#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urn n VAL 3 N 0.00 0.25 -0.00 0.00 0.24 -1.26 -4.98 118.33 112.58 1urn n VAL 3 Ca 0.00 -4.40 0.14 0.00 -2.04 0.00 0.00 64.34 58.04 1urn n VAL 3 Cb 0.00 -1.93 0.59 0.00 -1.47 0.00 0.00 33.84 31.03 1urn n VAL 3 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1urn h PRO 4 N 3.99 0.20 0.00 7.34 0.13 -1.95 -2.09 132.00 139.62 1urn h PRO 4 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1urn h PRO 4 Cb 0.82 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1urn h PRO 4 CO 0.57 0.13 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 1urn n GLU 5 N -4.45 0.18 0.00 0.86 0.00 -1.26 -1.92 120.64 114.04 1urn n GLU 5 Ca 0.08 0.48 0.11 0.00 0.00 0.00 0.00 57.16 57.83 1urn n GLU 5 Cb 0.41 -1.90 0.05 0.00 0.00 0.00 0.00 31.44 30.01 1urn n GLU 5 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1urn n THR 6 N -2.24 0.00 -3.41 3.84 -2.24 -0.78 -0.79 114.28 108.66 1urn n THR 6 Ca 0.01 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 1urn n THR 6 Cb 0.18 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.09 1urn n THR 6 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1urn s ARG 7 N -2.89 4.17 0.20 -0.78 0.52 -0.81 -4.95 118.95 114.42 1urn s ARG 7 Ca 0.12 0.17 -0.29 0.00 -0.52 0.00 0.00 55.73 55.21 1urn s ARG 7 Cb 0.17 -3.53 -0.16 0.00 0.52 0.00 0.00 34.95 31.94 1urn s ARG 7 CO 0.75 -0.03 0.72 -2.30 0.02 0.00 0.00 175.30 174.46 1urn n PRO 8 N 4.44 0.38 -3.76 3.54 -0.02 -1.26 -4.77 135.00 133.55 1urn n PRO 8 Ca -0.09 0.14 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 1urn n PRO 8 Cb 0.51 -1.29 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 1urn n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1urn s ASN 9 N -0.75 -0.05 0.52 2.55 3.84 -1.26 -5.04 114.94 114.74 1urn s ASN 9 Ca 0.66 -0.45 0.21 0.00 0.21 0.00 0.00 52.86 53.49 1urn s ASN 9 Cb -0.90 0.39 1.36 0.00 -0.55 0.00 0.00 41.25 41.55 1urn s ASN 9 CO 0.57 -0.75 2.11 0.45 -2.79 0.00 0.00 177.10 176.69 1urn h HIS 10 N 2.69 0.00 -3.34 0.43 3.86 -1.88 -3.43 115.15 113.48 1urn h HIS 10 Ca -0.34 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.22 1urn h HIS 10 Cb 1.22 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.51 1urn h HIS 10 CO 0.39 0.08 -0.64 0.99 0.86 0.00 0.00 177.93 179.62 1urn s THR 11 N -4.66 4.17 -0.01 2.45 2.01 -1.26 -0.20 115.64 118.14 1urn s THR 11 Ca -0.04 -0.28 -0.00 0.00 0.31 0.00 0.00 61.69 61.68 1urn s THR 11 Cb 0.15 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1urn s THR 11 CO 0.63 0.55 0.06 0.27 -0.69 0.00 0.00 174.62 175.44 1urn s ILE 12 N -0.27 4.57 -0.21 1.82 -4.36 -0.29 -0.16 121.20 122.30 1urn s ILE 12 Ca 0.06 -0.45 -0.04 0.00 -0.26 0.00 0.00 60.65 59.96 1urn s ILE 12 Cb -0.12 -3.07 -0.01 0.00 1.25 0.00 0.00 42.46 40.50 1urn s ILE 12 CO 0.02 0.37 -0.03 -0.47 0.24 0.00 0.00 174.94 175.07 1urn s TYR 13 N -1.15 2.97 -0.12 1.37 5.04 0.48 -0.97 117.35 124.96 1urn s TYR 13 Ca 0.22 -0.78 0.01 0.00 -2.44 0.00 0.00 57.07 54.07 1urn s TYR 13 Cb -0.12 -2.09 -0.01 0.00 0.35 0.00 0.00 41.96 40.09 1urn s TYR 13 CO 0.12 -0.45 -0.15 0.42 -1.34 0.00 0.00 175.55 174.16 1urn s ILE 14 N 1.32 2.92 0.15 3.14 1.01 0.48 -0.77 121.20 129.45 1urn s ILE 14 Ca 0.04 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1urn s ILE 14 Cb -0.14 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1urn s ILE 14 CO -0.01 0.53 0.06 -0.46 0.00 0.00 0.00 174.94 175.06 1urn n ASN 15 N 3.46 0.88 -1.56 3.58 6.94 -0.25 -0.80 115.26 127.52 1urn n ASN 15 Ca -0.18 -1.80 -0.13 0.00 -0.02 0.00 0.00 54.58 52.45 1urn n ASN 15 Cb 0.53 0.41 -0.00 0.00 -2.36 0.00 0.00 39.78 38.35 1urn n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1urn n ASN 16 N -1.94 -4.13 -4.86 0.53 5.15 -1.15 -2.38 115.26 106.48 1urn n ASN 16 Ca -0.02 -0.03 -0.32 0.00 -0.60 0.00 0.00 54.58 53.61 1urn n ASN 16 Cb 0.22 -3.28 -0.06 0.00 -0.53 0.00 0.00 39.78 36.13 1urn n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1urn s LEU 17 N -3.85 4.10 -0.51 1.20 1.43 -0.65 -4.64 118.68 115.76 1urn s LEU 17 Ca 0.02 1.15 -0.28 0.00 -1.03 0.00 0.00 54.13 54.00 1urn s LEU 17 Cb -0.01 -3.94 -0.01 0.00 0.03 0.00 0.00 46.19 42.26 1urn s LEU 17 CO 0.03 -0.16 1.68 0.21 0.23 0.00 0.00 176.35 178.34 1urn s ASN 18 N -2.30 5.76 0.39 2.29 3.84 -1.26 -4.58 114.94 119.09 1urn s ASN 18 Ca 0.52 0.60 0.27 0.00 0.21 0.00 0.00 52.86 54.46 1urn s ASN 18 Cb -0.11 -2.53 1.41 0.00 -0.55 0.00 0.00 41.25 39.47 1urn s ASN 18 CO 0.19 -1.94 1.83 -0.33 -2.79 0.00 0.00 177.10 174.06 1urn h GLU 19 N 12.94 0.00 0.00 0.43 5.08 -1.93 -2.58 114.58 128.51 1urn h GLU 19 Ca -0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1urn h GLU 19 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1urn h GLU 19 CO 1.15 0.00 -0.17 0.87 -1.00 0.00 0.00 179.01 179.86 1urn h LYS 20 N 0.00 0.00 -6.44 2.33 6.56 -2.00 -3.44 116.57 113.57 1urn h LYS 20 Ca 0.00 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.05 1urn h LYS 20 Cb 0.09 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1urn h LYS 20 CO 0.00 0.17 0.83 0.42 -2.06 0.00 0.00 179.45 178.81 1urn s ILE 21 N -3.39 3.44 0.63 1.86 -1.09 -0.98 -4.98 121.20 116.69 1urn s ILE 21 Ca 0.03 0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 59.21 1urn s ILE 21 Cb 0.08 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1urn s ILE 21 CO 0.65 0.02 1.11 -0.54 -1.23 0.00 0.00 174.94 174.94 1urn s LYS 22 N 2.04 2.96 0.18 2.79 1.02 -1.26 -4.79 119.74 122.68 1urn s LYS 22 Ca 0.66 1.40 -0.14 0.00 0.02 0.00 0.00 55.97 57.91 1urn s LYS 22 Cb -0.35 -1.97 0.16 0.00 -0.52 0.00 0.00 37.83 35.15 1urn s LYS 22 CO 0.29 -1.13 1.70 -0.22 -0.92 0.00 0.00 175.35 175.07 1urn h LYS 23 N 0.26 0.16 -0.24 1.68 3.64 -1.96 -0.21 116.57 119.90 1urn h LYS 23 Ca -0.47 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1urn h LYS 23 Cb 1.24 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1urn h LYS 23 CO 0.55 0.10 0.14 -0.44 -2.27 0.00 0.00 179.45 177.53 1urn h ASP 24 N 0.16 0.22 -0.57 4.20 3.32 -1.99 -0.06 116.42 121.70 1urn h ASP 24 Ca 0.23 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 1urn h ASP 24 Cb 0.32 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1urn h ASP 24 CO -0.35 0.16 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.22 1urn h GLU 25 N 0.28 1.04 -0.26 3.56 4.81 -1.92 -0.96 114.58 121.13 1urn h GLU 25 Ca 0.09 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1urn h GLU 25 Cb 0.00 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1urn h GLU 25 CO -0.05 1.04 0.09 1.25 -0.73 0.00 0.00 179.01 180.62 1urn h LEU 26 N 0.93 0.11 -0.52 1.64 5.85 -0.66 -0.32 115.31 122.34 1urn h LEU 26 Ca 0.16 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1urn h LEU 26 Cb 0.60 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1urn h LEU 26 CO 0.04 0.10 0.09 0.11 -0.34 0.00 0.00 178.44 178.43 1urn h LYS 27 N 0.22 0.85 -0.67 1.25 1.57 -0.87 -0.70 116.57 118.22 1urn h LYS 27 Ca 0.12 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1urn h LYS 27 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1urn h LYS 27 CO -0.12 0.84 0.33 -0.22 -0.57 0.00 0.00 179.45 179.71 1urn h LYS 28 N 0.74 0.96 -0.38 3.15 3.64 -0.97 -1.22 116.57 122.48 1urn h LYS 28 Ca 0.16 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1urn h LYS 28 Cb 0.39 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1urn h LYS 28 CO 0.01 0.76 -0.29 0.77 -2.27 0.00 0.00 179.45 178.42 1urn h SER 29 N 0.93 0.85 -0.61 4.20 0.02 -0.88 -1.74 113.55 116.31 1urn h SER 29 Ca 0.23 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 1urn h SER 29 Cb 0.11 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1urn h SER 29 CO -0.03 1.08 0.04 -0.07 -1.14 0.00 0.00 176.83 176.71 1urn h LEU 30 N 0.69 1.03 -0.25 5.07 3.38 -0.86 -2.51 115.31 121.86 1urn h LEU 30 Ca 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1urn h LEU 30 Cb 0.84 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1urn h LEU 30 CO 0.07 1.05 0.09 -0.74 0.09 0.00 0.00 178.44 179.00 1urn h HIS 31 N 0.98 0.40 -0.80 1.13 2.76 -1.15 0.84 115.15 119.31 1urn h HIS 31 Ca 0.18 -0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.41 1urn h HIS 31 Cb 0.50 -0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.27 1urn h HIS 31 CO 0.04 0.44 0.44 0.00 -1.30 0.00 0.00 177.93 177.55 1urn h ALA 32 N 0.92 1.14 0.26 5.26 0.00 -1.13 0.13 119.26 125.84 1urn h ALA 32 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1urn h ALA 32 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1urn h ALA 32 CO -0.00 0.05 -0.12 0.82 0.00 0.00 0.00 179.25 180.00 1urn h ILE 33 N 0.74 0.00 0.00 0.00 2.04 -1.31 -3.40 117.51 115.58 1urn h ILE 33 Ca 0.39 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1urn h ILE 33 Cb 0.39 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1urn h ILE 33 CO -0.26 0.00 -0.16 -0.26 0.00 0.00 0.00 178.15 177.47 1urn h PHE 34 N -1.01 0.00 0.00 1.37 0.04 -0.79 -3.25 116.94 113.30 1urn h PHE 34 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1urn h PHE 34 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1urn h PHE 34 CO 0.01 0.16 0.00 0.66 -0.60 0.00 0.00 178.31 178.54 1urn h SER 35 N 0.00 0.00 0.67 2.17 4.64 -0.91 -2.20 113.55 117.92 1urn h SER 35 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1urn h SER 35 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1urn h SER 35 CO 0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 1urn n ARG 36 N -2.74 0.05 0.02 4.77 5.12 -1.23 -2.65 116.66 120.00 1urn n ARG 36 Ca 0.00 0.24 0.12 0.00 -1.93 0.00 0.00 57.85 56.28 1urn n ARG 36 Cb 0.21 -1.58 0.12 0.00 -1.16 0.00 0.00 32.46 30.05 1urn n ARG 36 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1urn n PHE 37 N -1.68 0.16 0.00 -1.55 3.72 -0.83 -5.05 117.46 112.23 1urn n PHE 37 Ca 0.04 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1urn n PHE 37 Cb 0.22 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1urn n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1urn n GLY 38 N 1.44 1.44 3.71 1.37 0.00 -1.08 -4.45 105.19 107.61 1urn n GLY 38 Ca 0.04 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1urn n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1urn s GLN 39 N -1.80 4.18 -0.22 1.61 -0.21 -1.26 -4.57 119.66 117.39 1urn s GLN 39 Ca 0.00 2.43 -0.11 0.00 0.02 0.00 0.00 55.36 57.69 1urn s GLN 39 Cb 0.00 -3.35 -0.05 0.00 1.00 0.00 0.00 33.01 30.61 1urn s GLN 39 CO 0.00 -0.71 0.20 0.42 -2.12 0.00 0.00 175.29 173.09 1urn s ILE 40 N 1.86 5.34 0.03 1.08 1.01 -1.26 -0.79 121.20 128.47 1urn s ILE 40 Ca 0.74 0.29 -0.15 0.00 0.00 0.00 0.00 60.65 61.53 1urn s ILE 40 Cb -0.44 -3.54 -0.35 0.00 0.01 0.00 0.00 42.46 38.14 1urn s ILE 40 CO 0.32 0.35 1.01 -0.07 0.00 0.00 0.00 174.94 176.56 1urn h LEU 41 N 7.30 0.82 -7.06 2.97 3.38 -0.11 -3.47 115.31 119.14 1urn h LEU 41 Ca -0.39 -0.88 0.15 0.00 0.09 0.00 0.00 57.88 56.85 1urn h LEU 41 Cb 1.16 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 1urn h LEU 41 CO 0.69 1.68 0.56 -0.62 0.09 0.00 0.00 178.44 180.85 1urn s ASP 42 N -7.56 -0.30 -0.18 -0.43 2.15 -1.14 -5.00 116.67 104.20 1urn s ASP 42 Ca -0.09 -0.03 -0.01 0.00 0.43 0.00 0.00 52.55 52.85 1urn s ASP 42 Cb 0.04 0.34 0.05 0.00 -0.30 0.00 0.00 42.92 43.06 1urn s ASP 42 CO 0.94 -0.57 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.71 1urn s ILE 43 N -2.99 1.09 -0.24 4.11 1.01 -1.26 -0.21 121.20 122.71 1urn s ILE 43 Ca 0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 1urn s ILE 43 Cb -0.01 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1urn s ILE 43 CO -0.07 0.03 0.11 -0.76 0.00 0.00 0.00 174.94 174.25 1urn s LEU 44 N 1.63 3.78 -0.05 2.97 1.43 0.49 -4.96 118.68 123.96 1urn s LEU 44 Ca -0.01 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1urn s LEU 44 Cb -0.16 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1urn s LEU 44 CO -0.07 0.03 -0.09 -0.69 0.23 0.00 0.00 176.35 175.76 1urn s VAL 45 N 1.25 0.83 0.00 -1.59 1.01 -1.26 -1.87 120.40 118.77 1urn s VAL 45 Ca 0.06 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1urn s VAL 45 Cb -0.14 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1urn s VAL 45 CO 0.05 0.28 -0.16 -0.55 0.00 0.00 0.00 175.10 174.72 1urn s SER 46 N 0.69 1.93 -0.12 3.32 0.15 -1.26 -5.05 113.70 113.36 1urn s SER 46 Ca -0.12 -0.35 0.15 0.00 0.70 0.00 0.00 55.95 56.34 1urn s SER 46 Cb -0.14 -0.19 0.54 0.00 -1.71 0.00 0.00 66.02 64.51 1urn s SER 46 CO 0.02 0.17 1.45 0.54 1.20 0.00 0.00 173.24 176.62 1urn n ARG 47 N 2.44 3.26 -0.85 5.44 1.74 -1.26 -2.98 116.66 124.46 1urn n ARG 47 Ca -0.15 -2.67 -0.30 0.00 -0.77 0.00 0.00 57.85 53.95 1urn n ARG 47 Cb 0.54 -1.74 0.18 0.00 -1.02 0.00 0.00 32.46 30.42 1urn n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1urn s SER 48 N -1.38 2.65 0.25 0.55 1.04 -1.26 -4.51 113.70 111.04 1urn s SER 48 Ca 0.40 1.77 -0.04 0.00 0.48 0.00 0.00 55.95 58.57 1urn s SER 48 Cb 0.29 -2.38 0.42 0.00 0.10 0.00 0.00 66.02 64.45 1urn s SER 48 CO 0.15 -3.20 1.80 0.25 0.98 0.00 0.00 173.24 173.22 1urn h LEU 49 N -1.93 0.64 -0.17 2.42 5.85 -1.97 -0.73 115.31 119.41 1urn h LEU 49 Ca -0.50 0.06 -0.22 0.00 0.84 0.00 0.00 57.88 58.05 1urn h LEU 49 Cb 1.29 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 42.26 1urn h LEU 49 CO 0.48 0.35 -0.81 0.50 -0.34 0.00 0.00 178.44 178.62 1urn h LYS 50 N 0.75 0.72 -0.02 1.25 1.63 -1.97 -3.36 116.57 115.58 1urn h LYS 50 Ca 0.41 -0.62 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 1urn h LYS 50 Cb 0.42 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1urn h LYS 50 CO -0.27 1.22 -0.26 -1.33 -3.45 0.00 0.00 179.45 175.36 1urn n MET 51 N -3.91 1.59 -1.69 1.90 2.81 -1.08 -4.99 117.12 111.75 1urn n MET 51 Ca -0.07 -1.27 -0.34 0.00 -1.81 0.00 0.00 57.70 54.20 1urn n MET 51 Cb 0.76 -1.47 0.06 0.00 -0.71 0.00 0.00 33.22 31.86 1urn n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1urn s ARG 52 N -2.29 2.55 0.00 0.03 1.70 -0.30 -3.06 118.95 117.59 1urn s ARG 52 Ca 0.24 1.67 0.00 0.00 -0.47 0.00 0.00 55.73 57.17 1urn s ARG 52 Cb 0.19 -1.89 0.00 0.00 -0.57 0.00 0.00 34.95 32.68 1urn s ARG 52 CO 0.46 -1.50 0.00 0.41 -1.08 0.00 0.00 175.30 173.59 1urn n GLY 53 N 0.17 0.37 3.20 3.88 0.00 -1.26 -4.98 105.19 106.57 1urn n GLY 53 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1urn n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1urn s GLN 54 N -0.54 0.91 0.02 1.61 -0.21 -1.17 -1.64 119.66 118.63 1urn s GLN 54 Ca 0.00 -1.35 -0.21 0.00 0.02 0.00 0.00 55.36 53.82 1urn s GLN 54 Cb 0.00 -0.37 0.04 0.00 1.00 0.00 0.00 33.01 33.68 1urn s GLN 54 CO 0.00 0.02 0.47 0.00 -2.12 0.00 0.00 175.29 173.66 1urn s ALA 55 N -3.40 -1.18 -0.14 6.09 0.00 0.02 -4.47 121.76 118.67 1urn s ALA 55 Ca 0.13 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1urn s ALA 55 Cb 0.04 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1urn s ALA 55 CO -0.03 -0.43 -0.20 -0.06 0.00 0.00 0.00 175.76 175.04 1urn s PHE 56 N -2.12 2.55 -0.23 0.00 0.40 -0.78 -0.39 117.98 117.41 1urn s PHE 56 Ca -0.07 -1.33 -0.03 0.00 -0.60 0.00 0.00 56.93 54.90 1urn s PHE 56 Cb -0.01 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.77 1urn s PHE 56 CO 0.01 -0.63 -0.05 0.08 0.70 0.00 0.00 175.22 175.32 1urn s VAL 57 N 0.97 3.17 -0.27 -0.44 1.01 -0.14 -0.38 120.40 124.32 1urn s VAL 57 Ca -0.04 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1urn s VAL 57 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1urn s VAL 57 CO -0.04 0.33 0.23 -0.63 0.00 0.00 0.00 175.10 174.99 1urn s ILE 58 N 1.42 5.28 0.15 2.22 1.01 0.71 -1.14 121.20 130.85 1urn s ILE 58 Ca 0.04 0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.99 1urn s ILE 58 Cb -0.15 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1urn s ILE 58 CO -0.04 0.24 0.27 -0.36 0.00 0.00 0.00 174.94 175.05 1urn s PHE 59 N 1.73 3.46 0.18 3.97 0.08 0.73 0.62 117.98 128.75 1urn s PHE 59 Ca 0.09 0.11 -0.04 0.00 0.12 0.00 0.00 56.93 57.21 1urn s PHE 59 Cb -0.16 -1.66 0.08 0.00 -0.57 0.00 0.00 43.02 40.72 1urn s PHE 59 CO 0.10 0.52 1.49 -0.22 -0.10 0.00 0.00 175.22 177.01 1urn h LYS 60 N 2.17 0.59 -6.64 0.44 3.64 -1.26 -3.44 116.57 112.08 1urn h LYS 60 Ca -0.48 -0.38 -0.69 0.00 -1.27 0.00 0.00 60.65 57.83 1urn h LYS 60 Cb 1.19 0.04 -0.24 0.00 -0.41 0.00 0.00 32.23 32.82 1urn h LYS 60 CO 0.68 0.99 -0.84 -1.21 -2.27 0.00 0.00 179.45 176.81 1urn s GLU 61 N -4.00 1.97 0.26 1.90 0.41 -1.26 -5.04 118.70 112.93 1urn s GLU 61 Ca -0.08 -1.03 -0.03 0.00 -0.41 0.00 0.00 54.97 53.42 1urn s GLU 61 Cb 0.11 -2.11 0.33 0.00 -1.78 0.00 0.00 34.13 30.68 1urn s GLU 61 CO 0.85 0.53 1.78 0.28 -0.49 0.00 0.00 175.26 178.21 1urn h VAL 62 N 4.07 1.24 -0.02 2.63 2.07 -1.87 -2.58 116.25 121.78 1urn h VAL 62 Ca -0.47 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1urn h VAL 62 Cb 1.15 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1urn h VAL 62 CO 0.46 0.33 -0.08 0.77 0.02 0.00 0.00 177.57 179.07 1urn h SER 63 N 0.83 0.03 -0.63 0.57 4.64 -1.96 -0.59 113.55 116.44 1urn h SER 63 Ca 0.17 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1urn h SER 63 Cb 0.36 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1urn h SER 63 CO 0.01 0.12 0.19 0.28 -0.87 0.00 0.00 176.83 176.56 1urn h SER 64 N 0.03 0.93 -0.39 4.97 0.02 -1.68 0.25 113.55 117.68 1urn h SER 64 Ca 0.01 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1urn h SER 64 Cb 0.17 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1urn h SER 64 CO 0.01 0.89 0.05 0.00 -1.14 0.00 0.00 176.83 176.64 1urn h ALA 65 N 1.07 0.52 -0.05 3.77 0.00 -1.23 -0.05 119.26 123.29 1urn h ALA 65 Ca 0.20 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1urn h ALA 65 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1urn h ALA 65 CO -0.01 0.25 -0.60 1.79 0.00 0.00 0.00 179.25 180.68 1urn h THR 66 N 0.50 1.40 -0.36 0.00 1.35 -0.95 -0.50 112.91 114.35 1urn h THR 66 Ca 0.12 -1.99 -0.10 0.00 -0.55 0.00 0.00 66.41 63.88 1urn h THR 66 Cb 0.39 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1urn h THR 66 CO 0.01 0.58 -0.17 0.78 -0.25 0.00 0.00 175.52 176.47 1urn h ASN 67 N 0.13 0.77 -0.14 5.36 2.35 -0.78 -2.06 115.58 121.21 1urn h ASN 67 Ca -0.01 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1urn h ASN 67 Cb 1.09 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1urn h ASN 67 CO 0.09 1.00 0.09 0.00 -1.65 0.00 0.00 177.43 176.96 1urn h ALA 68 N 0.79 0.18 0.51 -0.83 0.00 -0.86 -0.19 119.26 118.85 1urn h ALA 68 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1urn h ALA 68 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1urn h ALA 68 CO 0.05 -0.32 -0.25 1.25 0.00 0.00 0.00 179.25 179.99 1urn h LEU 69 N 0.16 -0.58 -0.91 0.00 6.46 -1.03 -1.58 115.31 117.83 1urn h LEU 69 Ca 0.05 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1urn h LEU 69 Cb 0.02 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 1urn h LEU 69 CO -0.01 -0.41 0.40 0.03 -0.62 0.00 0.00 178.44 177.82 1urn h ARG 70 N -0.68 1.18 0.00 1.25 3.08 -1.38 -1.50 114.38 116.33 1urn h ARG 70 Ca -0.07 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 1urn h ARG 70 Cb 0.52 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1urn h ARG 70 CO 0.11 0.91 -0.62 0.77 -1.07 0.00 0.00 179.97 180.07 1urn h SER 71 N 1.17 0.00 -0.06 7.04 0.02 -0.96 -3.34 113.55 117.42 1urn h SER 71 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1urn h SER 71 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1urn h SER 71 CO -0.04 0.62 0.00 0.23 -1.14 0.00 0.00 176.83 176.50 1urn n MET 72 N -3.74 0.65 -1.67 3.45 2.81 -0.60 -4.95 117.12 113.06 1urn n MET 72 Ca -0.01 -1.15 -0.46 0.00 -1.81 0.00 0.00 57.70 54.27 1urn n MET 72 Cb 0.63 -1.16 -0.04 0.00 -0.71 0.00 0.00 33.22 31.94 1urn n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1urn n GLN 73 N 0.39 2.22 -0.83 0.03 -0.06 -0.57 -1.64 117.38 116.92 1urn n GLN 73 Ca 0.05 0.80 0.00 0.00 -2.00 0.00 0.00 57.00 55.86 1urn n GLN 73 Cb 0.23 -2.59 0.00 0.00 -4.06 0.00 0.00 30.24 23.82 1urn n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1urn n GLY 74 N 3.58 0.45 3.72 1.69 0.00 0.71 -4.96 105.19 110.39 1urn n GLY 74 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1urn n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1urn s PHE 75 N -2.28 3.44 0.20 1.61 2.19 -0.65 -4.18 117.98 118.31 1urn s PHE 75 Ca 0.00 1.34 -0.32 0.00 0.33 0.00 0.00 56.93 58.28 1urn s PHE 75 Cb 0.00 -3.43 -0.12 0.00 -1.31 0.00 0.00 43.02 38.16 1urn s PHE 75 CO 0.00 -1.26 1.73 -2.30 1.83 0.00 0.00 175.22 175.21 1urn n PRO 76 N 3.40 2.74 -3.66 10.12 -0.02 -1.26 -0.46 135.00 145.86 1urn n PRO 76 Ca 0.07 0.99 -0.19 0.00 -2.02 0.00 0.00 63.50 62.35 1urn n PRO 76 Cb 0.46 -2.83 -0.17 0.00 -0.02 0.00 0.00 33.50 30.93 1urn n PRO 76 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1urn s PHE 77 N 1.29 -0.04 -1.37 6.00 5.36 0.17 -4.79 117.98 124.60 1urn s PHE 77 Ca 0.76 0.38 -0.05 0.00 -0.96 0.00 0.00 56.93 57.06 1urn s PHE 77 Cb -0.52 -0.39 0.03 0.00 -0.34 0.00 0.00 43.02 41.80 1urn s PHE 77 CO 0.33 -0.25 0.85 0.66 -1.46 0.00 0.00 175.22 175.36 1urn n TYR 78 N 5.31 -2.14 -1.73 10.12 4.01 -1.26 -2.13 117.16 129.34 1urn n TYR 78 Ca -0.04 0.89 -0.18 0.00 -0.16 0.00 0.00 57.90 58.40 1urn n TYR 78 Cb 0.50 -4.39 -0.06 0.00 -0.31 0.00 0.00 39.34 35.07 1urn n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1urn n ASP 79 N -2.99 -4.91 -3.85 7.72 8.00 -1.26 -4.72 116.55 114.53 1urn n ASP 79 Ca -0.17 0.36 -0.16 0.00 0.71 0.00 0.00 54.79 55.53 1urn n ASP 79 Cb 0.62 -4.33 -0.16 0.00 -0.02 0.00 0.00 41.12 37.24 1urn n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1urn s LYS 80 N -3.88 0.30 0.11 -1.24 1.02 -0.91 -5.07 119.74 110.08 1urn s LYS 80 Ca 0.00 0.01 -0.31 0.00 0.02 0.00 0.00 55.97 55.69 1urn s LYS 80 Cb 0.00 -0.42 -0.09 0.00 -0.52 0.00 0.00 37.83 36.81 1urn s LYS 80 CO 0.00 -0.07 1.58 -1.25 -0.92 0.00 0.00 175.35 174.69 1urn s PRO 81 N 0.67 4.22 0.30 -1.68 0.04 -1.26 0.45 135.00 137.74 1urn s PRO 81 Ca -0.07 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 1urn s PRO 81 Cb -0.10 -3.39 -0.10 0.00 0.04 0.00 0.00 34.50 30.96 1urn s PRO 81 CO -0.01 -0.65 1.24 -1.64 0.04 0.00 0.00 177.00 175.98 1urn s MET 82 N 1.89 4.45 -0.31 4.56 -1.94 0.39 -4.82 119.30 123.53 1urn s MET 82 Ca 0.71 2.06 -0.08 0.00 -1.71 0.00 0.00 55.69 56.68 1urn s MET 82 Cb -0.41 -3.13 0.01 0.00 2.01 0.00 0.00 34.83 33.32 1urn s MET 82 CO 0.31 -0.07 0.10 1.03 -0.01 0.00 0.00 175.02 176.39 1urn s ARG 83 N -1.45 3.09 -0.08 2.03 1.81 -1.00 -0.20 118.95 123.14 1urn s ARG 83 Ca 0.48 -0.87 0.03 0.00 -1.72 0.00 0.00 55.73 53.66 1urn s ARG 83 Cb -0.37 -3.43 -0.02 0.00 -0.45 0.00 0.00 34.95 30.68 1urn s ARG 83 CO 0.47 -0.47 -0.18 0.42 -0.68 0.00 0.00 175.30 174.86 1urn s ILE 84 N 1.52 2.65 0.33 1.52 1.01 -1.26 -1.09 121.20 125.87 1urn s ILE 84 Ca 0.03 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1urn s ILE 84 Cb -0.17 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1urn s ILE 84 CO 0.03 0.56 0.14 -1.10 0.00 0.00 0.00 174.94 174.57 1urn s GLN 85 N -0.10 1.68 0.14 2.79 -0.21 0.05 -4.99 119.66 119.02 1urn s GLN 85 Ca -0.03 -1.97 -0.11 0.00 0.02 0.00 0.00 55.36 53.27 1urn s GLN 85 Cb -0.14 -0.32 -0.06 0.00 1.00 0.00 0.00 33.01 33.49 1urn s GLN 85 CO 0.04 -0.42 0.47 0.71 -2.12 0.00 0.00 175.29 173.97 1urn s TYR 86 N -3.48 3.55 0.49 0.91 2.02 0.03 -0.39 117.35 120.49 1urn s TYR 86 Ca 0.33 0.87 -0.24 0.00 -0.37 0.00 0.00 57.07 57.66 1urn s TYR 86 Cb 0.05 -2.23 -0.07 0.00 -0.40 0.00 0.00 41.96 39.31 1urn s TYR 86 CO 0.17 0.43 1.34 0.00 -1.57 0.00 0.00 175.55 175.91 1urn n ALA 87 N 0.58 1.56 -0.17 3.71 0.00 0.77 -4.38 120.51 122.58 1urn n ALA 87 Ca -0.05 0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1urn n ALA 87 Cb 0.52 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1urn n ALA 87 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1urn h LYS 88 N 1.80 0.92 -5.67 0.00 1.57 -1.90 -3.43 116.57 109.86 1urn h LYS 88 Ca -0.50 -0.32 -0.53 0.00 -1.87 0.00 0.00 60.65 57.43 1urn h LYS 88 Cb 1.29 -0.07 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 1urn h LYS 88 CO 0.59 0.98 -0.69 0.95 -0.57 0.00 0.00 179.45 180.70 1urn s THR 89 N -4.92 1.86 0.44 -0.16 -4.23 -1.26 -4.76 115.64 102.61 1urn s THR 89 Ca -0.12 -2.18 -0.24 0.00 -1.18 0.00 0.00 61.69 57.97 1urn s THR 89 Cb 0.12 -2.44 -0.08 0.00 1.34 0.00 0.00 72.50 71.44 1urn s THR 89 CO 0.84 -0.32 1.27 -1.81 -0.54 0.00 0.00 174.62 174.06 1urn s ASP 90 N -3.47 6.13 0.49 3.99 1.01 -1.26 -4.96 116.67 118.60 1urn s ASP 90 Ca 0.29 2.56 -0.21 0.00 0.71 0.00 0.00 52.55 55.90 1urn s ASP 90 Cb 0.02 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 1urn s ASP 90 CO 0.13 -0.97 1.11 -0.44 0.21 0.00 0.00 175.17 175.20 1urn s SER 91 N -0.96 6.10 0.22 0.27 0.01 -1.26 -4.77 113.70 113.31 1urn s SER 91 Ca 0.61 2.13 -0.09 0.00 1.31 0.00 0.00 55.95 59.91 1urn s SER 91 Cb -0.35 -2.58 0.34 0.00 0.21 0.00 0.00 66.02 63.63 1urn s SER 91 CO 0.44 -0.96 1.70 0.44 0.41 0.00 0.00 173.24 175.27 1urn h ASP 92 N 1.63 -0.00 -0.83 2.44 3.32 -1.97 0.16 116.42 121.16 1urn h ASP 92 Ca -0.50 0.12 0.14 0.00 0.02 0.00 0.00 57.03 56.82 1urn h ASP 92 Cb 1.24 0.17 -0.09 0.00 0.22 0.00 0.00 39.33 40.87 1urn h ASP 92 CO 0.59 -0.01 0.42 -0.29 -1.72 0.00 0.00 179.24 178.23 1urn h ILE 93 N 0.26 0.74 -0.08 0.35 2.10 -2.00 0.41 117.51 119.29 1urn h ILE 93 Ca 0.34 -0.21 -0.09 0.00 1.08 0.00 0.00 64.86 65.98 1urn h ILE 93 Cb 0.53 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.33 1urn h ILE 93 CO -0.44 0.11 -0.32 0.40 -1.08 0.00 0.00 178.15 176.83 1urn h ILE 94 N 0.61 1.42 0.00 2.19 1.08 -1.60 -3.14 117.51 118.06 1urn h ILE 94 Ca 0.45 -1.70 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 1urn h ILE 94 Cb 0.62 2.28 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1urn h ILE 94 CO -0.36 0.49 -0.03 0.00 -0.69 0.00 0.00 178.15 177.56 1urn h ALA 95 N 0.44 1.84 -0.26 1.87 0.00 0.27 -2.27 119.26 121.15 1urn h ALA 95 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1urn h ALA 95 Cb 0.96 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1urn h ALA 95 CO 0.07 0.04 -0.16 0.87 0.00 0.00 0.00 179.25 180.07 1urn h LYS 96 N 0.00 0.45 0.00 0.00 6.56 -0.18 -3.50 116.57 119.89 1urn h LYS 96 Ca -0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 1urn h LYS 96 Cb 0.06 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1urn h LYS 96 CO 0.00 0.60 0.00 -1.33 -2.06 0.00 0.00 179.45 176.66