#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3igj n LYS 2 N 0.00 0.00 -2.81 0.00 4.81 -1.26 -5.26 118.16 113.63 3igj n LYS 2 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 3igj n LYS 2 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 3igj n LYS 2 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3igj s THR 3 N 0.00 2.58 0.20 3.15 -4.23 -1.26 -4.98 115.64 111.11 3igj s THR 3 Ca 0.00 -0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 59.59 3igj s THR 3 Cb 0.00 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.21 3igj s THR 3 CO 0.00 0.00 1.84 -0.33 -0.54 0.00 0.00 174.62 175.59 3igj h GLU 4 N 0.16 0.81 -0.91 3.99 4.39 -2.00 -1.69 114.58 119.32 3igj h GLU 4 Ca -0.38 -0.05 0.17 0.00 0.34 0.00 0.00 59.36 59.44 3igj h GLU 4 Cb 1.29 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 29.68 3igj h GLU 4 CO 0.46 0.53 0.59 -0.22 -1.16 0.00 0.00 179.01 179.21 3igj h LYS 5 N 0.83 0.61 -0.40 2.33 3.64 -1.95 -1.47 116.57 120.16 3igj h LYS 5 Ca 0.28 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.52 3igj h LYS 5 Cb 0.02 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3igj h LYS 5 CO -0.11 0.40 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.91 3igj h ASP 6 N 0.63 0.80 0.00 4.20 3.32 -1.70 -1.90 116.42 121.78 3igj h ASP 6 Ca 0.48 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3igj h ASP 6 Cb 0.87 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3igj h ASP 6 CO -0.23 0.99 0.00 0.29 -1.72 0.00 0.00 179.24 178.58 3igj n LYS 7 N -4.31 0.23 0.00 3.56 5.02 -0.56 -2.23 118.16 119.87 3igj n LYS 7 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3igj n LYS 7 Cb 0.38 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3igj n LYS 7 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3igj n LEU 9 N 0.79 0.00 -0.21 -0.35 4.77 -0.71 -0.96 117.00 120.33 3igj n LEU 9 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3igj n LEU 9 Cb 0.10 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 41.93 3igj n LEU 9 CO 0.00 0.00 0.99 0.00 -1.33 0.00 0.00 177.39 177.05 3igj n ALA 10 N 0.00 2.63 -0.95 -1.18 0.00 -0.95 -4.76 120.51 115.30 3igj n ALA 10 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3igj n ALA 10 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 3igj n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3igj n GLY 11 N 1.06 0.50 0.00 0.00 0.00 -0.86 -5.08 105.19 100.80 3igj n GLY 11 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3igj n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3igj n GLU 12 N -2.95 0.00 0.00 1.61 1.02 -0.13 -4.50 120.64 115.68 3igj n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3igj n GLU 12 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3igj n GLU 12 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 3igj n TYR 14 N 0.00 0.00 -3.03 -0.32 4.11 0.02 -4.59 117.16 113.35 3igj n TYR 14 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.47 3igj n TYR 14 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.28 3igj n TYR 14 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 3igj s ILE 15 N -2.00 4.75 0.36 -3.48 1.01 -1.26 -1.47 121.20 119.11 3igj s ILE 15 Ca 0.00 0.40 0.07 0.00 0.00 0.00 0.00 60.65 61.11 3igj s ILE 15 Cb 0.00 -4.24 0.30 0.00 0.01 0.00 0.00 42.46 38.53 3igj s ILE 15 CO 0.00 -0.59 1.94 0.00 0.00 0.00 0.00 174.94 176.30 3igj h ALA 16 N 8.82 1.73 -0.45 9.38 0.00 -1.87 -1.56 119.26 135.30 3igj h ALA 16 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3igj h ALA 16 Cb 1.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3igj h ALA 16 CO 0.91 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 180.05 3igj n ASP 17 N -4.49 2.59 -4.65 0.00 8.00 -1.26 -4.30 116.55 112.44 3igj n ASP 17 Ca 0.12 -2.05 -0.62 0.00 0.71 0.00 0.00 54.79 52.95 3igj n ASP 17 Cb 0.27 -0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 40.95 3igj n ASP 17 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3igj n ASP 18 N 0.81 1.09 -0.23 -2.24 -0.08 -0.59 -4.70 116.55 110.61 3igj n ASP 18 Ca 0.16 1.15 0.17 0.00 -1.51 0.00 0.00 54.79 54.76 3igj n ASP 18 Cb 0.43 -0.97 0.49 0.00 2.34 0.00 0.00 41.12 43.41 3igj n ASP 18 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3igj h GLU 19 N 4.71 0.43 -0.44 -0.67 5.08 -1.90 0.16 114.58 121.96 3igj h GLU 19 Ca -0.47 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 3igj h GLU 19 Cb 1.38 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3igj h GLU 19 CO 0.85 0.29 -0.13 1.49 -1.00 0.00 0.00 179.01 180.51 3igj h GLU 20 N 0.45 0.86 -0.38 2.33 4.81 -1.96 -1.50 114.58 119.19 3igj h GLU 20 Ca 0.44 -0.34 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3igj h GLU 20 Cb 1.03 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3igj h GLU 20 CO -0.17 0.98 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.69 3igj h LEU 21 N 0.69 0.91 -0.82 1.64 3.38 -1.34 -0.62 115.31 119.14 3igj h LEU 21 Ca 0.11 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3igj h LEU 21 Cb 0.68 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3igj h LEU 21 CO 0.05 1.15 0.45 0.58 0.09 0.00 0.00 178.44 180.76 3igj h VAL 22 N 0.72 1.24 -0.11 1.22 2.07 -0.97 -1.27 116.25 119.14 3igj h VAL 22 Ca 0.07 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.84 3igj h VAL 22 Cb 0.90 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3igj h VAL 22 CO 0.08 0.27 -0.53 0.00 0.02 0.00 0.00 177.57 177.41 3igj h ALA 23 N 1.24 0.88 -0.53 1.67 0.00 -1.08 -1.92 119.26 119.52 3igj h ALA 23 Ca 0.29 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3igj h ALA 23 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3igj h ALA 23 CO -0.05 0.68 0.24 -0.44 0.00 0.00 0.00 179.25 179.69 3igj h ASP 24 N 0.25 0.70 -0.25 0.00 3.45 -0.58 -1.44 116.42 118.56 3igj h ASP 24 Ca 0.01 -0.14 -0.11 0.00 0.43 0.00 0.00 57.03 57.22 3igj h ASP 24 Cb 1.02 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.59 3igj h ASP 24 CO 0.09 0.65 -0.20 0.03 -1.57 0.00 0.00 179.24 178.24 3igj h ARG 25 N 0.71 0.71 -0.61 3.56 3.08 -0.97 -1.19 114.38 119.66 3igj h ARG 25 Ca 0.18 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3igj h ARG 25 Cb 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3igj h ARG 25 CO -0.02 0.86 0.07 0.28 -1.07 0.00 0.00 179.97 180.08 3igj h VAL 26 N 0.62 1.26 -0.55 2.04 2.07 -1.23 -1.51 116.25 118.97 3igj h VAL 26 Ca 0.09 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 3igj h VAL 26 Cb 0.68 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3igj h VAL 26 CO 0.05 0.39 0.18 -0.08 0.02 0.00 0.00 177.57 178.13 3igj h GLU 27 N 0.94 0.84 -0.50 1.57 4.22 -0.93 -2.39 114.58 118.35 3igj h GLU 27 Ca 0.18 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3igj h GLU 27 Cb 0.48 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3igj h GLU 27 CO 0.02 0.77 0.31 0.00 -2.18 0.00 0.00 179.01 177.93 3igj h ALA 28 N 1.04 0.63 -0.29 2.92 0.00 -0.96 -1.47 119.26 121.14 3igj h ALA 28 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3igj h ALA 28 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3igj h ALA 28 CO -0.01 0.10 0.12 0.87 0.00 0.00 0.00 179.25 180.34 3igj h LYS 29 N 0.67 0.26 -0.93 0.00 1.57 -1.17 0.28 116.57 117.25 3igj h LYS 29 Ca 0.18 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3igj h LYS 29 Cb -0.03 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 3igj h LYS 29 CO -0.04 0.17 0.60 0.00 -0.57 0.00 0.00 179.45 179.62 3igj h ARG 30 N 0.27 1.24 -0.03 3.15 3.08 -0.89 -1.15 114.38 120.03 3igj h ARG 30 Ca 0.12 -0.09 -0.24 0.00 0.07 0.00 0.00 59.98 59.85 3igj h ARG 30 Cb 0.07 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 29.85 3igj h ARG 30 CO -0.10 0.83 -0.94 1.25 -1.07 0.00 0.00 179.97 179.94 3igj h LEU 31 N 1.27 0.78 -0.60 3.04 5.85 -1.07 -2.77 115.31 121.82 3igj h LEU 31 Ca 0.34 -0.59 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3igj h LEU 31 Cb -0.12 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.63 3igj h LEU 31 CO -0.07 1.39 0.36 0.74 -0.34 0.00 0.00 178.44 180.52 3igj h THR 32 N 0.36 1.07 -0.69 1.05 2.02 -0.12 0.50 112.91 117.10 3igj h THR 32 Ca -0.09 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 66.89 3igj h THR 32 Cb 1.58 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 3igj h THR 32 CO 0.18 0.13 0.40 -0.09 0.37 0.00 0.00 175.52 176.51 3igj h ARG 33 N 0.72 0.72 -0.22 6.66 2.43 -1.15 0.14 114.38 123.68 3igj h ARG 33 Ca 0.24 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3igj h ARG 33 Cb 0.02 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3igj h ARG 33 CO -0.10 0.47 0.04 -0.07 -1.51 0.00 0.00 179.97 178.81 3igj h LEU 34 N 0.74 0.34 -0.02 3.80 3.38 -1.13 -2.33 115.31 120.09 3igj h LEU 34 Ca 0.30 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3igj h LEU 34 Cb 0.16 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3igj h LEU 34 CO -0.17 0.50 -0.26 0.22 0.09 0.00 0.00 178.44 178.82 3igj h TYR 35 N 0.17 -0.69 -0.70 1.13 5.03 -0.50 0.09 116.97 121.51 3igj h TYR 35 Ca 0.07 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.48 3igj h TYR 35 Cb 0.30 0.31 -0.06 0.00 1.55 0.00 0.00 36.73 38.82 3igj h TYR 35 CO 0.02 -0.35 0.37 -0.91 -1.32 0.00 0.00 178.16 175.97 3igj h ASN 36 N -0.39 0.52 -0.84 -2.11 2.35 -0.69 0.53 115.58 114.95 3igj h ASN 36 Ca 0.07 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3igj h ASN 36 Cb 0.48 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 3igj h ASN 36 CO -0.24 0.32 0.49 -0.08 -1.65 0.00 0.00 177.43 176.27 3igj h GLU 37 N 0.65 1.15 -0.49 0.81 4.81 -1.07 0.94 114.58 121.39 3igj h GLU 37 Ca 0.33 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3igj h GLU 37 Cb 0.28 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3igj h GLU 37 CO -0.23 0.82 0.08 0.00 -0.73 0.00 0.00 179.01 178.95 3igj h ALA 38 N 1.27 0.66 -0.13 2.92 0.00 0.90 -1.25 119.26 123.62 3igj h ALA 38 Ca 0.30 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3igj h ALA 38 Cb -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3igj h ALA 38 CO -0.05 0.39 -0.70 -0.24 0.00 0.00 0.00 179.25 178.65 3igj h VAL 39 N 0.69 1.31 -0.95 0.00 3.04 -0.77 0.62 116.25 120.19 3igj h VAL 39 Ca 0.15 -1.93 0.07 0.00 -1.01 0.00 0.00 66.70 63.97 3igj h VAL 39 Cb 0.40 2.06 -0.06 0.00 -2.01 0.00 0.00 31.29 31.68 3igj h VAL 39 CO 0.01 0.60 0.62 -0.08 -1.01 0.00 0.00 177.57 177.71 3igj h GLU 40 N 0.40 1.07 -0.30 4.17 4.81 -0.71 -1.95 114.58 122.07 3igj h GLU 40 Ca -0.05 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3igj h GLU 40 Cb 1.33 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3igj h GLU 40 CO 0.14 0.71 0.00 0.25 -0.73 0.00 0.00 179.01 179.38 3igj n THR 41 N -4.50 0.38 -1.72 0.32 -2.24 -0.48 -4.93 114.28 101.11 3igj n THR 41 Ca 0.15 -0.55 -0.06 0.00 -2.27 0.00 0.00 64.05 61.32 3igj n THR 41 Cb 0.19 0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3igj n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3igj n GLY 42 N 1.30 0.42 3.77 3.38 0.00 -0.73 -5.01 105.19 108.31 3igj n GLY 42 Ca 0.17 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 3igj n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3igj s ASP 43 N -2.82 7.38 0.23 1.61 2.15 0.16 -4.95 116.67 120.44 3igj s ASP 43 Ca 0.00 1.92 -0.08 0.00 0.43 0.00 0.00 52.55 54.82 3igj s ASP 43 Cb 0.00 -2.59 0.23 0.00 -0.30 0.00 0.00 42.92 40.26 3igj s ASP 43 CO 0.00 -0.04 1.89 -0.08 -0.17 0.00 0.00 175.17 176.77 3igj h GLU 44 N 3.46 1.10 0.00 4.34 4.57 -1.95 -2.54 114.58 123.56 3igj h GLU 44 Ca -0.46 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3igj h GLU 44 Cb 1.20 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 3igj h GLU 44 CO 0.66 0.73 0.00 0.54 -1.18 0.00 0.00 179.01 179.76 3igj n ARG 45 N -4.51 0.19 -0.31 1.92 3.00 -1.26 -2.65 116.66 113.04 3igj n ARG 45 Ca 0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 57.99 3igj n ARG 45 Cb 0.05 -1.44 0.20 0.00 0.00 0.00 0.00 32.46 31.27 3igj n ARG 45 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 3igj h ARG 46 N 0.00 0.79 -0.33 5.56 0.11 -1.74 -1.54 114.38 117.23 3igj h ARG 46 Ca 0.00 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 3igj h ARG 46 Cb 0.00 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 30.89 3igj h ARG 46 CO 0.00 0.52 0.10 0.74 0.10 0.00 0.00 179.97 181.44 3igj h PHE 47 N 0.82 0.53 -0.46 4.08 0.04 -1.78 0.14 116.94 120.31 3igj h PHE 47 Ca 0.43 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 61.13 3igj h PHE 47 Cb 0.44 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3igj h PHE 47 CO -0.05 0.53 0.20 1.79 -0.60 0.00 0.00 178.31 180.18 3igj h THR 48 N 0.38 1.17 -0.16 -1.55 1.35 -1.64 0.73 112.91 113.18 3igj h THR 48 Ca 0.11 -0.50 -0.04 0.00 -0.55 0.00 0.00 66.41 65.43 3igj h THR 48 Cb 0.25 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.27 3igj h THR 48 CO -0.00 0.20 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.35 3igj h LEU 49 N 0.65 0.32 -1.45 3.87 3.38 -0.94 -3.07 115.31 118.07 3igj h LEU 49 Ca 0.16 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.80 3igj h LEU 49 Cb 0.10 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3igj h LEU 49 CO -0.02 0.62 0.42 0.25 0.09 0.00 0.00 178.44 179.80 3igj h LEU 50 N 0.02 0.61 -1.31 1.67 5.85 -0.09 -1.75 115.31 120.31 3igj h LEU 50 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3igj h LEU 50 Cb 0.48 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3igj h LEU 50 CO 0.02 0.41 0.00 0.78 -0.34 0.00 0.00 178.44 179.31 3igj h ASN 51 N 0.70 0.00 1.68 1.25 2.35 -0.83 -0.90 115.58 119.83 3igj h ASN 51 Ca 0.26 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 3igj h ASN 51 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3igj h ASN 51 CO -0.08 0.00 -0.33 1.56 -1.65 0.00 0.00 177.43 176.94 3igj h GLN 52 N 0.00 0.00 0.00 0.81 1.08 -1.24 -3.39 115.11 112.37 3igj h GLN 52 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 3igj h GLN 52 Cb 0.56 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 3igj h GLN 52 CO 0.00 0.31 -0.56 1.25 -0.95 0.00 0.00 178.83 178.88 3igj h LEU 53 N 0.00 0.00-10.07 1.46 5.85 -0.90 -3.47 115.31 108.17 3igj h LEU 53 Ca -0.00 -0.52 -0.48 0.00 0.84 0.00 0.00 57.88 57.72 3igj h LEU 53 Cb 1.24 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.31 3igj h LEU 53 CO 0.04 1.08 0.39 -0.76 -0.34 0.00 0.00 178.44 178.85 3igj s LEU 54 N -8.14 3.83 0.14 2.25 1.43 -0.45 -2.87 118.68 114.87 3igj s LEU 54 Ca -0.19 1.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.70 3igj s LEU 54 Cb 0.02 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.67 3igj s LEU 54 CO 0.48 -0.87 1.74 1.23 0.23 0.00 0.00 176.35 179.17 3igj h GLY 55 N 1.49 0.31 -3.84 -3.19 0.00 0.10 -3.43 103.07 94.52 3igj h GLY 55 Ca -0.50 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 46.84 3igj h GLY 55 CO 0.59 0.01 0.40 -1.35 0.00 0.00 0.00 176.54 176.19 3igj s SER 56 N -5.31 -0.46 0.10 0.19 1.04 -0.92 -4.99 113.70 103.35 3igj s SER 56 Ca -0.13 0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.65 3igj s SER 56 Cb 0.10 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 3igj s SER 56 CO 0.70 -0.57 -0.10 -0.94 0.98 0.00 0.00 173.24 173.31 3igj s SER 57 N -1.73 1.51 0.32 7.02 1.04 -1.25 -0.64 113.70 119.96 3igj s SER 57 Ca -0.02 -0.81 0.15 0.00 0.48 0.00 0.00 55.95 55.75 3igj s SER 57 Cb -0.01 0.00 0.45 0.00 0.10 0.00 0.00 66.02 66.57 3igj s SER 57 CO -0.01 -0.25 1.63 0.00 0.98 0.00 0.00 173.24 175.59 3igj h ALA 58 N 3.55 0.90 0.00 5.32 0.00 -1.05 -3.36 119.26 124.63 3igj h ALA 58 Ca -0.38 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3igj h ALA 58 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3igj h ALA 58 CO 0.53 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 180.01 3igj n ASP 59 N -3.56 0.55 -0.79 0.00 5.68 -1.26 -4.91 116.55 112.26 3igj n ASP 59 Ca -0.00 -1.01 -0.10 0.00 -0.50 0.00 0.00 54.79 53.18 3igj n ASP 59 Cb 0.60 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.53 3igj n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3igj n GLY 60 N -0.00 1.13 1.17 6.12 0.00 -1.26 -4.87 105.19 107.48 3igj n GLY 60 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.75 3igj n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3igj n LYS 61 N -2.14 0.54 -1.86 1.61 4.01 -1.26 -4.83 118.16 114.23 3igj n LYS 61 Ca -0.10 -2.42 -0.41 0.00 -0.51 0.00 0.00 58.31 54.87 3igj n LYS 61 Cb 0.41 -0.56 -0.00 0.00 -0.51 0.00 0.00 35.03 34.36 3igj n LYS 61 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3igj s ALA 62 N -1.10 3.53 -0.35 7.82 0.00 -1.26 -4.76 121.76 125.64 3igj s ALA 62 Ca 0.35 1.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.75 3igj s ALA 62 Cb 0.37 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.96 3igj s ALA 62 CO -0.13 -0.99 0.12 -0.65 0.00 0.00 0.00 175.76 174.11 3igj s GLN 63 N -2.07 2.57 -0.18 0.00 -0.21 -0.04 -4.94 119.66 114.80 3igj s GLN 63 Ca 0.53 -1.25 -0.00 0.00 0.02 0.00 0.00 55.36 54.66 3igj s GLN 63 Cb -0.45 -3.48 0.04 0.00 1.00 0.00 0.00 33.01 30.12 3igj s GLN 63 CO 0.61 -0.71 -0.05 0.42 -2.12 0.00 0.00 175.29 173.43 3igj s ILE 64 N 1.38 1.16 0.77 1.08 1.01 -1.26 -0.71 121.20 124.63 3igj s ILE 64 Ca -0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 3igj s ILE 64 Cb -0.20 -1.36 0.05 0.00 0.01 0.00 0.00 42.46 40.96 3igj s ILE 64 CO 0.02 0.09 1.08 0.20 0.00 0.00 0.00 174.94 176.33 3igj s ASN 65 N 1.60 4.62 0.64 3.58 0.01 -0.18 -4.93 114.94 120.28 3igj s ASN 65 Ca -0.00 1.71 -0.12 0.00 -0.71 0.00 0.00 52.86 53.74 3igj s ASN 65 Cb -0.16 -2.46 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 3igj s ASN 65 CO -0.08 -1.95 1.04 -2.16 -1.51 0.00 0.00 177.10 172.45 3igj s PRO 66 N -4.95 3.29 -0.35 -0.60 0.04 -1.26 -3.56 135.00 127.60 3igj s PRO 66 Ca 0.61 0.92 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 3igj s PRO 66 Cb -0.16 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 3igj s PRO 66 CO 0.56 -0.82 0.31 -0.51 0.04 0.00 0.00 177.00 176.58 3igj s ASP 67 N -3.73 6.12 0.40 6.66 1.01 -1.26 -2.12 116.67 123.76 3igj s ASP 67 Ca 0.58 -0.42 -0.24 0.00 0.71 0.00 0.00 52.55 53.18 3igj s ASP 67 Cb -0.13 -2.17 -0.09 0.00 1.01 0.00 0.00 42.92 41.54 3igj s ASP 67 CO 0.50 -0.32 1.06 0.12 0.21 0.00 0.00 175.17 176.74 3igj s PHE 68 N 1.86 3.23 -0.00 4.23 2.19 -1.23 -3.80 117.98 124.46 3igj s PHE 68 Ca 0.09 1.63 -0.01 0.00 0.33 0.00 0.00 56.93 58.97 3igj s PHE 68 Cb -0.17 -3.15 -0.00 0.00 -1.31 0.00 0.00 43.02 38.39 3igj s PHE 68 CO 0.11 -0.70 0.01 1.03 1.83 0.00 0.00 175.22 177.50 3igj s ARG 69 N -2.52 0.08 0.05 10.12 0.52 -0.21 -4.94 118.95 122.05 3igj s ARG 69 Ca 0.58 -0.11 -0.14 0.00 -0.52 0.00 0.00 55.73 55.54 3igj s ARG 69 Cb -0.22 0.03 0.02 0.00 0.52 0.00 0.00 34.95 35.30 3igj s ARG 69 CO 0.28 -0.01 0.31 0.00 0.02 0.00 0.00 175.30 175.90 3igj h ASP 71 N 3.13 -0.84 0.00 0.00 3.45 -1.89 -3.44 116.42 116.84 3igj h ASP 71 Ca -0.32 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.15 3igj h ASP 71 Cb 1.20 0.22 0.00 0.00 -0.56 0.00 0.00 39.33 40.19 3igj h ASP 71 CO 0.46 -0.53 -0.91 -1.22 -1.57 0.00 0.00 179.24 175.47 3igj n TYR 72 N -5.47 0.00 0.00 4.55 4.02 -1.26 -4.34 117.16 114.66 3igj n TYR 72 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 3igj n TYR 72 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 3igj n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3igj n GLY 73 N 3.14 2.07 0.00 2.72 0.00 -1.26 -4.75 105.19 107.12 3igj n GLY 73 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.79 3igj n GLY 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3igj n TYR 74 N 0.00 0.00 1.07 1.61 0.18 -1.14 -1.58 117.16 117.30 3igj n TYR 74 Ca 0.00 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.87 3igj n TYR 74 Cb 0.00 -0.50 0.31 0.00 -0.38 0.00 0.00 39.34 38.77 3igj n TYR 74 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3igj n ASN 75 N -1.50 1.86 -4.57 9.48 3.02 -1.26 -3.68 115.26 118.62 3igj n ASN 75 Ca 0.04 -1.80 -0.36 0.00 -0.03 0.00 0.00 54.58 52.43 3igj n ASN 75 Cb 0.19 -0.15 -0.11 0.00 -0.61 0.00 0.00 39.78 39.10 3igj n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3igj s ILE 76 N -1.70 4.75 -0.18 2.41 1.01 -0.61 -0.13 121.20 126.75 3igj s ILE 76 Ca 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.91 3igj s ILE 76 Cb 0.17 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.49 3igj s ILE 76 CO 0.24 0.38 -0.02 -1.00 0.00 0.00 0.00 174.94 174.54 3igj s HIS 77 N 1.06 1.58 0.08 3.97 3.76 -0.06 -0.62 115.29 125.05 3igj s HIS 77 Ca 0.05 -1.10 0.05 0.00 -0.15 0.00 0.00 55.06 53.91 3igj s HIS 77 Cb -0.14 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.26 3igj s HIS 77 CO 0.04 -0.63 -0.06 0.14 -0.85 0.00 0.00 174.74 173.37 3igj s VAL 78 N 1.67 3.64 0.00 -0.90 -7.23 0.18 -0.72 120.40 117.04 3igj s VAL 78 Ca -0.01 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 3igj s VAL 78 Cb -0.16 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.09 3igj s VAL 78 CO -0.07 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 3igj n GLY 79 N 0.86 -0.87 3.87 2.32 0.00 0.61 -1.12 105.19 110.88 3igj n GLY 79 Ca -0.13 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 3igj n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3igj s LYS 80 N 0.00 3.74 -1.50 1.61 -2.85 -1.26 -3.08 119.74 116.40 3igj s LYS 80 Ca 0.00 0.58 -0.08 0.00 -1.00 0.00 0.00 55.97 55.47 3igj s LYS 80 Cb 0.00 -2.27 0.06 0.00 -2.06 0.00 0.00 37.83 33.56 3igj s LYS 80 CO 0.00 -0.22 0.69 0.43 0.10 0.00 0.00 175.35 176.34 3igj n SER 81 N -1.82 -2.25 -4.74 0.03 7.64 -1.26 -0.58 113.62 110.64 3igj n SER 81 Ca 0.04 -0.93 -0.41 0.00 1.01 0.00 0.00 58.87 58.58 3igj n SER 81 Cb 0.54 -3.32 -0.03 0.00 -1.01 0.00 0.00 64.21 60.39 3igj n SER 81 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3igj s PHE 82 N -3.59 3.32 -0.03 1.43 5.36 -1.26 -4.16 117.98 119.04 3igj s PHE 82 Ca 0.35 1.37 0.01 0.00 -0.96 0.00 0.00 56.93 57.70 3igj s PHE 82 Cb -0.18 -3.52 0.01 0.00 -0.34 0.00 0.00 43.02 38.99 3igj s PHE 82 CO 0.87 -1.50 -0.05 0.12 -1.46 0.00 0.00 175.22 173.20 3igj s PHE 83 N -0.27 0.71 -0.05 10.12 5.36 -0.92 -0.86 117.98 132.08 3igj s PHE 83 Ca 0.53 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 3igj s PHE 83 Cb -0.35 -0.59 0.02 0.00 -0.34 0.00 0.00 43.02 41.77 3igj s PHE 83 CO 0.40 -0.13 -0.02 0.00 -1.46 0.00 0.00 175.22 174.01 3igj s ALA 84 N 0.58 0.58 0.95 11.12 0.00 0.11 -0.40 121.76 134.71 3igj s ALA 84 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3igj s ALA 84 Cb -0.11 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3igj s ALA 84 CO 0.00 -0.15 0.00 -1.71 0.00 0.00 0.00 175.76 173.91 3igj n ASN 85 N 4.36 0.00 -4.70 0.00 2.85 -0.11 -1.02 115.26 116.65 3igj n ASN 85 Ca -0.21 -0.49 -0.43 0.00 -0.11 0.00 0.00 54.58 53.34 3igj n ASN 85 Cb 0.50 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.51 3igj n ASN 85 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3igj n PHE 86 N -0.96 2.37 -3.44 1.20 3.01 -1.26 -3.83 117.46 114.54 3igj n PHE 86 Ca 0.00 0.46 -0.19 0.00 1.01 0.00 0.00 57.45 58.73 3igj n PHE 86 Cb 0.00 -2.46 0.08 0.00 -0.01 0.00 0.00 39.48 37.09 3igj n PHE 86 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3igj n ASN 87 N 1.43 -3.65 -4.79 4.37 5.03 -0.90 -0.60 115.26 116.14 3igj n ASN 87 Ca 0.07 -0.56 -0.38 0.00 0.87 0.00 0.00 54.58 54.58 3igj n ASN 87 Cb 0.35 -4.90 -0.06 0.00 -1.02 0.00 0.00 39.78 34.14 3igj n ASN 87 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3igj s VAL 89 N -1.31 2.78 -0.25 0.00 1.01 -0.80 -1.05 120.40 120.78 3igj s VAL 89 Ca 0.39 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3igj s VAL 89 Cb -0.20 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.07 3igj s VAL 89 CO 0.23 0.52 -0.10 -0.63 0.00 0.00 0.00 175.10 175.12 3igj s ILE 90 N 0.69 2.00 -0.91 2.22 1.01 0.28 -1.03 121.20 125.47 3igj s ILE 90 Ca -0.07 -1.48 -0.20 0.00 0.00 0.00 0.00 60.65 58.91 3igj s ILE 90 Cb -0.16 -2.12 0.11 0.00 0.01 0.00 0.00 42.46 40.31 3igj s ILE 90 CO 0.02 -0.00 1.15 -0.76 0.00 0.00 0.00 174.94 175.35 3igj s LEU 91 N 1.19 4.77 -0.92 2.97 1.43 -0.33 -2.82 118.68 124.98 3igj s LEU 91 Ca -0.07 -1.84 -0.04 0.00 -1.03 0.00 0.00 54.13 51.15 3igj s LEU 91 Cb -0.19 -2.42 0.16 0.00 0.03 0.00 0.00 46.19 43.76 3igj s LEU 91 CO -0.06 -1.17 2.40 -0.90 0.23 0.00 0.00 176.35 176.85 3igj n ASP 92 N 6.99 7.33 -0.09 2.29 3.85 -1.26 -1.55 116.55 134.11 3igj n ASP 92 Ca 0.22 -3.33 -0.01 0.00 -0.71 0.00 0.00 54.79 50.96 3igj n ASP 92 Cb 0.49 -1.25 0.26 0.00 -1.35 0.00 0.00 41.12 39.26 3igj n ASP 92 CO 0.00 0.00 0.00 -0.37 -1.01 0.00 0.00 177.20 175.82 3igj h VAL 93 N 2.26 1.20 -1.17 2.12 -1.51 -1.92 -3.41 116.25 113.82 3igj h VAL 93 Ca 0.55 -0.66 -0.58 0.00 -1.23 0.00 0.00 66.70 64.78 3igj h VAL 93 Cb 0.42 0.64 -0.08 0.00 -2.13 0.00 0.00 31.29 30.13 3igj h VAL 93 CO 1.22 0.25 -0.44 0.00 -1.23 0.00 0.00 177.57 177.36 3igj n GLU 95 N -1.39 1.60 -4.00 0.00 2.13 -1.26 -4.82 120.64 112.90 3igj n GLU 95 Ca -0.03 0.57 -0.33 0.00 0.66 0.00 0.00 57.16 58.03 3igj n GLU 95 Cb 0.65 -2.08 -0.14 0.00 0.27 0.00 0.00 31.44 30.14 3igj n GLU 95 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3igj s VAL 96 N -0.57 2.44 -0.23 6.31 1.01 0.82 -1.55 120.40 128.63 3igj s VAL 96 Ca 0.64 -1.81 -0.08 0.00 0.00 0.00 0.00 61.98 60.73 3igj s VAL 96 Cb -0.71 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3igj s VAL 96 CO 0.56 -0.24 0.10 -0.60 0.00 0.00 0.00 175.10 174.91 3igj s ARG 97 N 1.08 3.88 -0.09 2.72 3.52 -0.71 -0.88 118.95 128.47 3igj s ARG 97 Ca -0.02 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 3igj s ARG 97 Cb -0.20 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3igj s ARG 97 CO -0.05 0.02 -0.20 0.42 -0.81 0.00 0.00 175.30 174.68 3igj s ILE 98 N 1.10 1.73 0.00 4.11 1.01 0.10 -0.32 121.20 128.93 3igj s ILE 98 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3igj s ILE 98 Cb -0.14 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3igj s ILE 98 CO 0.04 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3igj n GLY 99 N 3.65 -2.26 3.89 6.18 0.00 -0.25 -0.28 105.19 116.11 3igj n GLY 99 Ca -0.20 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3igj n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3igj s ASP 100 N -1.54 6.55 -1.49 1.61 -0.00 -1.26 -2.25 116.67 118.29 3igj s ASP 100 Ca 0.00 0.82 -0.07 0.00 -0.00 0.00 0.00 52.55 53.30 3igj s ASP 100 Cb 0.00 -2.18 0.02 0.00 -0.00 0.00 0.00 42.92 40.75 3igj s ASP 100 CO 0.00 -0.10 0.77 1.41 -0.00 0.00 0.00 175.17 177.26 3igj n HIS 101 N -0.36 -2.22 -2.21 4.23 8.25 0.25 -0.64 115.22 122.52 3igj n HIS 101 Ca -0.01 0.67 -0.03 0.00 -0.26 0.00 0.00 57.72 58.09 3igj n HIS 101 Cb 0.53 -4.49 0.02 0.00 1.12 0.00 0.00 29.99 27.16 3igj n HIS 101 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3igj s PHE 104 N -0.28 -0.95 1.02 0.00 0.08 0.47 -2.17 117.98 116.15 3igj s PHE 104 Ca 0.09 1.92 -0.17 0.00 0.12 0.00 0.00 56.93 58.88 3igj s PHE 104 Cb -0.00 0.56 0.23 0.00 -0.57 0.00 0.00 43.02 43.24 3igj s PHE 104 CO 0.06 -0.47 1.34 0.00 -0.10 0.00 0.00 175.22 176.05 3igj s ALA 105 N 1.52 2.02 0.58 5.36 0.00 -0.37 -0.93 121.76 129.93 3igj s ALA 105 Ca -0.09 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 50.35 3igj s ALA 105 Cb -0.05 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 3igj s ALA 105 CO -0.18 -2.70 1.28 -2.14 0.00 0.00 0.00 175.76 172.02 3igj s PRO 106 N -5.94 3.01 -0.08 0.00 0.02 -1.26 -3.54 135.00 127.21 3igj s PRO 106 Ca 0.77 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.83 3igj s PRO 106 Cb -0.02 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3igj s PRO 106 CO 0.54 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3igj n GLY 107 N 0.69 0.46 3.76 0.52 0.00 0.23 -0.98 105.19 109.86 3igj n GLY 107 Ca 0.12 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3igj n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3igj s VAL 108 N -1.86 2.84 -0.10 1.61 1.01 -1.23 -3.87 120.40 118.81 3igj s VAL 108 Ca 0.00 0.78 0.03 0.00 0.00 0.00 0.00 61.98 62.79 3igj s VAL 108 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3igj s VAL 108 CO 0.00 0.16 -0.21 -1.00 0.00 0.00 0.00 175.10 174.05 3igj s HIS 109 N -0.61 2.30 -0.23 5.22 3.76 -0.57 -1.90 115.29 123.27 3igj s HIS 109 Ca 0.53 -0.95 -0.04 0.00 -0.15 0.00 0.00 55.06 54.45 3igj s HIS 109 Cb -0.39 -1.56 -0.00 0.00 1.11 0.00 0.00 32.58 31.73 3igj s HIS 109 CO 0.47 -0.40 -0.04 0.42 -0.85 0.00 0.00 174.74 174.34 3igj s ILE 110 N 0.47 3.30 -0.20 0.60 -1.09 -0.20 -0.42 121.20 123.66 3igj s ILE 110 Ca -0.17 -0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 57.60 3igj s ILE 110 Cb -0.17 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 3igj s ILE 110 CO 0.07 0.36 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.81 3igj s TYR 111 N 1.45 3.00 -0.81 3.97 2.02 0.07 -1.18 117.35 125.87 3igj s TYR 111 Ca 0.05 -0.60 0.19 0.00 -0.37 0.00 0.00 57.07 56.33 3igj s TYR 111 Cb -0.15 -2.07 -0.21 0.00 -0.40 0.00 0.00 41.96 39.13 3igj s TYR 111 CO -0.03 -0.32 0.76 0.25 -1.57 0.00 0.00 175.55 174.64 3igj n THR 112 N 4.32 0.00 -2.95 -0.71 -2.24 -0.60 -1.19 114.28 110.91 3igj n THR 112 Ca -0.17 -0.09 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 3igj n THR 112 Cb 0.52 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 3igj n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3igj s ALA 113 N -2.81 3.40 0.30 6.98 0.00 -1.25 -0.97 121.76 127.41 3igj s ALA 113 Ca 0.06 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3igj s ALA 113 Cb 0.14 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.25 3igj s ALA 113 CO 0.77 0.18 0.38 -2.37 0.00 0.00 0.00 175.76 174.72 3igj n THR 114 N 2.13 0.00 -4.11 0.00 5.66 -0.20 -4.80 114.28 112.95 3igj n THR 114 Ca -0.04 -1.68 -0.10 0.00 -3.05 0.00 0.00 64.05 59.18 3igj n THR 114 Cb 0.49 0.97 -0.10 0.00 -1.55 0.00 0.00 70.33 70.14 3igj n THR 114 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3igj s HIS 115 N -3.19 0.69 0.50 1.09 3.76 -1.26 -3.13 115.29 113.75 3igj s HIS 115 Ca 0.27 -0.82 -0.23 0.00 -0.15 0.00 0.00 55.06 54.14 3igj s HIS 115 Cb -0.00 -0.43 -0.07 0.00 1.11 0.00 0.00 32.58 33.19 3igj s HIS 115 CO 0.20 -0.19 1.25 -2.30 -0.85 0.00 0.00 174.74 172.84 3igj n PRO 116 N 0.51 1.65 0.16 8.40 -0.02 -1.26 -4.94 135.00 139.49 3igj n PRO 116 Ca -0.16 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 3igj n PRO 116 Cb 0.59 -2.41 0.20 0.00 -0.02 0.00 0.00 33.50 31.85 3igj n PRO 116 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3igj h LEU 117 N 1.54 0.00 -9.65 2.45 4.07 -2.01 -3.41 115.31 108.31 3igj h LEU 117 Ca -0.49 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 56.91 3igj h LEU 117 Cb 1.31 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.01 3igj h LEU 117 CO 0.57 0.50 0.03 -1.00 -1.08 0.00 0.00 178.44 177.46 3igj s HIS 118 N -3.37 3.79 0.23 1.13 3.76 -1.26 -4.97 115.29 114.61 3igj s HIS 118 Ca 0.01 1.35 -0.08 0.00 -0.15 0.00 0.00 55.06 56.19 3igj s HIS 118 Cb 0.10 -2.61 0.20 0.00 1.11 0.00 0.00 32.58 31.39 3igj s HIS 118 CO 0.72 0.49 1.88 -1.35 -0.85 0.00 0.00 174.74 175.63 3igj h PRO 119 N 4.86 1.19 -0.08 8.40 0.11 -1.98 0.56 132.00 145.06 3igj h PRO 119 Ca -0.48 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 65.51 3igj h PRO 119 Cb 1.21 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3igj h PRO 119 CO 0.66 0.82 -0.06 0.28 -0.21 0.00 0.00 178.00 179.50 3igj h VAL 120 N 1.20 1.35 -0.52 3.15 2.07 -1.97 0.16 116.25 121.69 3igj h VAL 120 Ca 0.32 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3igj h VAL 120 Cb -0.06 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3igj h VAL 120 CO -0.06 0.32 0.18 -0.08 0.02 0.00 0.00 177.57 177.95 3igj h GLU 121 N -0.23 0.80 -0.48 1.57 4.81 -1.89 -2.51 114.58 116.64 3igj h GLU 121 Ca 0.01 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3igj h GLU 121 Cb 0.53 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3igj h GLU 121 CO 0.01 0.73 0.32 -0.09 -0.73 0.00 0.00 179.01 179.25 3igj h ARG 122 N 0.71 0.58 -0.36 1.92 2.43 -0.68 -2.12 114.38 116.87 3igj h ARG 122 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3igj h ARG 122 Cb 0.24 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3igj h ARG 122 CO -0.01 0.38 0.00 0.09 -1.51 0.00 0.00 179.97 178.92 3igj n ASN 123 N -4.47 2.04 -0.18 -3.80 3.02 0.55 -4.36 115.26 108.06 3igj n ASN 123 Ca 0.05 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 3igj n ASN 123 Cb 0.10 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3igj n ASN 123 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3igj n SER 124 N 0.61 0.37 0.00 6.41 3.41 -0.80 -4.81 113.62 118.81 3igj n SER 124 Ca 0.13 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3igj n SER 124 Cb 0.33 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3igj n SER 124 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3igj n GLY 125 N 0.35 0.40 3.67 5.00 0.00 -1.26 -4.99 105.19 108.37 3igj n GLY 125 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3igj n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3igj s LYS 126 N -0.60 2.66 0.26 1.61 1.02 -1.26 -2.70 119.74 120.74 3igj s LYS 126 Ca 0.00 -0.71 -0.03 0.00 0.02 0.00 0.00 55.97 55.25 3igj s LYS 126 Cb 0.00 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.73 3igj s LYS 126 CO 0.00 0.59 0.39 -0.85 -0.92 0.00 0.00 175.35 174.56 3igj n GLU 127 N 1.10 0.57 -3.84 1.68 0.28 -0.54 -4.75 120.64 115.14 3igj n GLU 127 Ca -0.13 -1.98 -0.10 0.00 -0.16 0.00 0.00 57.16 54.79 3igj n GLU 127 Cb 0.52 1.99 0.02 0.00 1.43 0.00 0.00 31.44 35.40 3igj n GLU 127 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 3igj s TYR 128 N -3.58 0.28 0.14 -1.84 -0.85 -1.18 -0.80 117.35 109.52 3igj s TYR 128 Ca 0.20 -0.92 -0.08 0.00 -0.52 0.00 0.00 57.07 55.75 3igj s TYR 128 Cb -0.01 0.73 -0.01 0.00 0.38 0.00 0.00 41.96 43.05 3igj s TYR 128 CO 0.14 -1.55 0.24 0.20 -1.52 0.00 0.00 175.55 173.06 3igj s GLY 129 N -3.11 0.46 -0.09 5.49 0.00 -1.26 -1.04 107.32 107.78 3igj s GLY 129 Ca 0.18 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 44.00 3igj s GLY 129 CO 0.13 -0.90 -0.10 0.54 0.00 0.00 0.00 173.10 172.78 3igj s LYS 130 N -3.96 1.57 0.94 2.90 1.02 -0.14 -4.41 119.74 117.66 3igj s LYS 130 Ca 0.15 -0.32 -0.10 0.00 0.02 0.00 0.00 55.97 55.72 3igj s LYS 130 Cb 0.04 -1.46 0.16 0.00 -0.52 0.00 0.00 37.83 36.06 3igj s LYS 130 CO -0.02 -0.12 1.13 -1.25 -0.92 0.00 0.00 175.35 174.17 3igj s PRO 131 N 1.17 0.80 -0.03 -1.68 0.04 -1.26 -1.40 135.00 132.63 3igj s PRO 131 Ca -0.05 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.46 3igj s PRO 131 Cb -0.14 -1.71 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 3igj s PRO 131 CO -0.02 -2.74 -0.15 0.08 0.04 0.00 0.00 177.00 174.20 3igj s VAL 132 N -2.64 1.27 -0.09 -0.36 1.01 -0.59 -1.92 120.40 117.08 3igj s VAL 132 Ca 0.67 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.03 3igj s VAL 132 Cb -0.23 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3igj s VAL 132 CO 0.59 0.37 -0.13 -0.75 0.00 0.00 0.00 175.10 175.18 3igj s LYS 133 N -0.00 1.89 -0.09 2.72 2.20 -0.76 -1.73 119.74 123.97 3igj s LYS 133 Ca -0.02 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.17 3igj s LYS 133 Cb -0.10 -1.63 0.01 0.00 -1.51 0.00 0.00 37.83 34.60 3igj s LYS 133 CO 0.01 -0.05 -0.19 0.42 -0.36 0.00 0.00 175.35 175.19 3igj s ILE 134 N 0.93 1.66 0.00 5.43 1.01 0.56 -0.16 121.20 130.63 3igj s ILE 134 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3igj s ILE 134 Cb -0.15 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.86 3igj s ILE 134 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3igj n GLY 135 N 3.68 0.34 3.94 6.18 0.00 0.27 -1.09 105.19 118.51 3igj n GLY 135 Ca -0.21 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 3igj n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3igj s ASN 136 N -1.14 6.36 -1.33 1.61 0.01 -1.26 -2.19 114.94 116.99 3igj s ASN 136 Ca 0.00 0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.42 3igj s ASN 136 Cb 0.00 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.71 3igj s ASN 136 CO 0.00 0.01 0.00 0.59 -1.51 0.00 0.00 177.10 176.19 3igj n ASN 137 N -0.60 -4.52 -4.73 -1.22 3.02 0.18 -0.43 115.26 106.96 3igj n ASN 137 Ca -0.06 0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 3igj n ASN 137 Cb 0.54 -3.84 -0.05 0.00 -0.61 0.00 0.00 39.78 35.82 3igj n ASN 137 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3igj s VAL 138 N -2.71 4.63 -0.25 2.41 1.01 -1.26 -3.90 120.40 120.34 3igj s VAL 138 Ca 0.00 1.86 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 3igj s VAL 138 Cb 0.00 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.19 3igj s VAL 138 CO 0.00 0.33 -0.07 0.86 0.00 0.00 0.00 175.10 176.22 3igj s TRP 139 N 0.04 3.07 -0.35 5.22 -0.00 -0.86 -4.32 118.94 121.75 3igj s TRP 139 Ca 0.43 -1.63 -0.13 0.00 -0.00 0.00 0.00 56.10 54.77 3igj s TRP 139 Cb -0.22 -2.04 -0.01 0.00 -0.00 0.00 0.00 33.47 31.20 3igj s TRP 139 CO 0.26 -0.75 0.25 0.08 -0.00 0.00 0.00 176.95 176.79 3igj s VAL 140 N 1.30 5.27 0.90 5.86 1.01 -1.26 -0.40 120.40 133.09 3igj s VAL 140 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 3igj s VAL 140 Cb -0.17 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.61 3igj s VAL 140 CO -0.05 -0.04 1.09 -0.83 0.00 0.00 0.00 175.10 175.27 3igj s GLY 141 N 1.72 1.61 0.32 4.51 0.00 0.96 -1.24 107.32 115.20 3igj s GLY 141 Ca 0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 44.72 44.39 3igj s GLY 141 CO 0.10 0.40 1.55 -0.32 0.00 0.00 0.00 173.10 174.83 3igj s GLY 142 N -3.45 2.45 -0.14 0.20 0.00 -1.26 -2.37 107.32 102.74 3igj s GLY 142 Ca 0.63 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.92 3igj s GLY 142 CO 0.57 2.43 0.00 0.61 0.00 0.00 0.00 173.10 176.71 3igj n GLY 143 N 1.49 0.37 3.78 0.20 0.00 -0.16 -0.48 105.19 110.39 3igj n GLY 143 Ca 0.05 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3igj n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igj s ALA 144 N -1.60 2.53 -0.16 4.61 0.00 -1.00 -4.10 121.76 122.03 3igj s ALA 144 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3igj s ALA 144 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.83 3igj s ALA 144 CO 0.00 -1.18 -0.19 0.42 0.00 0.00 0.00 175.76 174.81 3igj s ILE 145 N -2.34 1.98 -0.39 0.00 1.01 -0.03 -1.51 121.20 119.92 3igj s ILE 145 Ca 0.67 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 3igj s ILE 145 Cb -0.20 -1.78 0.03 0.00 0.01 0.00 0.00 42.46 40.51 3igj s ILE 145 CO 0.40 0.53 0.24 -0.63 0.00 0.00 0.00 174.94 175.48 3igj s ILE 146 N 1.21 4.80 0.76 2.92 -1.09 0.44 -0.22 121.20 130.00 3igj s ILE 146 Ca 0.02 -0.81 -0.11 0.00 -2.23 0.00 0.00 60.65 57.52 3igj s ILE 146 Cb -0.14 -3.68 0.05 0.00 -1.58 0.00 0.00 42.46 37.11 3igj s ILE 146 CO -0.10 -0.27 1.09 0.20 -1.23 0.00 0.00 174.94 174.63 3igj s ASN 147 N 1.60 4.87 0.41 3.58 0.01 -0.92 -0.75 114.94 123.74 3igj s ASN 147 Ca 0.03 1.28 -0.25 0.00 -0.71 0.00 0.00 52.86 53.21 3igj s ASN 147 Cb -0.19 -2.05 -0.08 0.00 0.41 0.00 0.00 41.25 39.33 3igj s ASN 147 CO 0.08 -1.72 1.26 -2.84 -1.51 0.00 0.00 177.10 172.36 3igj s PRO 148 N -5.21 3.94 0.00 -0.60 0.02 -0.33 -2.74 135.00 130.08 3igj s PRO 148 Ca 0.60 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3igj s PRO 148 Cb -0.13 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.69 3igj s PRO 148 CO 0.54 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 177.14 3igj n GLY 149 N 0.66 1.13 3.76 0.52 0.00 -0.50 -4.88 105.19 105.87 3igj n GLY 149 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3igj n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3igj s VAL 150 N -3.59 4.02 -0.11 1.61 1.01 -1.11 -4.88 120.40 117.35 3igj s VAL 150 Ca 0.00 1.98 -0.01 0.00 0.00 0.00 0.00 61.98 63.95 3igj s VAL 150 Cb 0.00 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3igj s VAL 150 CO 0.00 0.43 -0.07 -0.44 0.00 0.00 0.00 175.10 175.01 3igj s SER 151 N -1.21 4.54 -0.16 3.32 0.01 -1.26 -1.82 113.70 117.11 3igj s SER 151 Ca 0.43 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.57 3igj s SER 151 Cb -0.26 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.54 3igj s SER 151 CO 0.32 0.26 -0.16 -0.63 0.41 0.00 0.00 173.24 173.44 3igj s ILE 152 N -0.20 2.53 0.73 1.44 -1.09 0.78 0.13 121.20 125.51 3igj s ILE 152 Ca 0.02 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.52 3igj s ILE 152 Cb -0.13 -2.07 0.03 0.00 -1.58 0.00 0.00 42.46 38.72 3igj s ILE 152 CO 0.03 0.52 1.09 -0.83 -1.23 0.00 0.00 174.94 174.51 3igj s GLY 153 N 0.95 1.79 0.24 6.18 0.00 0.15 -0.56 107.32 116.07 3igj s GLY 153 Ca -0.03 0.29 -0.28 0.00 0.00 0.00 0.00 44.72 44.70 3igj s GLY 153 CO -0.03 0.63 0.77 1.22 0.00 0.00 0.00 173.10 175.69 3igj n ASP 154 N -3.16 0.04 0.00 1.64 8.00 -1.26 -2.77 116.55 119.03 3igj n ASP 154 Ca 0.09 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.74 3igj n ASP 154 Cb 0.53 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 3igj n ASP 154 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3igj n ASN 155 N 1.61 -2.48 -4.76 -2.24 3.02 0.43 -0.38 115.26 110.47 3igj n ASN 155 Ca 0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.32 3igj n ASN 155 Cb 0.28 -1.77 0.01 0.00 -0.61 0.00 0.00 39.78 37.70 3igj n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3igj s ALA 156 N -1.88 2.81 -0.18 5.41 0.00 -1.12 -4.19 121.76 122.61 3igj s ALA 156 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.00 3igj s ALA 156 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3igj s ALA 156 CO 0.00 -0.94 -0.18 0.08 0.00 0.00 0.00 175.76 174.72 3igj s VAL 157 N -1.53 1.96 -0.26 0.00 1.01 0.38 -2.02 120.40 119.95 3igj s VAL 157 Ca 0.69 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 3igj s VAL 157 Cb -0.31 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3igj s VAL 157 CO 0.36 0.47 0.47 -0.63 0.00 0.00 0.00 175.10 175.76 3igj s ILE 158 N 1.32 5.11 0.71 2.22 -1.09 0.47 -1.18 121.20 128.75 3igj s ILE 158 Ca 0.04 0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 59.08 3igj s ILE 158 Cb -0.14 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 3igj s ILE 158 CO -0.12 0.12 1.22 0.00 -1.23 0.00 0.00 174.94 174.93 3igj s ALA 159 N 2.18 2.17 0.31 9.38 0.00 0.77 -0.03 121.76 136.55 3igj s ALA 159 Ca 0.19 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 3igj s ALA 159 Cb -0.16 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.36 3igj s ALA 159 CO 0.09 -1.81 1.28 -1.13 0.00 0.00 0.00 175.76 174.20 3igj n SER 160 N -2.56 2.59 0.00 0.00 3.41 -1.26 -2.21 113.62 113.58 3igj n SER 160 Ca 0.14 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 3igj n SER 160 Cb 0.50 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 3igj n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3igj n GLY 161 N 1.10 0.74 3.76 5.00 0.00 0.37 -4.78 105.19 111.37 3igj n GLY 161 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3igj n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igj s ALA 162 N -3.12 3.44 -0.47 4.61 0.00 -0.94 -4.75 121.76 120.53 3igj s ALA 162 Ca 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 3igj s ALA 162 Cb 0.00 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 19.85 3igj s ALA 162 CO 0.00 -0.35 0.35 0.08 0.00 0.00 0.00 175.76 175.85 3igj s VAL 163 N -0.96 4.26 -0.49 0.00 1.01 -0.45 -0.85 120.40 122.92 3igj s VAL 163 Ca 0.47 -1.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.46 3igj s VAL 163 Cb -0.35 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.27 3igj s VAL 163 CO 0.44 -0.77 0.81 -0.69 0.00 0.00 0.00 175.10 174.89 3igj s VAL 164 N 1.38 4.60 -0.51 2.92 1.01 0.69 -1.27 120.40 129.22 3igj s VAL 164 Ca 0.06 0.26 0.16 0.00 0.00 0.00 0.00 61.98 62.46 3igj s VAL 164 Cb -0.26 -4.38 -0.21 0.00 0.00 0.00 0.00 36.38 31.53 3igj s VAL 164 CO -0.00 -0.85 0.58 0.35 0.00 0.00 0.00 175.10 175.18 3igj n THR 165 N 6.09 0.00 -4.29 3.92 -2.24 -1.26 -2.17 114.28 114.33 3igj n THR 165 Ca 0.01 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 3igj n THR 165 Cb 0.48 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 3igj n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3igj s LYS 166 N -2.77 1.24 0.50 -0.78 1.02 -1.26 -4.92 119.74 112.77 3igj s LYS 166 Ca 0.02 -1.61 -0.23 0.00 0.02 0.00 0.00 55.97 54.17 3igj s LYS 166 Cb 0.12 -0.49 -0.07 0.00 -0.52 0.00 0.00 37.83 36.87 3igj s LYS 166 CO 0.68 -0.10 1.25 -0.25 -0.92 0.00 0.00 175.35 176.01 3igj n ASP 167 N -0.34 2.28 -4.28 2.83 9.92 -1.26 -4.74 116.55 120.96 3igj n ASP 167 Ca -0.06 1.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.87 3igj n ASP 167 Cb 0.63 -1.51 -0.15 0.00 -0.64 0.00 0.00 41.12 39.45 3igj n ASP 167 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3igj s VAL 168 N -1.29 2.83 0.72 2.53 1.01 0.12 -4.96 120.40 121.35 3igj s VAL 168 Ca 0.68 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 3igj s VAL 168 Cb -0.46 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 33.73 3igj s VAL 168 CO 0.52 0.50 1.07 -2.16 0.00 0.00 0.00 175.10 175.04 3igj s PRO 169 N 0.91 2.74 0.25 2.72 0.04 -1.26 0.35 135.00 140.75 3igj s PRO 169 Ca -0.03 0.76 -0.23 0.00 0.04 0.00 0.00 61.00 61.54 3igj s PRO 169 Cb -0.15 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.26 3igj s PRO 169 CO -0.01 -1.19 0.32 0.09 0.04 0.00 0.00 177.00 176.25 3igj n ASN 170 N -3.16 -1.67 -2.21 6.66 4.13 -1.26 -3.92 115.26 113.83 3igj n ASN 170 Ca 0.07 0.90 -0.19 0.00 1.68 0.00 0.00 54.58 57.04 3igj n ASN 170 Cb 0.55 -0.83 -0.00 0.00 -1.54 0.00 0.00 39.78 37.96 3igj n ASN 170 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3igj n ASN 171 N 1.90 -5.45 -4.43 6.41 3.02 0.49 -4.86 115.26 112.34 3igj n ASN 171 Ca 0.14 -0.05 -0.24 0.00 -0.03 0.00 0.00 54.58 54.40 3igj n ASN 171 Cb 0.27 -4.48 -0.11 0.00 -0.61 0.00 0.00 39.78 34.86 3igj n ASN 171 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3igj s VAL 172 N -2.96 2.29 -0.26 2.41 -7.23 -1.25 -0.27 120.40 113.13 3igj s VAL 172 Ca 0.04 -2.22 -0.10 0.00 -1.81 0.00 0.00 61.98 57.89 3igj s VAL 172 Cb -0.02 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 3igj s VAL 172 CO 0.04 -0.32 0.15 -0.69 -0.31 0.00 0.00 175.10 173.97 3igj s VAL 173 N -2.25 5.04 0.17 1.32 1.01 0.51 -0.47 120.40 125.74 3igj s VAL 173 Ca 0.25 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.40 3igj s VAL 173 Cb -0.06 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3igj s VAL 173 CO 0.12 0.31 -0.13 0.68 0.00 0.00 0.00 175.10 176.08 3igj s VAL 174 N 1.47 3.02 0.21 2.92 -7.23 -0.33 0.40 120.40 120.87 3igj s VAL 174 Ca 0.07 -1.69 -0.20 0.00 -1.81 0.00 0.00 61.98 58.34 3igj s VAL 174 Cb -0.15 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.35 3igj s VAL 174 CO 0.07 -0.08 0.61 -0.83 -0.31 0.00 0.00 175.10 174.56 3igj s GLY 175 N -2.71 -0.22 0.00 2.32 0.00 -0.35 -0.16 107.32 106.20 3igj s GLY 175 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3igj s GLY 175 CO 0.14 -0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.75 3igj n GLY 176 N -0.39 -3.35 2.71 0.20 0.00 -1.26 -0.53 105.19 102.57 3igj n GLY 176 Ca -0.10 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 3igj n GLY 176 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3igj s ASN 177 N -1.30 3.52 0.65 1.61 3.04 -1.26 -1.35 114.94 119.86 3igj s ASN 177 Ca 0.00 -1.26 -0.11 0.00 0.04 0.00 0.00 52.86 51.52 3igj s ASN 177 Cb 0.00 -0.69 -0.02 0.00 -1.54 0.00 0.00 41.25 39.00 3igj s ASN 177 CO 0.00 -0.37 1.06 -2.16 -3.04 0.00 0.00 177.10 172.58 3igj s PRO 178 N 1.78 3.31 0.26 0.43 0.05 -1.26 -5.03 135.00 134.53 3igj s PRO 178 Ca 0.05 0.63 -0.30 0.00 0.05 0.00 0.00 61.00 61.44 3igj s PRO 178 Cb -0.17 -2.06 -0.10 0.00 0.05 0.00 0.00 34.50 32.22 3igj s PRO 178 CO -0.20 -0.75 1.47 0.00 0.05 0.00 0.00 177.00 177.57 3igj s ALA 179 N -3.25 3.65 0.18 8.56 0.00 -0.40 -4.89 121.76 125.62 3igj s ALA 179 Ca 0.56 1.38 0.08 0.00 0.00 0.00 0.00 51.96 53.98 3igj s ALA 179 Cb -0.11 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3igj s ALA 179 CO 0.53 -0.80 -0.16 0.15 0.00 0.00 0.00 175.76 175.49 3igj s LYS 180 N -0.42 1.28 0.19 0.00 1.02 0.31 -4.86 119.74 117.26 3igj s LYS 180 Ca 0.60 -1.50 -0.31 0.00 0.02 0.00 0.00 55.97 54.78 3igj s LYS 180 Cb -0.43 -1.16 -0.10 0.00 -0.52 0.00 0.00 37.83 35.62 3igj s LYS 180 CO 0.44 0.21 1.51 0.08 -0.92 0.00 0.00 175.35 176.68 3igj s VAL 181 N -2.61 2.69 -0.22 3.17 1.01 -1.26 -1.21 120.40 121.96 3igj s VAL 181 Ca 0.19 0.52 0.06 0.00 0.00 0.00 0.00 61.98 62.75 3igj s VAL 181 Cb -0.03 -3.33 -0.17 0.00 0.00 0.00 0.00 36.38 32.85 3igj s VAL 181 CO 0.06 0.05 -0.14 2.30 0.00 0.00 0.00 175.10 177.38 3igj n ILE 182 N 3.45 1.34 -3.58 2.22 -5.35 0.16 -4.90 119.36 112.71 3igj n ILE 182 Ca 0.11 -0.59 -0.09 0.00 -0.27 0.00 0.00 62.75 61.92 3igj n ILE 182 Cb 0.39 -1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 37.14 3igj n ILE 182 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3igj s LYS 183 N -2.47 1.22 0.30 6.28 -2.85 -1.18 -5.02 119.74 116.03 3igj s LYS 183 Ca -0.26 -0.55 0.06 0.00 -1.00 0.00 0.00 55.97 54.22 3igj s LYS 183 Cb 0.08 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.33 3igj s LYS 183 CO 0.60 -0.55 0.43 0.95 0.10 0.00 0.00 175.35 176.89 3igj s THR 184 N -3.52 4.47 -0.09 3.79 -4.23 -1.26 -0.37 115.64 114.43 3igj s THR 184 Ca 0.06 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 3igj s THR 184 Cb -0.02 -3.56 0.03 0.00 1.34 0.00 0.00 72.50 70.29 3igj s THR 184 CO -0.06 -0.22 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.15 3igj s ILE 185 N -2.11 0.59 0.06 2.99 1.01 0.62 -4.83 121.20 119.53 3igj s ILE 185 Ca 0.41 -0.02 0.09 0.00 0.00 0.00 0.00 60.65 61.14 3igj s ILE 185 Cb -0.09 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 3igj s ILE 185 CO 0.30 0.30 -0.25 -0.70 0.00 0.00 0.00 174.94 174.59 3igj s GLU 186 N 1.88 1.64 0.00 2.79 2.56 -1.26 -4.69 118.70 121.62 3igj s GLU 186 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 54.97 53.92 3igj s GLU 186 Cb -0.12 -1.84 0.00 0.00 2.00 0.00 0.00 34.13 34.17 3igj s GLU 186 CO -0.06 0.47 0.47 -1.91 -0.56 0.00 0.00 175.26 173.67