#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0q s GLY 2 N 0.00 1.76 0.39 7.41 0.00 -1.26 -1.33 107.32 114.29 1n0q s GLY 2 Ca 0.00 0.43 -0.25 0.00 0.00 0.00 0.00 44.72 44.90 1n0q s GLY 2 CO 0.00 0.81 1.04 0.54 0.00 0.00 0.00 173.10 175.48 1n0q n ARG 3 N -3.60 1.43 -2.80 2.90 1.74 -1.26 -4.69 116.66 110.38 1n0q n ARG 3 Ca 0.10 0.51 -0.20 0.00 -0.77 0.00 0.00 57.85 57.50 1n0q n ARG 3 Cb 0.52 -2.03 0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1n0q n ARG 3 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1n0q s THR 4 N -1.21 2.89 0.33 0.55 -4.23 -1.26 -4.97 115.64 107.72 1n0q s THR 4 Ca 0.61 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1n0q s THR 4 Cb -0.59 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 70.52 1n0q s THR 4 CO 0.58 -0.02 1.88 -0.65 -0.54 0.00 0.00 174.62 175.87 1n0q h PRO 5 N 0.30 0.82 -0.79 3.99 0.11 -2.00 -1.23 132.00 133.21 1n0q h PRO 5 Ca -0.42 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1n0q h PRO 5 Cb 1.29 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1n0q h PRO 5 CO 0.50 0.54 0.31 1.25 -0.21 0.00 0.00 178.00 180.40 1n0q h LEU 6 N 0.85 1.09 -0.55 2.35 5.85 -1.95 -0.88 115.31 122.06 1n0q h LEU 6 Ca 0.44 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 59.08 1n0q h LEU 6 Cb 0.51 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 1n0q h LEU 6 CO -0.20 0.96 0.16 0.45 -0.34 0.00 0.00 178.44 179.47 1n0q h HIS 7 N 1.15 0.27 -0.20 1.25 3.86 -1.61 -0.32 115.15 119.55 1n0q h HIS 7 Ca 0.26 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.40 1n0q h HIS 7 Cb 0.21 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1n0q h HIS 7 CO 0.02 0.05 -0.27 -0.07 0.86 0.00 0.00 177.93 178.51 1n0q h LEU 8 N 0.32 0.59 -0.69 2.43 3.38 -1.01 0.04 115.31 120.37 1n0q h LEU 8 Ca 0.28 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1n0q h LEU 8 Cb 0.35 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1n0q h LEU 8 CO -0.31 0.98 0.33 0.00 0.09 0.00 0.00 178.44 179.53 1n0q h ALA 9 N 0.62 0.89 -0.29 1.53 0.00 -1.11 -1.96 119.26 118.95 1n0q h ALA 9 Ca 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1n0q h ALA 9 Cb 0.85 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1n0q h ALA 9 CO 0.06 0.45 -0.01 0.00 0.00 0.00 0.00 179.25 179.76 1n0q h ALA 10 N 1.16 0.39 -0.83 0.00 0.00 -0.97 -0.82 119.26 118.18 1n0q h ALA 10 Ca 0.24 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1n0q h ALA 10 Cb 0.12 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1n0q h ALA 10 CO -0.03 0.14 0.49 -0.09 0.00 0.00 0.00 179.25 179.76 1n0q h ARG 11 N 0.29 0.84 -0.18 0.00 1.12 -0.89 -2.37 114.38 113.20 1n0q h ARG 11 Ca 0.08 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1n0q h ARG 11 Cb 0.44 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1n0q h ARG 11 CO 0.02 0.55 0.00 0.09 -3.11 0.00 0.00 179.97 177.52 1n0q n ASN 12 N -4.69 1.90 -0.54 -3.80 5.03 -0.75 -4.81 115.26 107.61 1n0q n ASN 12 Ca 0.13 -1.74 -0.06 0.00 0.87 0.00 0.00 54.58 53.78 1n0q n ASN 12 Cb 0.22 -0.11 -0.02 0.00 -1.02 0.00 0.00 39.78 38.85 1n0q n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n0q n GLY 13 N 1.18 0.55 3.49 7.41 0.00 -0.63 -4.96 105.19 112.23 1n0q n GLY 13 Ca 0.17 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1n0q n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n0q s HIS 14 N -2.25 3.05 0.13 1.61 3.76 -0.41 -4.87 115.29 116.31 1n0q s HIS 14 Ca 0.00 -1.49 -0.19 0.00 -0.15 0.00 0.00 55.06 53.23 1n0q s HIS 14 Cb 0.00 -4.43 -0.05 0.00 1.11 0.00 0.00 32.58 29.21 1n0q s HIS 14 CO 0.00 -1.60 1.76 1.25 -0.85 0.00 0.00 174.74 175.30 1n0q h LEU 15 N 10.98 0.31 -0.87 0.89 5.85 -1.93 -0.43 115.31 130.11 1n0q h LEU 15 Ca 0.24 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1n0q h LEU 15 Cb 0.97 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1n0q h LEU 15 CO 1.25 0.27 -0.04 -0.33 -0.34 0.00 0.00 178.44 179.25 1n0q h GLU 16 N 0.33 0.80 -0.47 1.25 4.39 -1.99 -1.13 114.58 117.76 1n0q h GLU 16 Ca 0.09 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1n0q h GLU 16 Cb 0.01 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1n0q h GLU 16 CO -0.02 0.83 0.16 0.28 -1.16 0.00 0.00 179.01 179.10 1n0q h VAL 17 N 0.74 1.22 -0.44 3.13 2.07 -1.88 -1.19 116.25 119.89 1n0q h VAL 17 Ca 0.14 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1n0q h VAL 17 Cb 0.50 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1n0q h VAL 17 CO 0.03 0.26 0.21 0.58 0.02 0.00 0.00 177.57 178.67 1n0q h VAL 18 N 0.63 0.94 -0.21 2.57 2.07 -0.70 -0.78 116.25 120.77 1n0q h VAL 18 Ca 0.15 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1n0q h VAL 18 Cb 0.25 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1n0q h VAL 18 CO -0.01 0.08 -0.02 0.11 0.02 0.00 0.00 177.57 177.75 1n0q h LYS 19 N 0.41 0.04 -0.59 1.57 1.57 -0.93 -0.69 116.57 117.95 1n0q h LYS 19 Ca 0.20 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1n0q h LYS 19 Cb 0.13 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1n0q h LYS 19 CO -0.16 0.03 0.38 1.25 -0.57 0.00 0.00 179.45 180.39 1n0q h LEU 20 N 0.04 0.66 -0.69 2.94 5.85 -0.78 -0.44 115.31 122.89 1n0q h LEU 20 Ca 0.10 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1n0q h LEU 20 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1n0q h LEU 20 CO -0.18 0.47 0.19 -0.07 -0.34 0.00 0.00 178.44 178.50 1n0q h LEU 21 N 0.78 1.03 -0.65 2.25 3.38 -0.83 -0.70 115.31 120.56 1n0q h LEU 21 Ca 0.22 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1n0q h LEU 21 Cb -0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1n0q h LEU 21 CO -0.06 0.98 0.24 -0.07 0.09 0.00 0.00 178.44 179.63 1n0q h LEU 22 N 1.02 0.92 -1.20 1.67 3.38 -0.90 -1.29 115.31 118.91 1n0q h LEU 22 Ca 0.22 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1n0q h LEU 22 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1n0q h LEU 22 CO -0.00 0.85 0.12 -0.33 0.09 0.00 0.00 178.44 179.17 1n0q h GLU 23 N 0.93 0.67 0.00 1.13 5.08 -0.61 -2.05 114.58 119.74 1n0q h GLU 23 Ca 0.22 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1n0q h GLU 23 Cb 0.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1n0q h GLU 23 CO -0.01 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 1n0q n ALA 24 N -2.47 1.89 0.00 3.43 0.00 -0.31 -4.88 120.51 118.17 1n0q n ALA 24 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1n0q n ALA 24 Cb 0.20 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1n0q n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0q n GLY 25 N 0.49 1.47 3.65 0.00 0.00 -0.77 -5.09 105.19 104.94 1n0q n GLY 25 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1n0q n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0q n ALA 26 N -0.64 0.66 -2.21 4.61 0.00 -0.52 -4.88 120.51 117.53 1n0q n ALA 26 Ca 0.00 0.30 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 1n0q n ALA 26 Cb 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.27 1n0q n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n0q s ASP 27 N -0.54 6.24 0.50 0.00 2.15 -1.26 -4.81 116.67 118.94 1n0q s ASP 27 Ca 0.60 1.13 0.28 0.00 0.43 0.00 0.00 52.55 54.99 1n0q s ASP 27 Cb -0.58 -2.53 1.27 0.00 -0.30 0.00 0.00 42.92 40.78 1n0q s ASP 27 CO 0.59 -1.46 1.97 1.62 -0.17 0.00 0.00 175.17 177.72 1n0q h VAL 28 N 6.48 0.42 -0.33 1.11 3.04 -1.89 -2.72 116.25 122.35 1n0q h VAL 28 Ca -0.30 -0.75 -0.00 0.00 -1.01 0.00 0.00 66.70 64.64 1n0q h VAL 28 Cb 1.13 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 31.95 1n0q h VAL 28 CO 1.05 0.13 0.00 0.59 -1.01 0.00 0.00 177.57 178.33 1n0q n ASN 29 N -3.39 4.30 -4.70 3.17 3.02 -1.26 -4.32 115.26 112.08 1n0q n ASN 29 Ca -0.01 -3.01 -0.43 0.00 -0.03 0.00 0.00 54.58 51.11 1n0q n ASN 29 Cb 0.32 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 1n0q n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0q n ALA 30 N -0.26 1.36 -2.72 5.41 0.00 -1.03 -4.87 120.51 118.40 1n0q n ALA 30 Ca 0.23 0.37 -0.34 0.00 0.00 0.00 0.00 53.44 53.69 1n0q n ALA 30 Cb 0.97 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 1n0q n ALA 30 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n0q s LYS 31 N -1.69 3.09 0.31 0.00 1.02 -1.26 -4.03 119.74 117.18 1n0q s LYS 31 Ca 0.57 -0.49 -0.03 0.00 0.02 0.00 0.00 55.97 56.04 1n0q s LYS 31 Cb -0.57 -2.76 0.07 0.00 -0.52 0.00 0.00 37.83 34.05 1n0q s LYS 31 CO 0.61 0.56 0.42 -0.40 -0.92 0.00 0.00 175.35 175.62 1n0q n ASP 32 N 2.55 0.23 0.00 2.83 5.68 0.09 -1.21 116.55 126.72 1n0q n ASP 32 Ca -0.18 -1.27 0.08 0.00 -0.50 0.00 0.00 54.79 52.92 1n0q n ASP 32 Cb 0.53 -0.31 0.38 0.00 -1.14 0.00 0.00 41.12 40.59 1n0q n ASP 32 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1n0q n LYS 33 N -1.86 0.04 -0.25 0.11 5.02 -0.44 -0.87 118.16 119.91 1n0q n LYS 33 Ca 0.06 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.66 1n0q n LYS 33 Cb 0.21 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 33.97 1n0q n LYS 33 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n0q n ASN 34 N -1.47 3.64 0.00 4.39 3.02 -1.26 -4.95 115.26 118.63 1n0q n ASN 34 Ca 0.05 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1n0q n ASN 34 Cb 0.19 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1n0q n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n0q n GLY 35 N 1.57 0.62 3.77 7.41 0.00 -0.05 -1.38 105.19 117.14 1n0q n GLY 35 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1n0q n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0q s ARG 36 N -0.03 4.59 0.59 1.61 3.00 -1.26 -3.89 118.95 123.56 1n0q s ARG 36 Ca 0.00 1.18 -0.00 0.00 0.00 0.00 0.00 55.73 56.91 1n0q s ARG 36 Cb 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 34.95 31.73 1n0q s ARG 36 CO 0.00 0.57 0.83 0.95 0.00 0.00 0.00 175.30 177.64 1n0q s THR 37 N -1.14 2.57 0.33 0.02 -4.23 -1.26 -0.73 115.64 111.20 1n0q s THR 37 Ca 0.36 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.34 1n0q s THR 37 Cb -0.23 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 70.94 1n0q s THR 37 CO 0.27 0.00 1.86 -0.65 -0.54 0.00 0.00 174.62 175.55 1n0q h PRO 38 N -0.08 0.78 -0.82 3.99 0.11 -1.75 -1.66 132.00 132.57 1n0q h PRO 38 Ca -0.42 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1n0q h PRO 38 Cb 1.30 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1n0q h PRO 38 CO 0.53 0.52 0.40 1.25 -0.21 0.00 0.00 178.00 180.49 1n0q h LEU 39 N 0.81 1.07 -0.59 2.35 5.85 -1.94 -0.64 115.31 122.22 1n0q h LEU 39 Ca 0.46 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.15 1n0q h LEU 39 Cb 0.62 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1n0q h LEU 39 CO -0.23 0.90 0.17 0.45 -0.34 0.00 0.00 178.44 179.40 1n0q h HIS 40 N 1.16 0.29 -0.20 1.25 3.86 -1.68 0.03 115.15 119.85 1n0q h HIS 40 Ca 0.28 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.37 1n0q h HIS 40 Cb 0.11 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1n0q h HIS 40 CO 0.01 0.03 -0.48 -0.07 0.86 0.00 0.00 177.93 178.29 1n0q h LEU 41 N 0.32 0.77 -0.69 2.43 3.38 -1.12 -0.82 115.31 119.59 1n0q h LEU 41 Ca 0.30 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1n0q h LEU 41 Cb 0.41 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1n0q h LEU 41 CO -0.34 1.20 0.15 0.00 0.09 0.00 0.00 178.44 179.53 1n0q h ALA 42 N 0.60 0.91 -0.36 1.53 0.00 -1.02 -2.35 119.26 118.58 1n0q h ALA 42 Ca -0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1n0q h ALA 42 Cb 1.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1n0q h ALA 42 CO 0.10 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.95 1n0q h ALA 43 N 1.07 0.50 -0.68 0.00 0.00 -0.94 -0.97 119.26 118.24 1n0q h ALA 43 Ca 0.21 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1n0q h ALA 43 Cb 0.40 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1n0q h ALA 43 CO 0.01 0.32 0.45 -0.09 0.00 0.00 0.00 179.25 179.94 1n0q h ARG 44 N 0.48 0.80 -0.02 0.00 2.43 -1.04 -2.28 114.38 114.75 1n0q h ARG 44 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1n0q h ARG 44 Cb 0.55 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1n0q h ARG 44 CO 0.03 0.53 -0.04 0.09 -1.51 0.00 0.00 179.97 179.07 1n0q n ASN 45 N -4.46 1.83 -0.27 -3.80 3.02 -0.89 -4.78 115.26 105.91 1n0q n ASN 45 Ca 0.09 -1.57 -0.03 0.00 -0.03 0.00 0.00 54.58 53.04 1n0q n ASN 45 Cb 0.13 0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.31 1n0q n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n0q n GLY 46 N 1.24 0.50 3.49 7.41 0.00 -0.60 -4.96 105.19 112.26 1n0q n GLY 46 Ca 0.17 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 1n0q n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n0q s HIS 47 N -2.12 3.24 0.18 1.61 3.76 -0.47 -4.85 115.29 116.64 1n0q s HIS 47 Ca 0.00 -1.84 -0.13 0.00 -0.15 0.00 0.00 55.06 52.94 1n0q s HIS 47 Cb 0.00 -4.42 0.08 0.00 1.11 0.00 0.00 32.58 29.35 1n0q s HIS 47 CO 0.00 -1.52 1.83 1.25 -0.85 0.00 0.00 174.74 175.45 1n0q h LEU 48 N 10.56 0.66 -0.86 0.89 5.85 -1.93 -0.39 115.31 130.10 1n0q h LEU 48 Ca 0.31 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 1n0q h LEU 48 Cb 0.91 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1n0q h LEU 48 CO 1.27 0.50 -0.08 -0.33 -0.34 0.00 0.00 178.44 179.46 1n0q h GLU 49 N 0.76 0.77 -0.54 1.25 4.39 -1.99 -1.05 114.58 118.18 1n0q h GLU 49 Ca 0.21 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1n0q h GLU 49 Cb -0.06 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1n0q h GLU 49 CO -0.04 0.83 0.19 0.28 -1.16 0.00 0.00 179.01 179.11 1n0q h VAL 50 N 0.70 1.23 -0.43 3.13 2.07 -1.83 -1.73 116.25 119.38 1n0q h VAL 50 Ca 0.12 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.98 1n0q h VAL 50 Cb 0.54 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 1n0q h VAL 50 CO 0.03 0.27 0.10 0.58 0.02 0.00 0.00 177.57 178.58 1n0q h VAL 51 N 0.73 0.79 -0.54 2.57 2.07 -0.69 0.21 116.25 121.39 1n0q h VAL 51 Ca 0.18 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1n0q h VAL 51 Cb 0.23 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1n0q h VAL 51 CO -0.01 0.04 0.33 0.11 0.02 0.00 0.00 177.57 178.06 1n0q h LYS 52 N 0.24 0.64 -0.52 1.57 1.57 -0.98 -1.21 116.57 117.88 1n0q h LYS 52 Ca 0.21 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1n0q h LYS 52 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1n0q h LYS 52 CO -0.26 0.42 -0.01 1.25 -0.57 0.00 0.00 179.45 180.28 1n0q h LEU 53 N 0.65 0.91 -0.85 2.94 5.85 -0.80 -1.14 115.31 122.87 1n0q h LEU 53 Ca 0.21 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1n0q h LEU 53 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1n0q h LEU 53 CO -0.09 0.99 0.25 -0.07 -0.34 0.00 0.00 178.44 179.19 1n0q h LEU 54 N 0.79 1.02 -0.55 2.25 3.38 -0.64 -0.88 115.31 120.68 1n0q h LEU 54 Ca 0.15 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1n0q h LEU 54 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1n0q h LEU 54 CO 0.03 0.93 0.17 -0.07 0.09 0.00 0.00 178.44 179.59 1n0q h LEU 55 N 1.06 0.80 -1.53 1.67 3.38 -1.02 -0.22 115.31 119.46 1n0q h LEU 55 Ca 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n0q h LEU 55 Cb 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1n0q h LEU 55 CO -0.01 0.80 0.22 -0.08 0.09 0.00 0.00 178.44 179.46 1n0q h GLU 56 N 0.76 0.53 -0.38 1.13 4.81 -0.78 -1.98 114.58 118.68 1n0q h GLU 56 Ca 0.18 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1n0q h GLU 56 Cb 0.29 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1n0q h GLU 56 CO -0.00 0.39 0.00 0.00 -0.73 0.00 0.00 179.01 178.67 1n0q n ALA 57 N -2.48 2.48 0.00 2.92 0.00 -0.38 -4.90 120.51 118.16 1n0q n ALA 57 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1n0q n ALA 57 Cb 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1n0q n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0q n GLY 58 N 1.02 1.02 3.76 0.00 0.00 -0.75 -4.87 105.19 105.37 1n0q n GLY 58 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1n0q n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0q s ALA 59 N -2.00 3.18 -0.44 4.61 0.00 -0.15 -4.86 121.76 122.11 1n0q s ALA 59 Ca 0.00 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 1n0q s ALA 59 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.58 1n0q s ALA 59 CO 0.00 -1.13 1.14 0.34 0.00 0.00 0.00 175.76 176.10 1n0q s ASP 60 N -0.64 6.70 0.63 0.00 -1.08 -1.26 -4.79 116.67 116.23 1n0q s ASP 60 Ca 0.62 0.63 0.36 0.00 -0.52 0.00 0.00 52.55 53.64 1n0q s ASP 60 Cb -0.42 -2.55 2.06 0.00 -1.46 0.00 0.00 42.92 40.55 1n0q s ASP 60 CO 0.53 -1.17 2.26 1.62 0.52 0.00 0.00 175.17 178.93 1n0q h VAL 61 N 6.12 0.24 -0.24 1.11 3.04 -1.92 -2.64 116.25 121.96 1n0q h VAL 61 Ca -0.23 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.42 1n0q h VAL 61 Cb 1.06 0.94 -0.03 0.00 -2.01 0.00 0.00 31.29 31.26 1n0q h VAL 61 CO 1.10 0.00 -0.03 0.59 -1.01 0.00 0.00 177.57 178.23 1n0q n ASN 62 N -3.41 3.23 -4.70 3.17 3.02 -1.26 -4.21 115.26 111.09 1n0q n ASN 62 Ca -0.02 -3.25 -0.42 0.00 -0.03 0.00 0.00 54.58 50.86 1n0q n ASN 62 Cb 0.14 -0.55 -0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1n0q n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0q n ALA 63 N -0.84 1.35 -2.86 5.41 0.00 -1.00 -4.90 120.51 117.68 1n0q n ALA 63 Ca 0.24 0.33 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 1n0q n ALA 63 Cb 0.89 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.94 1n0q n ALA 63 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n0q s LYS 64 N -1.98 3.07 0.24 0.00 1.02 -1.26 -4.10 119.74 116.74 1n0q s LYS 64 Ca 0.57 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.84 1n0q s LYS 64 Cb -0.55 -2.54 0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1n0q s LYS 64 CO 0.61 0.36 0.33 -0.40 -0.92 0.00 0.00 175.35 175.34 1n0q n ASP 65 N 3.08 0.11 0.10 2.83 5.68 -0.27 -4.84 116.55 123.24 1n0q n ASP 65 Ca -0.18 -1.17 0.11 0.00 -0.50 0.00 0.00 54.79 53.05 1n0q n ASP 65 Cb 0.53 -0.25 0.46 0.00 -1.14 0.00 0.00 41.12 40.71 1n0q n ASP 65 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1n0q n LYS 66 N -1.69 0.16 -0.34 0.11 5.02 -0.48 -1.04 118.16 119.91 1n0q n LYS 66 Ca 0.04 0.37 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 1n0q n LYS 66 Cb 0.15 -1.80 0.29 0.00 -0.02 0.00 0.00 35.03 33.66 1n0q n LYS 66 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n0q n ASN 67 N -2.10 3.52 -0.15 4.39 3.02 -1.26 -4.95 115.26 117.74 1n0q n ASN 67 Ca 0.03 -2.00 -0.02 0.00 -0.03 0.00 0.00 54.58 52.56 1n0q n ASN 67 Cb 0.24 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.96 1n0q n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n0q n GLY 68 N 1.54 0.49 3.80 7.41 0.00 -0.21 -5.02 105.19 113.21 1n0q n GLY 68 Ca 0.22 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1n0q n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0q s ARG 69 N -1.19 4.33 0.45 1.61 0.52 -1.26 -4.70 118.95 118.70 1n0q s ARG 69 Ca 0.00 0.89 0.08 0.00 -0.52 0.00 0.00 55.73 56.18 1n0q s ARG 69 Cb 0.00 -3.20 0.02 0.00 0.52 0.00 0.00 34.95 32.29 1n0q s ARG 69 CO 0.00 0.59 0.61 0.95 0.02 0.00 0.00 175.30 177.46 1n0q s THR 70 N -1.18 2.86 0.37 0.02 -4.23 -1.26 -1.12 115.64 111.10 1n0q s THR 70 Ca 0.33 -1.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1n0q s THR 70 Cb -0.20 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 71.09 1n0q s THR 70 CO 0.22 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.58 1n0q h PRO 71 N 0.56 0.69 -0.57 3.99 0.11 -1.73 -1.62 132.00 133.43 1n0q h PRO 71 Ca -0.38 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.73 1n0q h PRO 71 Cb 1.28 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1n0q h PRO 71 CO 0.44 0.46 0.30 1.25 -0.21 0.00 0.00 178.00 180.24 1n0q h LEU 72 N 0.71 0.45 -0.69 2.35 5.85 -1.93 -1.01 115.31 121.04 1n0q h LEU 72 Ca 0.36 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 59.01 1n0q h LEU 72 Cb 0.44 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1n0q h LEU 72 CO -0.13 0.30 0.00 0.45 -0.34 0.00 0.00 178.44 178.72 1n0q h HIS 73 N 0.58 1.10 -0.36 1.25 3.86 -1.64 -0.40 115.15 119.54 1n0q h HIS 73 Ca 0.25 -0.18 -0.16 0.00 -1.16 0.00 0.00 60.37 59.11 1n0q h HIS 73 Cb 0.14 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1n0q h HIS 73 CO -0.09 0.97 -0.42 -0.07 0.86 0.00 0.00 177.93 179.18 1n0q h LEU 74 N 0.93 0.98 -0.35 2.43 3.38 -1.05 -1.66 115.31 119.97 1n0q h LEU 74 Ca 0.17 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1n0q h LEU 74 Cb 0.54 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1n0q h LEU 74 CO 0.03 1.26 0.07 0.00 0.09 0.00 0.00 178.44 179.89 1n0q h ALA 75 N 0.78 0.46 -0.63 1.53 0.00 -1.00 -3.04 119.26 117.37 1n0q h ALA 75 Ca 0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1n0q h ALA 75 Cb 1.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1n0q h ALA 75 CO 0.10 0.15 0.14 0.00 0.00 0.00 0.00 179.25 179.64 1n0q h ALA 76 N 0.91 1.06 -0.27 0.00 0.00 -0.98 -1.83 119.26 118.14 1n0q h ALA 76 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n0q h ALA 76 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n0q h ALA 76 CO 0.00 0.62 0.17 -0.09 0.00 0.00 0.00 179.25 179.95 1n0q h ARG 77 N 0.94 0.36 -0.67 0.00 2.43 -1.23 -1.40 114.38 114.82 1n0q h ARG 77 Ca 0.20 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1n0q h ARG 77 Cb 0.36 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1n0q h ARG 77 CO 0.00 0.25 0.00 0.09 -1.51 0.00 0.00 179.97 178.81 1n0q n ASN 78 N -4.48 3.70 -1.29 -3.80 5.03 -0.98 -4.96 115.26 108.47 1n0q n ASN 78 Ca 0.01 -2.07 -0.13 0.00 0.87 0.00 0.00 54.58 53.27 1n0q n ASN 78 Cb 0.08 -0.46 -0.02 0.00 -1.02 0.00 0.00 39.78 38.35 1n0q n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n0q n GLY 79 N 1.48 0.41 3.47 7.41 0.00 -0.53 -4.94 105.19 112.50 1n0q n GLY 79 Ca 0.23 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1n0q n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n0q n HIS 80 N -3.50 4.74 -0.14 1.61 8.25 -0.74 -4.83 115.22 120.61 1n0q n HIS 80 Ca -0.14 -3.12 -0.05 0.00 -0.26 0.00 0.00 57.72 54.15 1n0q n HIS 80 Cb 0.54 -2.38 0.15 0.00 1.12 0.00 0.00 29.99 29.42 1n0q n HIS 80 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1n0q h LEU 81 N 10.85 0.82 -0.61 2.41 3.38 -1.92 -0.85 115.31 129.39 1n0q h LEU 81 Ca 0.38 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1n0q h LEU 81 Cb 0.86 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1n0q h LEU 81 CO 1.36 0.85 -0.23 -0.33 0.09 0.00 0.00 178.44 180.19 1n0q h GLU 82 N 0.82 0.86 -0.36 1.13 5.08 -1.99 -0.66 114.58 119.46 1n0q h GLU 82 Ca 0.17 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1n0q h GLU 82 Cb 0.40 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1n0q h GLU 82 CO 0.01 1.00 0.21 0.28 -1.00 0.00 0.00 179.01 179.51 1n0q h VAL 83 N 0.75 1.12 -0.37 3.13 2.07 -1.83 -1.66 116.25 119.46 1n0q h VAL 83 Ca 0.10 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1n0q h VAL 83 Cb 0.77 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1n0q h VAL 83 CO 0.06 0.13 -0.01 0.58 0.02 0.00 0.00 177.57 178.34 1n0q h VAL 84 N 0.46 0.71 -0.51 2.57 2.07 -0.92 0.41 116.25 121.04 1n0q h VAL 84 Ca 0.13 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1n0q h VAL 84 Cb 0.02 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1n0q h VAL 84 CO -0.02 0.02 0.31 0.50 0.02 0.00 0.00 177.57 178.39 1n0q h LYS 85 N 0.08 0.59 -0.38 1.57 3.64 -0.93 -0.34 116.57 120.80 1n0q h LYS 85 Ca 0.18 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1n0q h LYS 85 Cb 0.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1n0q h LYS 85 CO -0.31 0.39 0.10 1.25 -2.27 0.00 0.00 179.45 178.61 1n0q h LEU 86 N 0.61 0.57 -0.37 5.20 5.85 -0.80 -1.19 115.31 125.18 1n0q h LEU 86 Ca 0.21 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1n0q h LEU 86 Cb 0.02 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1n0q h LEU 86 CO -0.09 0.65 0.24 -0.07 -0.34 0.00 0.00 178.44 178.82 1n0q h LEU 87 N 0.47 0.43 -0.87 2.25 3.38 -0.60 -1.68 115.31 118.68 1n0q h LEU 87 Ca 0.12 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1n0q h LEU 87 Cb 0.29 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1n0q h LEU 87 CO -0.00 0.32 0.55 -0.07 0.09 0.00 0.00 178.44 179.32 1n0q h LEU 88 N 0.50 0.88 -2.08 1.67 3.38 -0.92 -0.60 115.31 118.14 1n0q h LEU 88 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1n0q h LEU 88 Cb -0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1n0q h LEU 88 CO -0.03 0.58 -0.08 -0.33 0.09 0.00 0.00 178.44 178.67 1n0q h GLU 89 N 1.02 0.00 -0.38 1.13 5.08 -0.59 -1.59 114.58 119.25 1n0q h GLU 89 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1n0q h GLU 89 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1n0q h GLU 89 CO -0.15 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 1n0q n ALA 90 N -2.32 2.45 -0.73 3.43 0.00 -0.35 -4.91 120.51 118.07 1n0q n ALA 90 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1n0q n ALA 90 Cb 0.18 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1n0q n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0q n GLY 91 N 1.08 0.66 3.76 0.00 0.00 -0.60 -4.92 105.19 105.17 1n0q n GLY 91 Ca 0.12 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1n0q n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0q s ALA 92 N -2.00 2.64 0.00 4.61 0.00 -0.50 -4.92 121.76 121.59 1n0q s ALA 92 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1n0q s ALA 92 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1n0q s ALA 92 CO 0.00 -1.09 0.15 2.48 0.00 0.00 0.00 175.76 177.30