56 5.56 -4.01 -0.95 -3.89 116.66 105.57 1i13 n ARG 131 Ca 0.23 0.70 -0.31 0.00 -1.04 0.00 0.00 57.85 57.43 1i13 n ARG 131 Cb 0.11 -5.27 0.06 0.00 -3.04 0.00 0.00 32.46 24.32 1i13 n ARG 131 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1i13 s PRO 132 N -5.06 2.81 0.41 2.89 0.04 -1.26 -0.75 135.00 134.09 1i13 s PRO 132 Ca 0.03 1.05 0.13 0.00 0.04 0.00 0.00 61.00 62.25 1i13 s PRO 132 Cb -0.00 -1.97 0.97 0.00 0.04 0.00 0.00 34.50 33.53 1i13 s PRO 132 CO 0.60 -1.21 1.93 0.00 0.04 0.00 0.00 177.00 178.37 1i13 h ALA 133 N -0.66 1.99 -2.71 8.56 0.00 0.27 -3.42 119.26 123.29 1i13 h ALA 133 Ca -0.44 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1i13 h ALA 133 Cb 1.22 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 1i13 h ALA 133 CO 0.55 -0.17 0.33 -1.54 0.00 0.00 0.00 179.25 178.43 1i13 s SER 134 N -6.04 -0.40 -0.14 0.00 1.04 -1.12 -4.92 113.70 102.11 1i13 s SER 134 Ca -0.08 -0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.12 1i13 s SER 134 Cb 0.21 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.94 1i13 s SER 134 CO 0.77 -0.94 0.31 -0.22 0.98 0.00 0.00 173.24 174.14 1i13 s LEU 135 N -2.74 -0.21 0.21 2.42 2.96 -1.26 -1.57 118.68 118.50 1i13 s LEU 135 Ca 0.05 0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 54.67 1i13 s LEU 135 Cb -0.02 0.94 -0.04 0.00 0.50 0.00 0.00 46.19 47.56 1i13 s LEU 135 CO -0.06 -0.22 0.11 -0.54 -1.32 0.00 0.00 176.35 174.32 1i13 s LYS 136 N 2.09 1.23 0.07 1.98 1.02 -0.59 -5.01 119.74 120.53 1i13 s LYS 136 Ca -0.03 -1.65 0.05 0.00 0.02 0.00 0.00 55.97 54.36 1i13 s LYS 136 Cb -0.11 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.25 1i13 s LYS 136 CO -0.10 -0.34 -0.13 0.95 -0.92 0.00 0.00 175.35 174.82 1i13 s THR 137 N -4.00 1.01 -0.06 2.17 -4.23 -1.26 -0.93 115.64 108.34 1i13 s THR 137 Ca 0.37 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1i13 s THR 137 Cb 0.07 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.87 1i13 s THR 137 CO 0.11 -0.31 -0.05 0.54 -0.54 0.00 0.00 174.62 174.38 1i13 s VAL 138 N -1.50 0.65 -0.05 2.29 0.11 -0.06 -1.54 120.40 120.30 1i13 s VAL 138 Ca -0.02 -0.13 0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1i13 s VAL 138 Cb -0.09 -0.69 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1i13 s VAL 138 CO 0.02 0.27 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.20 1i13 s VAL 139 N 1.26 1.46 0.02 2.04 1.01 -0.45 -1.33 120.40 124.42 1i13 s VAL 139 Ca -0.05 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1i13 s VAL 139 Cb -0.14 -1.26 -0.18 0.00 0.00 0.00 0.00 36.38 34.80 1i13 s VAL 139 CO -0.02 0.42 1.44 0.25 0.00 0.00 0.00 175.10 177.19 1i13 h LEU 140 N 6.31 -0.00 -8.85 3.92 5.85 -1.23 -2.11 115.31 119.19 1i13 h LEU 140 Ca -0.32 -0.30 -0.69 0.00 0.84 0.00 0.00 57.88 57.41 1i13 h LEU 140 Cb 1.18 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.97 1i13 h LEU 140 CO 0.48 0.30 -0.86 -0.76 -0.34 0.00 0.00 178.44 177.26 1i13 s LEU 141 N -9.59 2.31 -0.06 2.25 1.43 0.46 -1.02 118.68 114.45 1i13 s LEU 141 Ca -0.15 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1i13 s LEU 141 Cb 0.03 -1.31 0.03 0.00 0.03 0.00 0.00 46.19 44.97 1i13 s LEU 141 CO 0.67 0.23 0.02 -0.62 0.23 0.00 0.00 176.35 176.88 1i13 s ASP 142 N -1.60 1.45 -1.12 2.29 -1.08 -0.40 -1.87 116.67 114.33 1i13 s ASP 142 Ca 0.13 -0.04 -0.12 0.00 -0.52 0.00 0.00 52.55 52.00 1i13 s ASP 142 Cb -0.10 -0.33 0.21 0.00 -1.46 0.00 0.00 42.92 41.24 1i13 s ASP 142 CO 0.04 -0.22 1.23 -0.54 0.52 0.00 0.00 175.17 176.21 1i13 s LYS 143 N 2.04 4.07 0.44 4.34 1.02 -0.17 -0.49 119.74 130.99 1i13 s LYS 143 Ca 0.05 -2.77 0.22 0.00 0.02 0.00 0.00 55.97 53.49 1i13 s LYS 143 Cb -0.12 -4.80 1.19 0.00 -0.52 0.00 0.00 37.83 33.58 1i13 s LYS 143 CO -0.05 -1.52 1.84 0.00 -0.92 0.00 0.00 175.35 174.70 1i13 h ARG 144 N 7.13 0.29 0.00 1.68 3.08 -1.83 -0.80 114.38 123.93 1i13 h ARG 144 Ca 0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1i13 h ARG 144 Cb 0.90 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1i13 h ARG 144 CO 1.11 0.19 0.00 0.39 -1.07 0.00 0.00 179.97 180.59 1i13 n GLU 145 N -4.47 0.64 -0.03 0.04 1.02 -1.26 -3.82 120.64 112.77 1i13 n GLU 145 Ca 0.21 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.48 1i13 n GLU 145 Cb 0.82 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 31.11 1i13 n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i13 n GLY 146 N 1.07 0.45 3.64 0.62 0.00 -0.30 -4.99 105.19 105.66 1i13 n GLY 146 Ca 0.18 -0.53 -0.48 0.00 0.00 0.00 0.00 46.02 45.19 1i13 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i13 n ARG 147 N 0.61 1.74 -0.00 1.61 5.12 -0.84 -3.36 116.66 121.53 1i13 n ARG 147 Ca 0.17 0.63 0.05 0.00 -1.93 0.00 0.00 57.85 56.77 1i13 n ARG 147 Cb 0.44 -2.32 -0.07 0.00 -1.16 0.00 0.00 32.46 29.35 1i13 n ARG 147 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1i13 n ARG 148 N 2.80 2.04 -3.79 5.56 5.12 -0.13 -4.92 116.66 123.33 1i13 n ARG 148 Ca 0.16 -0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.91 1i13 n ARG 148 Cb 0.26 -1.13 -0.11 0.00 -1.16 0.00 0.00 32.46 30.32 1i13 n ARG 148 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1i13 s VAL 149 N -2.37 0.01 0.18 1.55 0.11 -1.10 -5.01 120.40 113.77 1i13 s VAL 149 Ca 0.00 -0.08 -0.32 0.00 -2.93 0.00 0.00 61.98 58.66 1i13 s VAL 149 Cb 0.08 -0.40 -0.10 0.00 -1.53 0.00 0.00 36.38 34.43 1i13 s VAL 149 CO 0.46 -0.05 1.59 -2.16 -3.33 0.00 0.00 175.10 171.62 1i13 s PRO 150 N -0.07 4.20 -0.28 1.54 0.04 -1.26 -4.77 135.00 134.39 1i13 s PRO 150 Ca -0.02 2.41 -0.21 0.00 0.04 0.00 0.00 61.00 63.22 1i13 s PRO 150 Cb -0.02 -3.13 0.09 0.00 0.04 0.00 0.00 34.50 31.48 1i13 s PRO 150 CO 0.01 -0.63 0.80 0.12 0.04 0.00 0.00 177.00 177.34 1i13 s PHE 151 N 1.06 -0.79 -0.11 0.56 5.36 -1.26 -5.04 117.98 117.77 1i13 s PHE 151 Ca 0.70 1.74 0.01 0.00 -0.96 0.00 0.00 56.93 58.43 1i13 s PHE 151 Cb -0.45 0.41 0.02 0.00 -0.34 0.00 0.00 43.02 42.66 1i13 s PHE 151 CO 0.32 -0.38 -0.15 -1.12 -1.46 0.00 0.00 175.22 172.43 1i13 s SER 152 N 0.86 2.43 0.34 6.13 0.01 -1.26 -5.08 113.70 117.13 1i13 s SER 152 Ca -0.04 -0.42 -0.20 0.00 1.31 0.00 0.00 55.95 56.60 1i13 s SER 152 Cb -0.05 -1.08 -0.10 0.00 0.21 0.00 0.00 66.02 65.01 1i13 s SER 152 CO -0.09 0.00 0.86 0.00 0.41 0.00 0.00 173.24 174.42 1i13 s ALA 153 N 1.06 3.21 0.13 1.44 0.00 -1.26 -4.98 121.76 121.35 1i13 s ALA 153 Ca -0.05 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.08 1i13 s ALA 153 Cb -0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1i13 s ALA 153 CO -0.03 0.22 1.49 -0.44 0.00 0.00 0.00 175.76 177.01 1i13 h ASP 154 N 2.54 0.85 -3.97 0.00 3.32 -1.85 -3.44 116.42 113.86 1i13 h ASP 154 Ca -0.48 -0.42 -0.46 0.00 0.02 0.00 0.00 57.03 55.70 1i13 h ASP 154 Cb 1.18 -0.24 -0.30 0.00 0.22 0.00 0.00 39.33 40.20 1i13 h ASP 154 CO 0.64 1.08 -0.80 -0.31 -1.72 0.00 0.00 179.24 178.12 1i13 s TYR 155 N -4.59 1.13 -0.02 4.55 1.51 -0.59 -5.01 117.35 114.34 1i13 s TYR 155 Ca -0.12 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1i13 s TYR 155 Cb 0.10 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 41.20 1i13 s TYR 155 CO 0.84 -0.07 -0.02 0.08 -1.11 0.00 0.00 175.55 175.27 1i13 s VAL 156 N -0.04 0.26 0.05 0.71 1.01 -1.26 -1.33 120.40 119.80 1i13 s VAL 156 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1i13 s VAL 156 Cb -0.07 -0.30 -0.33 0.00 0.00 0.00 0.00 36.38 35.68 1i13 s VAL 156 CO 0.00 0.13 1.06 0.58 0.00 0.00 0.00 175.10 176.88 1i13 h VAL 157 N 5.82 1.35 -2.20 2.92 2.07 -0.91 -3.47 116.25 121.82 1i13 h VAL 157 Ca -0.37 -2.77 -0.05 0.00 0.82 0.00 0.00 66.70 64.33 1i13 h VAL 157 Cb 1.16 2.96 -0.22 0.00 -1.52 0.00 0.00 31.29 33.67 1i13 h VAL 157 CO 0.49 0.83 -0.01 0.00 0.02 0.00 0.00 177.57 178.90 1i13 s ALA 158 N -2.68 -1.60 0.05 1.67 0.00 -0.19 -4.99 121.76 114.02 1i13 s ALA 158 Ca -0.07 1.93 -0.21 0.00 0.00 0.00 0.00 51.96 53.61 1i13 s ALA 158 Cb 0.05 -1.13 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 1i13 s ALA 158 CO 0.93 -0.32 0.63 -0.80 0.00 0.00 0.00 175.76 176.20 1i13 s ASN 159 N 0.79 7.08 0.19 0.00 0.01 -1.26 -1.28 114.94 120.47 1i13 s ASN 159 Ca -0.04 1.29 0.04 0.00 -0.71 0.00 0.00 52.86 53.44 1i13 s ASN 159 Cb -0.05 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 1i13 s ASN 159 CO -0.06 0.16 -0.06 0.27 -1.51 0.00 0.00 177.10 175.90 1i13 s ILE 160 N -0.61 1.13 1.05 0.60 -4.36 0.35 -4.87 121.20 114.49 1i13 s ILE 160 Ca 0.32 -2.05 -0.15 0.00 -0.26 0.00 0.00 60.65 58.50 1i13 s ILE 160 Cb -0.20 -2.08 0.21 0.00 1.25 0.00 0.00 42.46 41.65 1i13 s ILE 160 CO 0.20 -0.55 1.14 -2.84 0.24 0.00 0.00 174.94 173.13 1i13 s PRO 161 N -3.80 0.02 -1.24 0.37 0.02 -1.26 -4.32 135.00 124.80 1i13 s PRO 161 Ca 0.22 0.10 -0.15 0.00 0.02 0.00 0.00 61.00 61.19 1i13 s PRO 161 Cb 0.04 -1.73 0.14 0.00 0.02 0.00 0.00 34.50 32.97 1i13 s PRO 161 CO 0.04 -2.92 1.52 0.09 -0.33 0.00 0.00 177.00 175.41 1i13 n ASN 162 N -4.23 5.14 -4.03 2.53 4.13 -1.26 -4.87 115.26 112.68 1i13 n ASN 162 Ca 0.10 -2.96 -0.09 0.00 1.68 0.00 0.00 54.58 53.30 1i13 n ASN 162 Cb 0.59 -1.62 -0.11 0.00 -1.54 0.00 0.00 39.78 37.10 1i13 n ASN 162 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i13 s ALA 163 N 2.31 0.34 -0.31 5.41 0.00 -1.26 -5.11 121.76 123.14 1i13 s ALA 163 Ca 0.46 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 1i13 s ALA 163 Cb -0.01 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1i13 s ALA 163 CO 0.02 -0.18 1.10 0.12 0.00 0.00 0.00 175.76 176.82 1i13 s PHE 164 N -2.08 3.12 0.09 0.00 5.36 -1.26 -5.01 117.98 118.20 1i13 s PHE 164 Ca -0.08 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 1i13 s PHE 164 Cb -0.05 -3.67 -0.04 0.00 -0.34 0.00 0.00 43.02 38.91 1i13 s PHE 164 CO -0.03 -0.85 0.23 0.14 -1.46 0.00 0.00 175.22 173.26 1i13 s VAL 165 N 3.67 5.37 0.12 3.12 -7.23 -1.26 -1.23 120.40 122.95 1i13 s VAL 165 Ca 0.46 -0.45 -0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1i13 s VAL 165 Cb -0.13 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 1i13 s VAL 165 CO 0.15 0.08 0.03 0.27 -0.31 0.00 0.00 175.10 175.32 1i13 s ILE 166 N -1.58 0.18 0.00 -0.62 -4.36 0.10 -4.64 121.20 110.29 1i13 s ILE 166 Ca 0.35 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 1i13 s ILE 166 Cb -0.12 -1.94 0.00 0.00 1.25 0.00 0.00 42.46 41.64 1i13 s ILE 166 CO 0.28 -0.58 0.00 0.61 0.24 0.00 0.00 174.94 175.49 1i13 n GLY 167 N -0.07 1.33 4.00 6.27 0.00 0.70 -1.40 105.19 116.03 1i13 n GLY 167 Ca -0.07 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 1i13 n GLY 167 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i13 n TYR 168 N 1.57 -1.98 0.00 1.61 9.36 0.04 -0.99 117.16 126.77 1i13 n TYR 168 Ca 0.00 0.84 0.00 0.00 3.32 0.00 0.00 57.90 62.06 1i13 n TYR 168 Cb 0.00 -3.66 0.00 0.00 -0.63 0.00 0.00 39.34 35.05 1i13 n TYR 168 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1i13 n GLY 169 N -1.64 3.01 3.74 2.98 0.00 0.59 -4.54 105.19 109.34 1i13 n GLY 169 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1i13 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i13 s LEU 170 N 0.00 4.52 0.40 0.99 1.43 -0.16 -4.24 118.68 121.62 1i13 s LEU 170 Ca 0.00 1.76 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1i13 s LEU 170 Cb 0.00 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 1i13 s LEU 170 CO 0.00 -0.00 0.05 1.51 0.23 0.00 0.00 176.35 178.14 1i13 s ASP 171 N -0.28 3.19 -0.12 2.29 -4.77 -1.26 -0.21 116.67 115.51 1i13 s ASP 171 Ca 0.44 -1.47 -0.03 0.00 -3.30 0.00 0.00 52.55 48.19 1i13 s ASP 171 Cb -0.23 0.03 0.04 0.00 -1.09 0.00 0.00 42.92 41.67 1i13 s ASP 171 CO 0.29 -0.66 0.04 -0.47 0.70 0.00 0.00 175.17 175.08 1i13 s TYR 172 N -3.04 0.52 -1.39 2.11 5.04 -0.80 -4.79 117.35 115.01 1i13 s TYR 172 Ca 0.29 -0.30 -0.09 0.00 -2.44 0.00 0.00 57.07 54.53 1i13 s TYR 172 Cb 0.07 -0.77 0.03 0.00 0.35 0.00 0.00 41.96 41.64 1i13 s TYR 172 CO 0.14 -0.42 1.08 -3.47 -1.34 0.00 0.00 175.55 171.54 1i13 n ASP 173 N 5.19 -5.18 -2.37 4.32 -0.08 -1.26 -1.30 116.55 115.88 1i13 n ASP 173 Ca -0.07 -0.64 -0.16 0.00 -1.51 0.00 0.00 54.79 52.42 1i13 n ASP 173 Cb 0.49 -4.65 -0.01 0.00 2.34 0.00 0.00 41.12 39.29 1i13 n ASP 173 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1i13 n ASP 174 N -2.98 -4.74 -4.44 1.67 2.03 -1.26 -4.96 116.55 101.86 1i13 n ASP 174 Ca -0.03 0.12 -0.27 0.00 0.52 0.00 0.00 54.79 55.13 1i13 n ASP 174 Cb 0.57 -4.00 -0.11 0.00 -0.72 0.00 0.00 41.12 36.85 1i13 n ASP 174 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1i13 s THR 175 N -2.77 2.47 0.00 5.18 2.01 -0.42 -4.77 115.64 117.35 1i13 s THR 175 Ca 0.00 -1.95 0.00 0.00 0.31 0.00 0.00 61.69 60.05 1i13 s THR 175 Cb 0.00 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.32 1i13 s THR 175 CO 0.00 -0.10 0.00 -1.22 -0.69 0.00 0.00 174.62 172.61 1i13 n TYR 176 N 0.29 0.00 0.25 4.92 4.02 -1.26 -1.90 117.16 123.47 1i13 n TYR 176 Ca -0.13 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.87 1i13 n TYR 176 Cb 0.56 -0.88 0.63 0.00 -0.02 0.00 0.00 39.34 39.63 1i13 n TYR 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i13 h ARG 177 N 0.77 0.00 0.00 -0.72 3.08 -1.84 -2.74 114.38 112.92 1i13 h ARG 177 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i13 h ARG 177 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1i13 h ARG 177 CO 0.00 0.17 0.00 -0.85 -1.07 0.00 0.00 179.97 178.22 1i13 n GLU 178 N -3.75 0.37 -1.79 0.04 0.00 -1.26 -0.30 120.64 113.96 1i13 n GLU 178 Ca -0.02 0.04 -0.40 0.00 0.00 0.00 0.00 57.16 56.78 1i13 n GLU 178 Cb 0.28 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.23 1i13 n GLU 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1i13 s LEU 179 N -2.58 4.13 0.38 -1.84 1.43 -1.05 -4.80 118.68 114.34 1i13 s LEU 179 Ca 0.25 2.95 0.25 0.00 -1.03 0.00 0.00 54.13 56.54 1i13 s LEU 179 Cb 0.18 -3.91 0.57 0.00 0.03 0.00 0.00 46.19 43.06 1i13 s LEU 179 CO 0.41 -1.16 1.69 0.03 0.23 0.00 0.00 176.35 177.55 1i13 h ARG 180 N 2.38 0.00 -5.94 1.70 3.08 -1.92 0.15 114.38 113.84 1i13 h ARG 180 Ca -0.51 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 58.97 1i13 h ARG 180 Cb 1.26 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.22 1i13 h ARG 180 CO 0.61 0.00 -0.55 -0.51 -1.07 0.00 0.00 179.97 178.46 1i13 s ASP 181 N -5.62 4.33 -0.23 7.04 1.01 -1.26 -3.66 116.67 118.28 1i13 s ASP 181 Ca 0.08 -1.04 -0.05 0.00 0.71 0.00 0.00 52.55 52.24 1i13 s ASP 181 Cb 0.08 -0.52 -0.02 0.00 1.01 0.00 0.00 42.92 43.47 1i13 s ASP 181 CO 0.63 -0.41 0.01 -0.63 0.21 0.00 0.00 175.17 174.98 1i13 s ILE 182 N -2.56 3.86 0.24 0.77 1.01 -0.48 -3.18 121.20 120.85 1i13 s ILE 182 Ca 0.38 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.76 1i13 s ILE 182 Cb 0.02 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1i13 s ILE 182 CO 0.21 0.39 -0.07 0.68 0.00 0.00 0.00 174.94 176.15 1i13 s VAL 183 N 1.45 1.48 -0.17 2.92 -7.23 -0.49 -0.79 120.40 117.56 1i13 s VAL 183 Ca 0.05 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 57.98 1i13 s VAL 183 Cb -0.15 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 1i13 s VAL 183 CO 0.00 -0.41 0.26 -0.69 -0.31 0.00 0.00 175.10 173.95 1i13 s VAL 184 N -3.13 5.33 0.12 1.32 1.01 -0.08 -0.72 120.40 124.24 1i13 s VAL 184 Ca 0.27 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1i13 s VAL 184 Cb 0.03 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1i13 s VAL 184 CO 0.09 0.39 1.18 -0.22 0.00 0.00 0.00 175.10 176.55 1i13 s LEU 185 N 0.49 4.41 -0.15 3.92 2.96 -0.37 -0.78 118.68 129.17 1i13 s LEU 185 Ca 0.15 2.10 -0.35 0.00 -0.22 0.00 0.00 54.13 55.81 1i13 s LEU 185 Cb -0.13 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 1i13 s LEU 185 CO 0.03 -0.40 1.92 0.54 -1.32 0.00 0.00 176.35 177.12 1i13 n ARG 186 N 3.22 1.90 -0.37 1.98 1.74 -0.50 -4.65 116.66 119.98 1i13 n ARG 186 Ca 0.06 0.68 0.29 0.00 -0.77 0.00 0.00 57.85 58.11 1i13 n ARG 186 Cb 0.46 -2.58 0.56 0.00 -1.02 0.00 0.00 32.46 29.88 1i13 n ARG 186 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1i13 h PRO 187 N 9.61 0.24 -0.46 5.56 0.11 -1.91 0.42 132.00 145.56 1i13 h PRO 187 Ca -0.46 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1i13 h PRO 187 Cb 1.28 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1i13 h PRO 187 CO 0.96 0.16 0.27 0.93 -0.21 0.00 0.00 178.00 180.10 1i13 h GLU 188 N 0.25 0.52 -0.54 1.05 5.08 -1.87 -1.96 114.58 117.10 1i13 h GLU 188 Ca 0.72 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 59.03 1i13 h GLU 188 Cb 1.98 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 1i13 h GLU 188 CO -0.42 0.34 0.29 0.28 -1.00 0.00 0.00 179.01 178.50 1i13 h VAL 189 N 0.53 1.19 0.00 3.13 2.07 -0.53 -1.66 116.25 120.99 1i13 h VAL 189 Ca 0.18 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1i13 h VAL 189 Cb 0.03 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1i13 h VAL 189 CO -0.09 0.20 -0.06 1.88 0.02 0.00 0.00 177.57 179.52 1i13 h TYR 190 N 0.73 0.00 0.00 1.57 0.99 -1.15 -3.51 116.97 115.60 1i13 h TYR 190 Ca 0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.92 1i13 h TYR 190 Cb 0.07 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.80 1i13 h TYR 190 CO -0.01 0.06 0.00 0.00 -0.00 0.00 0.00 178.16 178.21