#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr n SER 17 N 0.00 0.00 -4.06 3.54 2.88 -1.26 -4.88 113.62 109.84 1xnr n SER 17 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1xnr n SER 17 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1xnr n SER 17 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xnr n ARG 18 N 0.00 1.58 0.00 -1.46 5.12 -1.26 -4.52 116.66 116.11 1xnr n ARG 18 Ca 0.00 -2.15 0.00 0.00 -1.93 0.00 0.00 57.85 53.77 1xnr n ARG 18 Cb 0.00 -3.28 0.00 0.00 -1.16 0.00 0.00 32.46 28.02 1xnr n ARG 18 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1xnr n LYS 19 N 7.59 0.00 0.00 5.56 4.01 -1.26 -5.06 118.16 129.00 1xnr n LYS 19 Ca 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.28 1xnr n LYS 19 Cb 0.43 -0.01 0.00 0.00 -0.51 0.00 0.00 35.03 34.94 1xnr n LYS 19 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1xnr n ALA 20 N -1.29 0.08 -2.44 7.82 0.00 -1.26 -5.11 120.51 118.32 1xnr n ALA 20 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1xnr n ALA 20 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1xnr n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xnr n LYS 21 N 0.00 -3.06 0.00 0.00 4.01 -1.26 -4.53 118.16 113.32 1xnr n LYS 21 Ca 0.00 2.49 0.00 0.00 -0.51 0.00 0.00 58.31 60.29 1xnr n LYS 21 Cb 0.25 -4.43 0.00 0.00 -0.51 0.00 0.00 35.03 30.33 1xnr n LYS 21 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xnr n VAL 22 N 0.79 0.00 -0.10 -0.18 0.31 0.14 -1.12 118.33 118.17 1xnr n VAL 22 Ca -0.10 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.06 1xnr n VAL 22 Cb 0.15 -0.88 -0.08 0.00 -0.91 0.00 0.00 33.84 32.11 1xnr n VAL 22 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1xnr n LYS 23 N -0.59 0.47 0.05 5.55 4.81 -1.19 -4.63 118.16 122.63 1xnr n LYS 23 Ca 0.00 0.15 -0.12 0.00 -0.87 0.00 0.00 58.31 57.46 1xnr n LYS 23 Cb 0.00 -1.32 -0.06 0.00 0.02 0.00 0.00 35.03 33.67 1xnr n LYS 23 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xnr h ALA 24 N -0.32 -0.53 0.00 3.14 0.00 -1.36 -2.92 119.26 117.27 1xnr h ALA 24 Ca -0.47 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.89 1xnr h ALA 24 Cb 1.58 0.65 0.02 0.00 0.00 0.00 0.00 17.79 20.04 1xnr h ALA 24 CO -0.18 -0.88 2.72 0.25 0.00 0.00 0.00 179.25 181.17 1xnr n THR 25 N -5.43 2.58 -3.64 0.00 -2.24 -1.24 -4.71 114.28 99.60 1xnr n THR 25 Ca -0.05 -1.78 -0.02 0.00 -2.27 0.00 0.00 64.05 59.93 1xnr n THR 25 Cb 0.35 -2.29 -0.03 0.00 -2.10 0.00 0.00 70.33 66.25 1xnr n THR 25 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xnr s LEU 26 N 0.63 -0.03 0.00 3.22 2.96 -1.10 -5.00 118.68 119.35 1xnr s LEU 26 Ca 0.49 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1xnr s LEU 26 Cb 0.13 1.08 0.00 0.00 0.50 0.00 0.00 46.19 47.90 1xnr s LEU 26 CO 0.00 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 1xnr n GLY 27 N 0.26 1.08 3.74 7.98 0.00 -1.26 -5.02 105.19 111.96 1xnr n GLY 27 Ca 0.02 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1xnr n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xnr s GLU 28 N 0.57 4.41 -0.08 1.61 8.01 -1.26 -5.02 118.70 126.95 1xnr s GLU 28 Ca 0.00 2.01 -0.21 0.00 0.01 0.00 0.00 54.97 56.78 1xnr s GLU 28 Cb 0.00 -3.21 0.05 0.00 -4.31 0.00 0.00 34.13 26.66 1xnr s GLU 28 CO 0.00 -0.22 0.49 -0.59 0.01 0.00 0.00 175.26 174.95 1xnr s PHE 29 N 0.12 -0.45 -0.41 1.61 -0.12 -1.26 -5.11 117.98 112.36 1xnr s PHE 29 Ca 0.56 0.88 -0.28 0.00 -0.05 0.00 0.00 56.93 58.04 1xnr s PHE 29 Cb -0.36 0.23 -0.00 0.00 -0.63 0.00 0.00 43.02 42.26 1xnr s PHE 29 CO 0.38 -0.43 1.58 0.34 -0.05 0.00 0.00 175.22 177.04 1xnr s ASP 30 N -0.82 6.09 0.04 1.98 2.15 -1.26 -4.85 116.67 120.01 1xnr s ASP 30 Ca -0.09 0.92 0.10 0.00 0.43 0.00 0.00 52.55 53.91 1xnr s ASP 30 Cb -0.03 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.50 1xnr s ASP 30 CO 0.05 -1.62 1.31 0.18 -0.17 0.00 0.00 175.17 174.93 1xnr n LEU 31 N 9.66 0.09 -0.61 -1.34 4.77 -1.26 -1.58 117.00 126.73 1xnr n LEU 31 Ca 0.19 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.82 1xnr n LEU 31 Cb 0.48 -0.53 0.18 0.00 -2.33 0.00 0.00 43.42 41.22 1xnr n LEU 31 CO 0.70 -0.42 0.56 0.54 -1.33 0.00 0.00 177.39 177.44 1xnr n ARG 32 N -1.61 1.60 -2.19 3.23 1.74 -1.26 -4.53 116.66 113.64 1xnr n ARG 32 Ca 0.02 -1.22 -0.42 0.00 -0.77 0.00 0.00 57.85 55.46 1xnr n ARG 32 Cb 0.10 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1xnr n ARG 32 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1xnr s ASP 33 N -2.24 5.94 -0.12 0.55 -1.08 -0.61 -4.85 116.67 114.25 1xnr s ASP 33 Ca 0.26 0.75 0.12 0.00 -0.52 0.00 0.00 52.55 53.15 1xnr s ASP 33 Cb 0.19 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.68 1xnr s ASP 33 CO 0.43 -1.77 1.40 0.00 0.52 0.00 0.00 175.17 175.76 1xnr n TYR 34 N 10.21 1.28 0.00 -5.34 0.18 -1.26 -3.80 117.16 118.43 1xnr n TYR 34 Ca 0.18 -0.48 0.00 0.00 1.88 0.00 0.00 57.90 59.49 1xnr n TYR 34 Cb 0.49 -0.28 0.00 0.00 -0.38 0.00 0.00 39.34 39.17 1xnr n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1xnr n ARG 35 N 0.64 5.53 -0.92 -3.48 1.74 -1.26 -4.30 116.66 114.62 1xnr n ARG 35 Ca 0.20 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 57.00 1xnr n ARG 35 Cb 0.80 -0.42 -0.02 0.00 -1.02 0.00 0.00 32.46 31.80 1xnr n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xnr n ASN 36 N -0.82 6.17 -0.30 0.55 4.05 -1.25 -4.65 115.26 119.01 1xnr n ASN 36 Ca 0.00 -2.40 0.13 0.00 0.45 0.00 0.00 54.58 52.76 1xnr n ASN 36 Cb 0.00 -1.25 0.30 0.00 1.23 0.00 0.00 39.78 40.06 1xnr n ASN 36 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1xnr h VAL 37 N 3.30 0.46 0.00 3.44 2.07 -1.90 0.23 116.25 123.85 1xnr h VAL 37 Ca 0.62 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 68.01 1xnr h VAL 37 Cb 0.20 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1xnr h VAL 37 CO 1.56 0.07 0.03 -1.84 0.02 0.00 0.00 177.57 177.41 1xnr n GLU 38 N -5.06 0.05 -0.01 1.57 0.00 -1.26 -1.43 120.64 114.50 1xnr n GLU 38 Ca 0.22 0.53 -0.02 0.00 0.00 0.00 0.00 57.16 57.89 1xnr n GLU 38 Cb 0.65 -1.68 -0.01 0.00 0.00 0.00 0.00 31.44 30.40 1xnr n GLU 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1xnr n VAL 39 N -1.73 0.10 -0.03 3.84 3.14 0.55 -4.71 118.33 119.49 1xnr n VAL 39 Ca -0.00 -0.03 -0.13 0.00 -2.96 0.00 0.00 64.34 61.22 1xnr n VAL 39 Cb 0.04 -1.17 -0.07 0.00 -1.06 0.00 0.00 33.84 31.58 1xnr n VAL 39 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1xnr h LEU 40 N -0.04 -1.43 -0.82 6.55 3.38 -0.75 -0.56 115.31 121.63 1xnr h LEU 40 Ca -0.04 0.19 0.34 0.00 0.09 0.00 0.00 57.88 58.46 1xnr h LEU 40 Cb 1.05 0.58 -0.15 0.00 0.09 0.00 0.00 40.66 42.23 1xnr h LEU 40 CO -0.02 -0.43 0.43 0.29 0.09 0.00 0.00 178.44 178.80 1xnr n LYS 41 N -5.43 -0.05 0.03 1.13 5.02 -0.51 0.14 118.16 118.49 1xnr n LYS 41 Ca -0.04 1.13 0.07 0.00 -2.02 0.00 0.00 58.31 57.46 1xnr n LYS 41 Cb 0.36 -2.02 0.50 0.00 -0.02 0.00 0.00 35.03 33.85 1xnr n LYS 41 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1xnr h ARG 42 N 0.00 0.38 0.00 1.97 1.12 -1.34 -1.12 114.38 115.39 1xnr h ARG 42 Ca 0.69 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.54 1xnr h ARG 42 Cb 1.81 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.69 1xnr h ARG 42 CO -0.63 0.25 0.00 1.19 -3.11 0.00 0.00 179.97 177.66 1xnr n PHE 43 N -4.48 0.06 -3.18 2.20 0.99 0.38 -4.79 117.46 108.63 1xnr n PHE 43 Ca 0.04 0.02 -0.35 0.00 -0.00 0.00 0.00 57.45 57.16 1xnr n PHE 43 Cb 0.17 -0.53 -0.06 0.00 -1.00 0.00 0.00 39.48 38.06 1xnr n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1xnr s LEU 44 N -3.10 4.27 0.00 4.37 1.43 -0.43 -1.39 118.68 123.83 1xnr s LEU 44 Ca 0.12 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1xnr s LEU 44 Cb 0.17 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1xnr s LEU 44 CO 0.48 -0.01 0.00 -1.54 0.23 0.00 0.00 176.35 175.51 1xnr n SER 45 N 0.46 -1.01 0.32 2.29 3.41 0.30 -4.83 113.62 114.56 1xnr n SER 45 Ca -0.02 -0.35 0.20 0.00 -0.26 0.00 0.00 58.87 58.44 1xnr n SER 45 Cb 0.52 0.00 1.04 0.00 -0.26 0.00 0.00 64.21 65.51 1xnr n SER 45 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xnr h GLU 46 N 0.00 0.00 -5.56 4.33 3.07 -1.98 -3.42 114.58 111.02 1xnr h GLU 46 Ca 0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.23 1xnr h GLU 46 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.80 1xnr h GLU 46 CO 0.00 0.01 -0.52 0.99 -1.40 0.00 0.00 179.01 178.09 1xnr s THR 47 N -4.12 1.72 -0.79 1.13 2.01 -1.26 -4.82 115.64 109.51 1xnr s THR 47 Ca -0.04 -1.90 0.00 0.00 0.31 0.00 0.00 61.69 60.06 1xnr s THR 47 Cb 0.13 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 70.02 1xnr s THR 47 CO 0.47 0.00 0.24 0.61 -0.69 0.00 0.00 174.62 175.25 1xnr n GLY 48 N -1.20 0.63 3.77 4.40 0.00 -1.26 -4.75 105.19 106.78 1xnr n GLY 48 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1xnr n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnr s LYS 49 N -0.66 4.37 0.10 1.61 1.02 -1.26 -4.45 119.74 120.47 1xnr s LYS 49 Ca 0.00 0.86 -0.31 0.00 0.02 0.00 0.00 55.97 56.54 1xnr s LYS 49 Cb 0.00 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.91 1xnr s LYS 49 CO 0.00 0.40 1.38 0.42 -0.92 0.00 0.00 175.35 176.63 1xnr s ILE 50 N -0.36 3.41 0.52 2.17 1.01 -1.26 0.11 121.20 126.79 1xnr s ILE 50 Ca 0.33 0.99 -0.20 0.00 0.00 0.00 0.00 60.65 61.77 1xnr s ILE 50 Cb -0.19 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 1xnr s ILE 50 CO 0.20 0.07 1.10 -0.76 0.00 0.00 0.00 174.94 175.54 1xnr s LEU 51 N 1.28 3.79 1.12 2.97 1.43 -0.49 -4.82 118.68 123.97 1xnr s LEU 51 Ca 0.64 2.10 -0.17 0.00 -1.03 0.00 0.00 54.13 55.67 1xnr s LEU 51 Cb -0.36 -4.56 0.25 0.00 0.03 0.00 0.00 46.19 41.56 1xnr s LEU 51 CO 0.30 -1.06 1.14 -2.84 0.23 0.00 0.00 176.35 174.12 1xnr s PRO 52 N -3.24 -0.60 0.18 1.29 0.02 -1.26 -4.73 135.00 126.66 1xnr s PRO 52 Ca 0.71 -0.03 0.10 0.00 0.02 0.00 0.00 61.00 61.80 1xnr s PRO 52 Cb -0.22 -1.67 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 1xnr s PRO 52 CO 0.25 -3.31 1.38 0.00 -0.33 0.00 0.00 177.00 174.99 1xnr h ARG 53 N -2.29 0.00 0.00 5.54 3.08 -1.95 0.17 114.38 118.93 1xnr h ARG 53 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1xnr h ARG 53 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1xnr h ARG 53 CO 0.40 0.82 0.00 0.07 -1.07 0.00 0.00 179.97 180.19 1xnr h ARG 54 N 0.00 0.00 0.00 0.04 -0.00 -1.93 0.50 114.38 112.99 1xnr h ARG 54 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.83 1xnr h ARG 54 Cb 1.57 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.51 1xnr h ARG 54 CO 0.11 0.00 -1.55 0.54 -0.00 0.00 0.00 179.97 179.06 1xnr n ARG 55 N -2.41 0.34 0.07 0.08 5.12 -1.13 -4.53 116.66 114.20 1xnr n ARG 55 Ca -0.01 0.05 0.13 0.00 -1.93 0.00 0.00 57.85 56.09 1xnr n ARG 55 Cb 0.10 -1.19 0.48 0.00 -1.16 0.00 0.00 32.46 30.68 1xnr n ARG 55 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1xnr n THR 56 N -2.77 0.48 -0.98 0.55 -2.24 0.57 0.24 114.28 110.13 1xnr n THR 56 Ca -0.17 -0.08 -0.02 0.00 -2.27 0.00 0.00 64.05 61.51 1xnr n THR 56 Cb 0.69 -0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 1xnr n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xnr n GLY 57 N 1.08 0.20 1.65 3.38 0.00 0.17 -3.20 105.19 108.47 1xnr n GLY 57 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1xnr n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xnr n LEU 58 N -0.25 0.00 -4.71 0.99 4.77 -1.25 -4.90 117.00 111.65 1xnr n LEU 58 Ca -0.02 -0.67 -0.23 0.00 -0.03 0.00 0.00 56.01 55.06 1xnr n LEU 58 Cb 0.47 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1xnr n LEU 58 CO 0.03 -0.87 -0.25 -0.94 -1.33 0.00 0.00 177.39 174.04 1xnr s SER 59 N -3.02 4.70 0.13 -1.43 1.04 -1.26 -4.85 113.70 109.02 1xnr s SER 59 Ca 0.32 -0.68 -0.27 0.00 0.48 0.00 0.00 55.95 55.80 1xnr s SER 59 Cb -0.01 -0.84 -0.06 0.00 0.10 0.00 0.00 66.02 65.21 1xnr s SER 59 CO 0.22 -0.16 1.46 1.23 0.98 0.00 0.00 173.24 176.97 1xnr h GLY 60 N 1.68 -1.12 0.86 7.32 0.00 -1.99 0.60 103.07 110.41 1xnr h GLY 60 Ca -0.44 0.85 0.03 0.00 0.00 0.00 0.00 47.33 47.76 1xnr h GLY 60 CO 0.62 -0.12 0.39 1.70 0.00 0.00 0.00 176.54 179.13 1xnr h LYS 61 N -0.03 0.74 0.80 4.80 3.64 -1.99 -1.53 116.57 122.99 1xnr h LYS 61 Ca 0.13 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1xnr h LYS 61 Cb 0.36 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1xnr h LYS 61 CO -0.78 0.49 -0.38 0.93 -2.27 0.00 0.00 179.45 177.44 1xnr h GLU 62 N 0.76 -1.03 -1.09 1.90 5.08 -1.29 -2.52 114.58 116.40 1xnr h GLU 62 Ca 0.26 0.07 0.33 0.00 -1.00 0.00 0.00 59.36 59.02 1xnr h GLU 62 Cb 0.03 0.23 -0.13 0.00 0.50 0.00 0.00 28.75 29.39 1xnr h GLU 62 CO -0.11 -0.69 0.66 0.37 -1.00 0.00 0.00 179.01 178.25 1xnr h GLN 63 N -1.12 0.30 -0.26 2.33 5.75 0.17 0.20 115.11 122.48 1xnr h GLN 63 Ca -0.11 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.25 1xnr h GLN 63 Cb 0.82 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 1xnr h GLN 63 CO 0.18 0.20 -0.35 -0.09 -2.65 0.00 0.00 178.83 176.11 1xnr h ARG 64 N 0.31 0.57 0.03 1.69 2.43 -1.11 -1.95 114.38 116.35 1xnr h ARG 64 Ca 0.71 -0.26 -0.22 0.00 -0.81 0.00 0.00 59.98 59.40 1xnr h ARG 64 Cb 1.81 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.34 1xnr h ARG 64 CO -0.48 0.84 -0.99 0.82 -1.51 0.00 0.00 179.97 178.66 1xnr h ILE 65 N 0.48 1.57 0.87 1.20 2.04 -0.25 -3.15 117.51 120.27 1xnr h ILE 65 Ca 0.05 -2.97 -0.04 0.00 1.00 0.00 0.00 64.86 62.90 1xnr h ILE 65 Cb 0.84 2.69 0.01 0.00 -0.74 0.00 0.00 36.82 39.61 1xnr h ILE 65 CO 0.07 0.86 -0.44 0.25 0.00 0.00 0.00 178.15 178.89 1xnr h LEU 66 N 0.06 -1.07 -0.95 1.44 5.85 -0.89 -2.28 115.31 117.46 1xnr h LEU 66 Ca -0.05 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1xnr h LEU 66 Cb 1.68 0.29 -0.14 0.00 0.37 0.00 0.00 40.66 42.86 1xnr h LEU 66 CO 0.15 -0.73 -0.47 0.00 -0.34 0.00 0.00 178.44 177.04 1xnr h ALA 67 N -1.09 -0.15 -0.49 1.25 0.00 -1.41 1.61 119.26 118.98 1xnr h ALA 67 Ca -0.12 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1xnr h ALA 67 Cb 0.93 1.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 1xnr h ALA 67 CO 0.18 -0.77 0.34 -0.22 0.00 0.00 0.00 179.25 178.78 1xnr h LYS 68 N -0.03 0.16 0.18 0.00 1.63 -1.49 -0.82 116.57 116.22 1xnr h LYS 68 Ca 0.26 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1xnr h LYS 68 Cb 0.53 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1xnr h LYS 68 CO -0.94 0.11 -0.09 1.15 -3.45 0.00 0.00 179.45 176.23 1xnr h THR 69 N 0.17 0.59 -0.45 1.00 2.02 0.28 -2.87 112.91 113.65 1xnr h THR 69 Ca 0.23 -1.08 0.13 0.00 0.77 0.00 0.00 66.41 66.47 1xnr h THR 69 Cb 0.69 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1xnr h THR 69 CO -0.04 0.16 0.36 0.40 0.37 0.00 0.00 175.52 176.78 1xnr h ILE 70 N -0.96 0.65 -0.07 3.11 2.04 -0.54 0.93 117.51 122.68 1xnr h ILE 70 Ca -0.03 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.65 1xnr h ILE 70 Cb 0.46 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1xnr h ILE 70 CO 0.04 0.00 -0.74 0.11 0.00 0.00 0.00 178.15 177.56 1xnr h LYS 71 N 0.00 0.39 -0.28 2.37 1.57 -1.16 -2.38 116.57 117.08 1xnr h LYS 71 Ca 0.22 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1xnr h LYS 71 Cb 0.93 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1xnr h LYS 71 CO -0.00 0.97 -0.31 0.00 -0.57 0.00 0.00 179.45 179.54 1xnr h ARG 72 N 0.26 0.69 -0.95 3.15 3.08 -0.64 -2.80 114.38 117.17 1xnr h ARG 72 Ca -0.03 -0.38 0.12 0.00 0.07 0.00 0.00 59.98 59.76 1xnr h ARG 72 Cb 1.32 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.30 1xnr h ARG 72 CO 0.13 0.99 0.58 0.00 -1.07 0.00 0.00 179.97 180.60 1xnr h ALA 73 N 0.69 1.41 -0.67 0.04 0.00 -1.14 -1.11 119.26 118.48 1xnr h ALA 73 Ca 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1xnr h ALA 73 Cb 0.88 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1xnr h ALA 73 CO 0.07 0.17 0.21 0.00 0.00 0.00 0.00 179.25 179.70 1xnr h ARG 74 N 0.91 1.03 -0.25 0.00 3.08 -1.18 -1.58 114.38 116.40 1xnr h ARG 74 Ca 0.47 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 1xnr h ARG 74 Cb 0.47 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1xnr h ARG 74 CO -0.27 0.89 -0.15 0.82 -1.07 0.00 0.00 179.97 180.19 1xnr h ILE 75 N 1.00 1.31 0.00 2.04 2.04 -1.02 -2.91 117.51 119.96 1xnr h ILE 75 Ca 0.22 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 1xnr h ILE 75 Cb 0.29 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1xnr h ILE 75 CO -0.01 0.39 -0.01 -0.07 0.00 0.00 0.00 178.15 178.45 1xnr h LEU 76 N 0.25 0.00 0.00 1.44 3.38 -1.18 -3.46 115.31 115.74 1xnr h LEU 76 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xnr h LEU 76 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xnr h LEU 76 CO 0.04 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1xnr n GLY 77 N -1.50 1.00 0.07 0.83 0.00 -0.70 -4.99 105.19 99.91 1xnr n GLY 77 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1xnr n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xnr h LEU 78 N 0.00 0.01 -8.70 0.99 3.38 -1.58 -3.46 115.31 105.95 1xnr h LEU 78 Ca 0.00 -0.01 -0.67 0.00 0.09 0.00 0.00 57.88 57.28 1xnr h LEU 78 Cb 0.00 -0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.48 1xnr h LEU 78 CO 0.00 1.01 -0.87 -0.76 0.09 0.00 0.00 178.44 177.91 1xnr s LEU 79 N -6.42 2.17 0.66 1.67 1.43 -1.07 -4.98 118.68 112.14 1xnr s LEU 79 Ca -0.02 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.36 1xnr s LEU 79 Cb 0.09 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 45.08 1xnr s LEU 79 CO 0.82 0.24 1.09 -2.16 0.23 0.00 0.00 176.35 176.57 1xnr s PRO 80 N -1.22 2.88 -0.02 1.29 0.04 -1.26 -3.90 135.00 132.81 1xnr s PRO 80 Ca 0.11 1.27 0.21 0.00 0.04 0.00 0.00 61.00 62.63 1xnr s PRO 80 Cb -0.10 -1.97 -0.26 0.00 0.04 0.00 0.00 34.50 32.21 1xnr s PRO 80 CO 0.02 -1.17 0.52 1.19 0.04 0.00 0.00 177.00 177.60 1xnr n PHE 81 N -2.52 0.21 -3.58 0.56 3.01 -1.26 -4.76 117.46 109.12 1xnr n PHE 81 Ca 0.09 0.06 -0.11 0.00 1.01 0.00 0.00 57.45 58.51 1xnr n PHE 81 Cb 0.52 -0.69 -0.05 0.00 -0.01 0.00 0.00 39.48 39.25 1xnr n PHE 81 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1xnr s THR 82 N -3.29 0.00 0.20 4.37 -1.32 -1.26 -4.46 115.64 109.88 1xnr s THR 82 Ca -0.07 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.46 1xnr s THR 82 Cb 0.12 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.06 1xnr s THR 82 CO 0.87 0.00 -0.08 -1.61 -2.21 0.00 0.00 174.62 171.59 1xnr s GLU 83 N -0.95 1.26 0.05 7.08 2.02 -1.26 -4.53 118.70 122.37 1xnr s GLU 83 Ca -0.02 -1.59 -0.17 0.00 0.02 0.00 0.00 54.97 53.22 1xnr s GLU 83 Cb -0.01 -0.82 -0.06 0.00 0.10 0.00 0.00 34.13 33.34 1xnr s GLU 83 CO 0.01 0.06 0.49 0.15 0.02 0.00 0.00 175.26 175.99 1xnr s LYS 84 N -3.75 4.05 0.15 1.61 1.02 -1.26 -4.64 119.74 116.92 1xnr s LYS 84 Ca 0.23 0.56 -0.30 0.00 0.02 0.00 0.00 55.97 56.48 1xnr s LYS 84 Cb 0.03 -3.20 -0.07 0.00 -0.52 0.00 0.00 37.83 34.07 1xnr s LYS 84 CO 0.06 0.65 1.01 -1.17 -0.92 0.00 0.00 175.35 174.97 1xnr s LEU 85 N -1.19 4.52 -0.18 3.17 2.96 -1.26 -4.94 118.68 121.75 1xnr s LEU 85 Ca 0.27 1.92 -0.04 0.00 -0.22 0.00 0.00 54.13 56.07 1xnr s LEU 85 Cb -0.18 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 1xnr s LEU 85 CO 0.17 -0.09 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.38 1xnr s VAL 86 N -0.27 3.64 0.00 1.68 1.01 -1.26 -4.95 120.40 120.26 1xnr s VAL 86 Ca 0.47 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1xnr s VAL 86 Cb -0.26 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1xnr s VAL 86 CO 0.32 0.46 0.00 0.54 0.00 0.00 0.00 175.10 176.42 1xnr n ARG 87 N 4.08 0.00 0.00 2.72 1.74 -1.26 -5.27 116.66 118.67 1xnr n ARG 87 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1xnr n ARG 87 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1xnr n ARG 87 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28