#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urn s VAL 3 N 0.00 2.99 0.19 0.00 -7.23 -1.26 -4.90 120.40 110.19 1urn s VAL 3 Ca 0.00 0.51 -0.32 0.00 -1.81 0.00 0.00 61.98 60.35 1urn s VAL 3 Cb 0.00 -3.06 -0.15 0.00 0.56 0.00 0.00 36.38 33.72 1urn s VAL 3 CO 0.00 -0.24 1.19 -2.65 -0.31 0.00 0.00 175.10 173.09 1urn n PRO 4 N -2.20 1.29 -2.52 4.82 -0.02 -1.26 -4.87 135.00 130.23 1urn n PRO 4 Ca 0.11 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1urn n PRO 4 Cb 0.51 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 1urn n PRO 4 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1urn s GLU 5 N -0.42 3.78 0.00 -0.52 2.56 -1.26 -4.90 118.70 117.94 1urn s GLU 5 Ca 0.72 0.84 0.10 0.00 0.00 0.00 0.00 54.97 56.63 1urn s GLU 5 Cb -0.82 -3.90 0.25 0.00 2.00 0.00 0.00 34.13 31.66 1urn s GLU 5 CO 0.52 -1.30 1.17 0.25 -0.56 0.00 0.00 175.26 175.34 1urn n THR 6 N 6.63 0.83 -2.92 -1.70 -2.24 -1.26 -1.78 114.28 111.84 1urn n THR 6 Ca 0.13 -0.91 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 1urn n THR 6 Cb 0.48 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 1urn n THR 6 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1urn s ARG 7 N -0.98 4.22 0.33 -0.78 3.52 -1.26 -4.98 118.95 119.02 1urn s ARG 7 Ca 0.20 0.92 -0.26 0.00 -0.13 0.00 0.00 55.73 56.46 1urn s ARG 7 Cb 0.11 -3.61 -0.14 0.00 -1.56 0.00 0.00 34.95 29.75 1urn s ARG 7 CO 0.14 -0.42 0.80 -2.30 -0.81 0.00 0.00 175.30 172.71 1urn n PRO 8 N 5.63 0.91 -3.77 5.12 -0.02 -1.26 -4.76 135.00 136.85 1urn n PRO 8 Ca 0.04 0.32 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 1urn n PRO 8 Cb 0.48 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 32.27 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 -0.76 -0.06 0.50 2.55 3.84 -1.26 -5.03 114.94 114.72 1urn s ASN 9 Ca 0.61 -0.38 0.24 0.00 0.21 0.00 0.00 52.86 53.53 1urn s ASN 9 Cb -0.69 0.37 1.31 0.00 -0.55 0.00 0.00 41.25 41.69 1urn s ASN 9 CO 0.58 -0.70 2.04 0.45 -2.79 0.00 0.00 177.10 176.69 1urn h HIS 10 N 2.89 0.00 -3.15 0.43 3.86 -1.88 -3.43 115.15 113.87 1urn h HIS 10 Ca -0.33 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.26 1urn h HIS 10 Cb 1.21 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.56 1urn h HIS 10 CO 0.42 0.14 -0.51 0.99 0.86 0.00 0.00 177.93 179.83 1urn s THR 11 N -4.31 5.21 -0.08 2.45 2.01 -1.26 -0.79 115.64 118.87 1urn s THR 11 Ca -0.03 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 1urn s THR 11 Cb 0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1urn s THR 11 CO 0.62 0.49 0.08 0.27 -0.69 0.00 0.00 174.62 175.39 1urn s ILE 12 N 0.02 4.92 -0.27 1.82 -4.36 -0.25 0.01 121.20 123.08 1urn s ILE 12 Ca 0.08 -0.10 -0.06 0.00 -0.26 0.00 0.00 60.65 60.31 1urn s ILE 12 Cb -0.12 -3.15 0.00 0.00 1.25 0.00 0.00 42.46 40.44 1urn s ILE 12 CO -0.00 0.54 0.05 -0.47 0.24 0.00 0.00 174.94 175.30 1urn s TYR 13 N -1.03 3.10 -0.12 1.37 5.04 0.16 -1.41 117.35 124.46 1urn s TYR 13 Ca 0.17 -0.92 -0.02 0.00 -2.44 0.00 0.00 57.07 53.85 1urn s TYR 13 Cb -0.12 -2.21 -0.03 0.00 0.35 0.00 0.00 41.96 39.95 1urn s TYR 13 CO 0.06 -0.55 -0.03 0.42 -1.34 0.00 0.00 175.55 174.11 1urn s ILE 14 N 1.50 3.97 0.21 3.14 1.01 0.27 -0.64 121.20 130.66 1urn s ILE 14 Ca 0.04 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.37 1urn s ILE 14 Cb -0.16 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 1urn s ILE 14 CO 0.01 0.54 0.14 -0.46 0.00 0.00 0.00 174.94 175.18 1urn n ASN 15 N 2.90 0.05 -1.90 3.58 6.94 -0.11 -1.08 115.26 125.64 1urn n ASN 15 Ca -0.18 -2.31 -0.16 0.00 -0.02 0.00 0.00 54.58 51.91 1urn n ASN 15 Cb 0.53 0.89 0.00 0.00 -2.36 0.00 0.00 39.78 38.84 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 -2.07 -4.70 -4.83 0.53 5.15 -1.10 -2.11 115.26 106.13 1urn n ASN 16 Ca 0.02 -0.07 -0.37 0.00 -0.60 0.00 0.00 54.58 53.56 1urn n ASN 16 Cb 0.36 -3.76 -0.06 0.00 -0.53 0.00 0.00 39.78 35.79 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 -4.59 4.44 -0.15 1.20 1.43 -0.97 -4.64 118.68 115.41 1urn s LEU 17 Ca 0.06 1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.97 1urn s LEU 17 Cb -0.03 -2.95 -0.06 0.00 0.03 0.00 0.00 46.19 43.18 1urn s LEU 17 CO 0.08 0.22 2.13 0.21 0.23 0.00 0.00 176.35 179.21 1urn s ASN 18 N -1.35 5.77 0.10 2.29 3.84 -1.26 -4.52 114.94 119.81 1urn s ASN 18 Ca 0.31 2.11 0.15 0.00 0.21 0.00 0.00 52.86 55.63 1urn s ASN 18 Cb -0.17 -2.52 0.64 0.00 -0.55 0.00 0.00 41.25 38.66 1urn s ASN 18 CO 0.18 -1.68 1.45 -0.62 -2.79 0.00 0.00 177.10 173.64 1urn n GLU 19 N 8.37 0.06 0.22 0.43 1.02 -1.26 -2.33 120.64 127.16 1urn n GLU 19 Ca 0.26 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.91 1urn n GLU 19 Cb 0.44 -1.64 0.24 0.00 -0.02 0.00 0.00 31.44 30.46 1urn n GLU 19 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1urn h LYS 20 N 0.00 0.00 -6.26 3.49 -0.00 -1.99 -3.44 116.57 108.36 1urn h LYS 20 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 60.65 60.09 1urn h LYS 20 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.41 1urn h LYS 20 CO 0.00 0.04 0.83 0.42 -0.00 0.00 0.00 179.45 180.74 1urn s ILE 21 N -3.27 4.09 0.66 0.07 -1.09 -0.98 -4.99 121.20 115.68 1urn s ILE 21 Ca 0.06 1.39 -0.14 0.00 -2.23 0.00 0.00 60.65 59.73 1urn s ILE 21 Cb 0.06 -3.90 -0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1urn s ILE 21 CO 0.66 -0.05 1.08 -0.54 -1.23 0.00 0.00 174.94 174.85 1urn s LYS 22 N 2.86 2.95 0.20 2.79 1.02 -1.26 -4.77 119.74 123.52 1urn s LYS 22 Ca 0.59 1.21 -0.15 0.00 0.02 0.00 0.00 55.97 57.63 1urn s LYS 22 Cb -0.26 -1.98 0.19 0.00 -0.52 0.00 0.00 37.83 35.26 1urn s LYS 22 CO 0.21 -1.11 1.63 -0.22 -0.92 0.00 0.00 175.35 174.94 1urn h LYS 23 N -0.11 -0.03 -0.29 1.68 3.64 -1.96 0.16 116.57 119.65 1urn h LYS 23 Ca -0.46 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1urn h LYS 23 Cb 1.23 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1urn h LYS 23 CO 0.55 -0.02 0.07 -0.44 -2.27 0.00 0.00 179.45 177.35 1urn h ASP 24 N -0.03 0.45 -0.64 4.20 3.32 -1.99 -1.99 116.42 119.74 1urn h ASP 24 Ca 0.27 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1urn h ASP 24 Cb 0.44 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1urn h ASP 24 CO -0.59 0.57 0.06 -0.08 -1.72 0.00 0.00 179.24 177.47 1urn h GLU 25 N 0.31 1.09 -0.20 3.56 4.81 -1.87 -1.75 114.58 120.52 1urn h GLU 25 Ca 0.09 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1urn h GLU 25 Cb 0.29 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1urn h GLU 25 CO 0.00 1.03 0.11 1.25 -0.73 0.00 0.00 179.01 180.68 1urn h LEU 26 N 1.01 0.25 -0.80 1.64 5.85 -0.87 -0.34 115.31 122.05 1urn h LEU 26 Ca 0.19 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1urn h LEU 26 Cb 0.50 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1urn h LEU 26 CO 0.02 0.26 0.45 0.11 -0.34 0.00 0.00 178.44 178.94 1urn h LYS 27 N 0.23 1.11 -0.42 1.25 1.57 -1.30 0.88 116.57 119.89 1urn h LYS 27 Ca 0.07 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1urn h LYS 27 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1urn h LYS 27 CO -0.01 0.81 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.36 1urn h LYS 28 N 1.11 0.81 -0.38 3.15 3.64 -1.13 -0.02 116.57 123.75 1urn h LYS 28 Ca 0.28 -0.31 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 1urn h LYS 28 Cb 0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1urn h LYS 28 CO -0.05 0.93 -0.31 0.77 -2.27 0.00 0.00 179.45 178.52 1urn h SER 29 N 0.63 0.86 -0.35 4.20 0.02 -0.86 -2.05 113.55 116.00 1urn h SER 29 Ca 0.11 -0.36 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 1urn h SER 29 Cb 0.63 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1urn h SER 29 CO 0.04 1.10 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.69 1urn h LEU 30 N 0.70 0.67 -0.57 5.07 3.38 -0.72 -2.48 115.31 121.37 1urn h LEU 30 Ca 0.08 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1urn h LEU 30 Cb 0.86 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1urn h LEU 30 CO 0.08 0.88 0.34 -0.74 0.09 0.00 0.00 178.44 179.08 1urn h HIS 31 N 0.46 0.75 -0.97 1.13 2.76 -0.93 -0.29 115.15 118.06 1urn h HIS 31 Ca 0.09 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1urn h HIS 31 Cb 0.58 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 1urn h HIS 31 CO 0.05 0.51 0.64 0.00 -1.30 0.00 0.00 177.93 177.83 1urn h ALA 32 N 1.17 1.32 0.16 5.26 0.00 -1.29 -1.62 119.26 124.26 1urn h ALA 32 Ca 0.20 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 1urn h ALA 32 Cb -0.02 -0.38 0.02 0.00 0.00 0.00 0.00 17.79 17.41 1urn h ALA 32 CO -0.04 0.62 -1.01 0.82 0.00 0.00 0.00 179.25 179.64 1urn h ILE 33 N 1.29 1.42 0.00 0.00 2.04 -1.28 -3.38 117.51 117.60 1urn h ILE 33 Ca 0.36 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1urn h ILE 33 Cb -0.12 3.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1urn h ILE 33 CO -0.09 0.73 -0.24 0.49 0.00 0.00 0.00 178.15 179.05 1urn n PHE 34 N -4.03 0.48 0.30 1.37 3.72 -0.13 -3.88 117.46 115.30 1urn n PHE 34 Ca -0.16 0.14 0.18 0.00 -0.05 0.00 0.00 57.45 57.56 1urn n PHE 34 Cb 0.88 -0.67 0.82 0.00 -0.94 0.00 0.00 39.48 39.58 1urn n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1urn h SER 35 N 0.00 0.00 0.64 4.37 4.64 -1.47 -2.14 113.55 119.58 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 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1urn h SER 35 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 1urn n ARG 36 N -2.88 0.07 0.01 4.77 1.85 -1.25 -3.14 116.66 116.08 1urn n ARG 36 Ca -0.01 0.13 0.11 0.00 -1.00 0.00 0.00 57.85 57.09 1urn n ARG 36 Cb 0.19 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.04 1urn n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1urn n PHE 37 N -1.45 0.14 -2.45 2.89 3.72 -0.81 -5.08 117.46 114.43 1urn n PHE 37 Ca 0.06 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1urn n PHE 37 Cb 0.23 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 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 1.37 -1.19 3.63 1.37 0.00 -1.19 -4.42 105.19 104.76 1urn n GLY 38 Ca 0.01 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 1urn n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1urn s GLN 39 N -1.95 3.99 -0.12 1.61 2.00 -1.26 -4.58 119.66 119.33 1urn s GLN 39 Ca 0.00 1.08 -0.24 0.00 -2.00 0.00 0.00 55.36 54.20 1urn s GLN 39 Cb 0.00 -3.80 -0.02 0.00 0.80 0.00 0.00 33.01 29.99 1urn s GLN 39 CO 0.00 -1.02 0.77 0.42 -0.50 0.00 0.00 175.29 174.96 1urn s ILE 40 N 3.96 4.96 0.06 -2.34 1.01 -1.26 -0.27 121.20 127.31 1urn s ILE 40 Ca 0.49 1.54 -0.11 0.00 0.00 0.00 0.00 60.65 62.57 1urn s ILE 40 Cb -0.13 -4.09 -0.32 0.00 0.01 0.00 0.00 42.46 37.93 1urn s ILE 40 CO 0.19 0.13 1.08 -0.07 0.00 0.00 0.00 174.94 176.27 1urn h LEU 41 N 7.64 0.67 -7.27 2.97 3.38 0.01 -3.47 115.31 119.25 1urn h LEU 41 Ca -0.35 -0.70 0.25 0.00 0.09 0.00 0.00 57.88 57.18 1urn h LEU 41 Cb 1.16 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 1urn h LEU 41 CO 0.79 1.54 0.70 -0.62 0.09 0.00 0.00 178.44 180.94 1urn s ASP 42 N -7.38 -0.14 -0.10 -0.43 -1.08 -1.21 -5.02 116.67 101.32 1urn s ASP 42 Ca -0.07 -0.16 -0.01 0.00 -0.52 0.00 0.00 52.55 51.79 1urn s ASP 42 Cb 0.06 0.27 0.03 0.00 -1.46 0.00 0.00 42.92 41.81 1urn s ASP 42 CO 0.92 -0.48 -0.01 -0.63 0.52 0.00 0.00 175.17 175.50 1urn s ILE 43 N -2.72 0.53 -0.25 4.11 1.01 -1.26 -1.43 121.20 121.19 1urn s ILE 43 Ca 0.12 -0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 1urn s ILE 43 Cb 0.01 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1urn s ILE 43 CO -0.03 0.20 0.16 -0.76 0.00 0.00 0.00 174.94 174.51 1urn s LEU 44 N 1.90 4.00 -0.03 2.97 1.43 0.12 -4.96 118.68 124.12 1urn s LEU 44 Ca 0.04 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1urn s LEU 44 Cb -0.13 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1urn s LEU 44 CO -0.06 0.02 -0.06 -0.69 0.23 0.00 0.00 176.35 175.79 1urn s VAL 45 N 1.31 0.56 -0.01 -1.59 1.01 -1.26 -1.64 120.40 118.78 1urn s VAL 45 Ca 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1urn s VAL 45 Cb -0.14 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1urn s VAL 45 CO 0.06 0.20 -0.04 -0.55 0.00 0.00 0.00 175.10 174.77 1urn s SER 46 N 0.47 0.61 -0.11 3.32 0.15 -1.26 -5.04 113.70 111.84 1urn s SER 46 Ca -0.06 -0.09 0.17 0.00 0.70 0.00 0.00 55.95 56.67 1urn s SER 46 Cb -0.10 -0.14 0.66 0.00 -1.71 0.00 0.00 66.02 64.72 1urn s SER 46 CO 0.00 0.02 1.57 0.54 1.20 0.00 0.00 173.24 176.57 1urn n ARG 47 N 3.28 3.58 -0.45 5.44 1.74 -1.26 -3.31 116.66 125.68 1urn n ARG 47 Ca -0.17 -2.80 -0.28 0.00 -0.77 0.00 0.00 57.85 53.83 1urn n ARG 47 Cb 0.56 -1.83 0.27 0.00 -1.02 0.00 0.00 32.46 30.44 1urn n ARG 47 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1urn n SER 48 N 0.86 -2.12 -0.18 0.55 3.41 -1.26 -4.50 113.62 110.38 1urn n SER 48 Ca 0.24 -0.27 -0.07 0.00 -0.26 0.00 0.00 58.87 58.52 1urn n SER 48 Cb 0.85 -1.21 0.03 0.00 -0.26 0.00 0.00 64.21 63.62 1urn n SER 48 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1urn h LEU 49 N -2.82 0.61 -0.25 1.04 5.85 -1.97 -0.52 115.31 117.25 1urn h LEU 49 Ca -0.62 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 57.88 1urn h LEU 49 Cb 1.34 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1urn h LEU 49 CO 0.48 0.44 -0.87 0.50 -0.34 0.00 0.00 178.44 178.65 1urn h LYS 50 N 0.72 0.39 -0.15 1.25 3.64 -1.97 -3.34 116.57 117.12 1urn h LYS 50 Ca 0.20 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1urn h LYS 50 Cb -0.07 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1urn h LYS 50 CO -0.05 1.05 0.00 -1.33 -2.27 0.00 0.00 179.45 176.85 1urn n MET 51 N -3.77 2.36 -1.89 1.90 2.81 -1.13 -4.99 117.12 112.41 1urn n MET 51 Ca -0.06 -2.01 -0.33 0.00 -1.81 0.00 0.00 57.70 53.50 1urn n MET 51 Cb 0.79 -1.48 0.03 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 -1.84 3.01 -0.13 0.03 1.70 -0.22 -3.35 118.95 118.15 1urn s ARG 52 Ca 0.32 1.35 0.00 0.00 -0.47 0.00 0.00 55.73 56.93 1urn s ARG 52 Cb 0.21 -1.98 0.00 0.00 -0.57 0.00 0.00 34.95 32.61 1urn s ARG 52 CO 0.31 -1.08 0.00 0.41 -1.08 0.00 0.00 175.30 173.86 1urn n GLY 53 N -0.61 0.47 3.20 3.88 0.00 -1.26 -4.99 105.19 105.87 1urn n GLY 53 Ca 0.10 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.97 0.90 -0.07 1.61 -0.21 -1.21 -2.29 119.66 117.42 1urn s GLN 54 Ca 0.00 -1.21 -0.21 0.00 0.02 0.00 0.00 55.36 53.95 1urn s GLN 54 Cb 0.00 -0.60 0.05 0.00 1.00 0.00 0.00 33.01 33.46 1urn s GLN 54 CO 0.00 0.09 0.49 0.00 -2.12 0.00 0.00 175.29 173.75 1urn s ALA 55 N -2.53 -1.25 -0.25 6.09 0.00 -0.24 -4.50 121.76 119.07 1urn s ALA 55 Ca 0.07 0.93 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 1urn s ALA 55 Cb -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1urn s ALA 55 CO 0.00 -0.30 -0.05 -0.06 0.00 0.00 0.00 175.76 175.35 1urn s PHE 56 N -0.94 3.09 -0.31 0.00 0.40 -0.65 -0.57 117.98 119.00 1urn s PHE 56 Ca -0.10 -1.58 -0.09 0.00 -0.60 0.00 0.00 56.93 54.57 1urn s PHE 56 Cb -0.03 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.44 1urn s PHE 56 CO 0.06 -0.73 0.13 0.08 0.70 0.00 0.00 175.22 175.45 1urn s VAL 57 N 1.32 4.34 -0.34 -0.44 1.01 -0.50 -0.70 120.40 125.09 1urn s VAL 57 Ca -0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1urn s VAL 57 Cb -0.17 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1urn s VAL 57 CO -0.04 0.05 0.38 -0.63 0.00 0.00 0.00 175.10 174.86 1urn s ILE 58 N 1.56 5.15 0.13 2.22 1.01 -0.51 -1.10 121.20 129.66 1urn s ILE 58 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 1urn s ILE 58 Cb -0.17 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1urn s ILE 58 CO 0.05 -0.11 0.31 -0.36 0.00 0.00 0.00 174.94 174.83 1urn s PHE 59 N 2.06 3.49 0.31 3.97 0.08 0.03 0.73 117.98 128.65 1urn s PHE 59 Ca 0.12 0.34 0.11 0.00 0.12 0.00 0.00 56.93 57.62 1urn s PHE 59 Cb -0.16 -1.84 0.51 0.00 -0.57 0.00 0.00 43.02 40.96 1urn s PHE 59 CO 0.12 0.49 1.71 -0.22 -0.10 0.00 0.00 175.22 177.21 1urn h LYS 60 N 2.62 0.03 -6.36 0.44 3.64 -0.93 -3.44 116.57 112.57 1urn h LYS 60 Ca -0.46 -0.01 -0.65 0.00 -1.27 0.00 0.00 60.65 58.25 1urn h LYS 60 Cb 1.17 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.70 1urn h LYS 60 CO 0.72 0.52 -0.87 -1.21 -2.27 0.00 0.00 179.45 176.34 1urn s GLU 61 N -3.90 1.84 0.38 1.90 0.41 -1.26 -5.03 118.70 113.04 1urn s GLU 61 Ca -0.02 -0.89 0.04 0.00 -0.41 0.00 0.00 54.97 53.70 1urn s GLU 61 Cb 0.13 -1.83 0.73 0.00 -1.78 0.00 0.00 34.13 31.39 1urn s GLU 61 CO 0.75 0.49 2.03 0.28 -0.49 0.00 0.00 175.26 178.32 1urn h VAL 62 N 4.49 1.14 -0.85 2.63 2.07 -1.86 -2.15 116.25 121.72 1urn h VAL 62 Ca -0.42 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 66.90 1urn h VAL 62 Cb 1.13 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1urn h VAL 62 CO 0.47 0.14 0.55 0.77 0.02 0.00 0.00 177.57 179.52 1urn h SER 63 N 0.71 0.80 -0.46 0.57 4.64 -1.96 -0.64 113.55 117.22 1urn h SER 63 Ca 0.19 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 1urn h SER 63 Cb -0.06 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1urn h SER 63 CO -0.04 0.50 -0.03 0.28 -0.87 0.00 0.00 176.83 176.67 1urn h SER 64 N 0.90 0.83 -0.63 4.97 0.02 -1.60 -2.38 113.55 115.66 1urn h SER 64 Ca 0.37 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1urn h SER 64 Cb 0.28 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1urn h SER 64 CO -0.14 0.96 0.29 0.00 -1.14 0.00 0.00 176.83 176.80 1urn h ALA 65 N 0.90 0.82 -0.35 3.77 0.00 -1.34 0.06 119.26 123.13 1urn h ALA 65 Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1urn h ALA 65 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1urn h ALA 65 CO 0.03 0.40 0.06 1.15 0.00 0.00 0.00 179.25 180.89 1urn h THR 66 N 0.88 1.23 -0.54 0.00 2.02 -1.07 0.01 112.91 115.44 1urn h THR 66 Ca 0.22 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.46 1urn h THR 66 Cb 0.14 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1urn h THR 66 CO -0.02 0.28 -0.09 -1.13 0.37 0.00 0.00 175.52 174.92 1urn h ASN 67 N 0.41 1.01 -0.30 4.18 -1.24 -1.29 -1.81 115.58 116.54 1urn h ASN 67 Ca 0.11 -0.33 -0.00 0.00 0.71 0.00 0.00 56.30 56.79 1urn h ASN 67 Cb 0.35 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1urn h ASN 67 CO 0.01 1.12 0.19 0.00 -1.29 0.00 0.00 177.43 177.45 1urn h ALA 68 N 0.97 0.39 0.63 1.57 0.00 -0.82 -0.41 119.26 121.59 1urn h ALA 68 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1urn h ALA 68 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1urn h ALA 68 CO 0.05 -0.12 -0.34 1.25 0.00 0.00 0.00 179.25 180.08 1urn h LEU 69 N 0.39 -0.84 -1.01 0.00 6.46 -0.86 -0.76 115.31 118.70 1urn h LEU 69 Ca 0.11 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1urn h LEU 69 Cb -0.00 0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.11 1urn h LEU 69 CO -0.02 -0.56 0.67 -0.09 -0.62 0.00 0.00 178.44 177.82 1urn h ARG 70 N -0.90 1.30 0.01 1.25 2.43 -1.26 -1.70 114.38 115.51 1urn h ARG 70 Ca -0.08 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 58.86 1urn h ARG 70 Cb 0.71 -0.29 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1urn h ARG 70 CO 0.11 0.86 -0.60 0.77 -1.51 0.00 0.00 179.97 179.60 1urn h SER 71 N 1.33 0.50 0.30 -3.80 0.02 -1.00 -3.34 113.55 107.57 1urn h SER 71 Ca 0.38 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1urn h SER 71 Cb -0.10 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1urn h SER 71 CO -0.10 1.22 -0.28 0.23 -1.14 0.00 0.00 176.83 176.76 1urn n MET 72 N -4.23 0.67 -1.63 3.45 2.81 -0.30 -4.88 117.12 113.00 1urn n MET 72 Ca -0.11 -0.38 -0.49 0.00 -1.81 0.00 0.00 57.70 54.92 1urn n MET 72 Cb 0.68 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.64 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 -0.84 1.68 -0.91 0.03 -0.06 -0.64 -1.61 117.38 115.04 1urn n GLN 73 Ca 0.11 0.61 0.00 0.00 -2.00 0.00 0.00 57.00 55.72 1urn n GLN 73 Cb 0.34 -2.32 0.00 0.00 -4.06 0.00 0.00 30.24 24.20 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 3.02 0.48 3.67 1.69 0.00 -0.04 -4.96 105.19 109.06 1urn n GLY 74 Ca 0.18 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 -2.29 1.81 -0.14 1.61 2.19 -0.64 -4.18 117.98 116.34 1urn s PHE 75 Ca 0.00 -0.12 -0.29 0.00 0.33 0.00 0.00 56.93 56.85 1urn s PHE 75 Cb 0.00 -4.14 -0.06 0.00 -1.31 0.00 0.00 43.02 37.51 1urn s PHE 75 CO 0.00 -4.87 2.10 -2.14 1.83 0.00 0.00 175.22 172.14 1urn s PRO 76 N 3.59 3.48 -0.11 10.12 0.02 -1.26 -1.41 135.00 149.43 1urn s PRO 76 Ca 0.82 2.18 -0.01 0.00 0.02 0.00 0.00 61.00 64.00 1urn s PRO 76 Cb -0.42 -4.29 0.03 0.00 0.02 0.00 0.00 34.50 29.84 1urn s PRO 76 CO 0.37 -1.71 -0.00 0.12 -0.33 0.00 0.00 177.00 175.44 1urn s PHE 77 N 6.95 0.90 -1.34 6.54 5.36 0.53 -4.80 117.98 132.11 1urn s PHE 77 Ca 0.95 -0.43 -0.05 0.00 -0.96 0.00 0.00 56.93 56.45 1urn s PHE 77 Cb -0.35 -0.93 -0.00 0.00 -0.34 0.00 0.00 43.02 41.40 1urn s PHE 77 CO 0.37 -0.42 0.52 0.66 -1.46 0.00 0.00 175.22 174.88 1urn n TYR 78 N 5.09 -1.71 -1.94 10.12 4.01 -1.26 -1.63 117.16 129.83 1urn n TYR 78 Ca -0.08 0.68 -0.17 0.00 -0.16 0.00 0.00 57.90 58.17 1urn n TYR 78 Cb 0.49 -3.73 -0.04 0.00 -0.31 0.00 0.00 39.34 35.75 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 -2.92 -4.82 -3.83 7.72 8.00 -1.26 -4.61 116.55 114.82 1urn n ASP 79 Ca -0.27 0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 1urn n ASP 79 Cb 0.67 -4.19 -0.15 0.00 -0.02 0.00 0.00 41.12 37.42 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 -4.22 0.04 0.03 -1.24 1.02 -0.65 -5.08 119.74 109.63 1urn s LYS 80 Ca 0.00 0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 1urn s LYS 80 Cb 0.00 -0.17 -0.06 0.00 -0.52 0.00 0.00 37.83 37.08 1urn s LYS 80 CO 0.00 -0.07 1.49 -1.25 -0.92 0.00 0.00 175.35 174.60 1urn s PRO 81 N 0.51 4.25 0.30 -1.68 0.04 -1.26 -0.35 135.00 136.82 1urn s PRO 81 Ca -0.04 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1urn s PRO 81 Cb -0.07 -3.58 -0.11 0.00 0.04 0.00 0.00 34.50 30.79 1urn s PRO 81 CO -0.01 -0.63 1.47 -1.64 0.04 0.00 0.00 177.00 176.22 1urn s MET 82 N 2.49 4.21 -0.21 4.56 -1.94 -0.50 -4.83 119.30 123.08 1urn s MET 82 Ca 0.67 2.41 -0.03 0.00 -1.71 0.00 0.00 55.69 57.04 1urn s MET 82 Cb -0.34 -3.05 -0.01 0.00 2.01 0.00 0.00 34.83 33.44 1urn s MET 82 CO 0.29 -0.46 -0.06 1.03 -0.01 0.00 0.00 175.02 175.81 1urn s ARG 83 N -1.02 3.38 -0.05 2.03 0.52 -0.90 -0.86 118.95 122.05 1urn s ARG 83 Ca 0.57 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 55.20 1urn s ARG 83 Cb -0.44 -2.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 1urn s ARG 83 CO 0.50 -0.13 -0.22 0.42 0.02 0.00 0.00 175.30 175.90 1urn s ILE 84 N 1.28 1.78 0.34 1.52 1.01 -1.26 -0.93 121.20 124.94 1urn s ILE 84 Ca 0.03 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1urn s ILE 84 Cb -0.14 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1urn s ILE 84 CO -0.02 0.50 0.16 -1.10 0.00 0.00 0.00 174.94 174.47 1urn s GLN 85 N -0.11 1.70 0.27 2.79 -0.21 0.19 -4.98 119.66 119.30 1urn s GLN 85 Ca -0.03 -1.99 -0.09 0.00 0.02 0.00 0.00 55.36 53.27 1urn s GLN 85 Cb -0.12 -0.24 -0.07 0.00 1.00 0.00 0.00 33.01 33.57 1urn s GLN 85 CO 0.03 -0.46 0.59 0.71 -2.12 0.00 0.00 175.29 174.04 1urn s TYR 86 N -3.47 3.43 0.50 0.91 2.02 -0.73 0.38 117.35 120.39 1urn s TYR 86 Ca 0.33 0.88 -0.23 0.00 -0.37 0.00 0.00 57.07 57.68 1urn s TYR 86 Cb 0.04 -2.27 -0.06 0.00 -0.40 0.00 0.00 41.96 39.27 1urn s TYR 86 CO 0.18 0.19 1.30 0.00 -1.57 0.00 0.00 175.55 175.65 1urn s ALA 87 N -1.94 2.94 0.28 3.71 0.00 0.10 -4.53 121.76 122.31 1urn s ALA 87 Ca 0.48 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.69 1urn s ALA 87 Cb -0.11 -3.50 0.42 0.00 0.00 0.00 0.00 23.12 19.92 1urn s ALA 87 CO 0.24 -1.09 1.70 0.87 0.00 0.00 0.00 175.76 177.48 1urn h LYS 88 N 1.81 0.38 -5.16 0.00 6.56 -1.94 -3.45 116.57 114.77 1urn h LYS 88 Ca -0.50 -0.16 -0.37 0.00 -1.06 0.00 0.00 60.65 58.55 1urn h LYS 88 Cb 1.28 -0.01 -0.14 0.00 -0.57 0.00 0.00 32.23 32.78 1urn h LYS 88 CO 0.59 0.67 -0.69 0.95 -2.06 0.00 0.00 179.45 178.91 1urn s THR 89 N -4.33 1.22 0.49 -0.16 -4.23 -1.26 -5.13 115.64 102.25 1urn s THR 89 Ca -0.06 -2.07 -0.23 0.00 -1.18 0.00 0.00 61.69 58.15 1urn s THR 89 Cb 0.13 -2.08 -0.06 0.00 1.34 0.00 0.00 72.50 71.83 1urn s THR 89 CO 0.78 -0.55 1.28 -1.81 -0.54 0.00 0.00 174.62 173.78 1urn s ASP 90 N -3.25 5.76 0.50 3.99 1.01 -1.26 -4.94 116.67 118.48 1urn s ASP 90 Ca 0.22 2.57 -0.20 0.00 0.71 0.00 0.00 52.55 55.85 1urn s ASP 90 Cb 0.03 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 1urn s ASP 90 CO 0.05 -1.22 1.06 -0.44 0.21 0.00 0.00 175.17 174.83 1urn s SER 91 N -1.09 6.18 0.32 0.27 0.01 -1.26 -4.80 113.70 113.34 1urn s SER 91 Ca 0.67 1.98 0.05 0.00 1.31 0.00 0.00 55.95 59.96 1urn s SER 91 Cb -0.35 -2.56 0.70 0.00 0.21 0.00 0.00 66.02 64.01 1urn s SER 91 CO 0.43 -0.90 1.85 0.44 0.41 0.00 0.00 173.24 175.47 1urn h ASP 92 N 1.44 0.79 -0.97 2.44 3.32 -1.97 0.13 116.42 121.60 1urn h ASP 92 Ca -0.50 0.05 0.06 0.00 0.02 0.00 0.00 57.03 56.66 1urn h ASP 92 Cb 1.23 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.61 1urn h ASP 92 CO 0.58 0.40 0.63 -0.29 -1.72 0.00 0.00 179.24 178.84 1urn h ILE 93 N 0.83 1.09 0.05 0.35 2.10 -2.01 -1.03 117.51 118.89 1urn h ILE 93 Ca 0.48 -0.39 -0.24 0.00 1.08 0.00 0.00 64.86 65.78 1urn h ILE 93 Cb 0.62 -0.14 0.02 0.00 -1.09 0.00 0.00 36.82 36.23 1urn h ILE 93 CO -0.24 0.21 -0.98 0.40 -1.08 0.00 0.00 178.15 176.45 1urn h ILE 94 N 1.13 1.33 0.00 2.19 1.08 -1.50 -3.22 117.51 118.52 1urn h ILE 94 Ca 0.41 -2.29 -0.01 0.00 -0.39 0.00 0.00 64.86 62.59 1urn h ILE 94 Cb 0.16 2.58 -0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1urn h ILE 94 CO -0.16 0.69 -0.03 0.00 -0.69 0.00 0.00 178.15 177.97 1urn h ALA 95 N 0.32 1.06 0.08 1.87 0.00 -0.15 -2.60 119.26 119.84 1urn h ALA 95 Ca -0.14 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.44 1urn h ALA 95 Cb 1.67 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1urn h ALA 95 CO 0.19 0.03 -1.64 1.57 0.00 0.00 0.00 179.25 179.41 1urn h LYS 96 N 0.00 0.18 0.00 0.00 5.09 -1.27 -3.50 116.57 117.06 1urn h LYS 96 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 60.65 60.44 1urn h LYS 96 Cb 0.28 0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.72 1urn h LYS 96 CO 0.00 0.97 0.00 -1.33 -2.09 0.00 0.00 179.45 177.01