#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 -0.09 0.46 0.00 -7.23 -1.26 -5.02 120.40 107.26 1urn s VAL 3 Ca 0.00 -0.52 0.23 0.00 -1.81 0.00 0.00 61.98 59.88 1urn s VAL 3 Cb 0.00 -0.82 0.26 0.00 0.56 0.00 0.00 36.38 36.38 1urn s VAL 3 CO 0.00 -0.54 2.08 1.55 -0.31 0.00 0.00 175.10 177.87 1urn h PRO 4 N 8.41 0.00 0.00 4.82 0.13 -1.96 -2.60 132.00 140.80 1urn h PRO 4 Ca -0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1urn h PRO 4 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1urn h PRO 4 CO 0.38 0.12 -0.12 0.93 -0.23 0.00 0.00 178.00 179.08 1urn h GLU 5 N 0.00 0.00 -0.01 0.86 3.07 -1.85 -2.03 114.58 114.62 1urn h GLU 5 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1urn h GLU 5 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1urn h GLU 5 CO 0.02 0.12 -0.41 0.25 -1.40 0.00 0.00 179.01 177.58 1urn n THR 6 N -3.56 0.00 -3.15 1.13 -2.24 -0.98 -1.03 114.28 104.45 1urn n THR 6 Ca -0.02 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 1urn n THR 6 Cb 0.25 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.61 4.27 0.12 -0.78 0.52 -0.76 -4.95 118.95 114.74 1urn s ARG 7 Ca 0.19 0.61 -0.35 0.00 -0.52 0.00 0.00 55.73 55.67 1urn s ARG 7 Cb 0.18 -3.53 -0.17 0.00 0.52 0.00 0.00 34.95 31.96 1urn s ARG 7 CO 0.59 -0.12 1.22 -2.30 0.02 0.00 0.00 175.30 174.71 1urn n PRO 8 N 4.59 1.01 -4.06 3.54 -0.02 -1.26 -4.77 135.00 134.03 1urn n PRO 8 Ca -0.03 0.36 -0.07 0.00 -2.02 0.00 0.00 63.50 61.74 1urn n PRO 8 Cb 0.50 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.19 0.42 0.45 2.55 3.84 -1.26 -5.03 114.94 116.10 1urn s ASN 9 Ca 0.80 -0.96 0.18 0.00 0.21 0.00 0.00 52.86 53.10 1urn s ASN 9 Cb -0.94 0.23 1.07 0.00 -0.55 0.00 0.00 41.25 41.06 1urn s ASN 9 CO 0.50 -0.63 1.97 0.45 -2.79 0.00 0.00 177.10 176.60 1urn h HIS 10 N 3.06 0.00 -3.29 0.43 3.86 -1.90 -3.43 115.15 113.89 1urn h HIS 10 Ca -0.34 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.24 1urn h HIS 10 Cb 1.15 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.44 1urn h HIS 10 CO 0.51 0.21 -0.61 0.99 0.86 0.00 0.00 177.93 179.89 1urn s THR 11 N -4.36 4.40 -0.06 2.45 2.01 -1.26 -0.32 115.64 118.50 1urn s THR 11 Ca -0.03 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1urn s THR 11 Cb 0.14 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1urn s THR 11 CO 0.67 0.48 0.11 0.27 -0.69 0.00 0.00 174.62 175.46 1urn s ILE 12 N 0.28 5.08 -0.25 1.82 -4.36 -0.76 0.11 121.20 123.12 1urn s ILE 12 Ca 0.01 -0.11 -0.07 0.00 -0.26 0.00 0.00 60.65 60.22 1urn s ILE 12 Cb -0.13 -3.27 -0.02 0.00 1.25 0.00 0.00 42.46 40.29 1urn s ILE 12 CO 0.01 0.48 0.05 -0.47 0.24 0.00 0.00 174.94 175.26 1urn s TYR 13 N -1.11 3.06 -0.10 1.37 5.04 0.10 -1.32 117.35 124.40 1urn s TYR 13 Ca 0.19 -0.52 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 1urn s TYR 13 Cb -0.12 -2.22 -0.02 0.00 0.35 0.00 0.00 41.96 39.95 1urn s TYR 13 CO 0.09 -0.40 -0.12 0.42 -1.34 0.00 0.00 175.55 174.21 1urn s ILE 14 N 1.59 3.19 0.21 3.14 1.01 0.74 -1.06 121.20 130.02 1urn s ILE 14 Ca 0.06 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1urn s ILE 14 Cb -0.15 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 1urn s ILE 14 CO 0.02 0.55 0.11 -0.46 0.00 0.00 0.00 174.94 175.17 1urn n ASN 15 N 2.99 0.52 -1.37 3.58 6.94 0.21 -0.63 115.26 127.50 1urn n ASN 15 Ca -0.18 -2.22 -0.12 0.00 -0.02 0.00 0.00 54.58 52.05 1urn n ASN 15 Cb 0.53 0.71 -0.00 0.00 -2.36 0.00 0.00 39.78 38.65 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 -1.96 -3.82 -4.85 0.53 5.15 -1.09 -1.83 115.26 107.38 1urn n ASN 16 Ca -0.00 -0.02 -0.35 0.00 -0.60 0.00 0.00 54.58 53.61 1urn n ASN 16 Cb 0.34 -3.03 -0.06 0.00 -0.53 0.00 0.00 39.78 36.50 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 -3.45 4.33 -0.19 1.20 1.43 -0.86 -4.61 118.68 116.52 1urn s LEU 17 Ca 0.01 1.06 -0.28 0.00 -1.03 0.00 0.00 54.13 53.88 1urn s LEU 17 Cb -0.00 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 1urn s LEU 17 CO 0.01 0.09 2.06 0.21 0.23 0.00 0.00 176.35 178.95 1urn s ASN 18 N -1.76 5.76 0.00 2.29 3.84 -1.26 -4.57 114.94 119.24 1urn s ASN 18 Ca 0.38 1.91 0.17 0.00 0.21 0.00 0.00 52.86 55.53 1urn s ASN 18 Cb -0.15 -2.52 0.84 0.00 -0.55 0.00 0.00 41.25 38.87 1urn s ASN 18 CO 0.19 -1.71 1.51 -0.62 -2.79 0.00 0.00 177.10 173.68 1urn n GLU 19 N 8.41 0.21 0.15 0.43 1.02 -1.26 -2.80 120.64 126.80 1urn n GLU 19 Ca 0.26 0.14 0.04 0.00 -0.02 0.00 0.00 57.16 57.58 1urn n GLU 19 Cb 0.45 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.44 1urn n GLU 19 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1urn h LYS 20 N 0.00 0.00 -6.38 3.49 6.56 -2.00 -3.45 116.57 114.79 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 0.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1urn h LYS 20 CO 0.00 0.45 0.91 0.42 -2.06 0.00 0.00 179.45 179.17 1urn s ILE 21 N -3.04 3.49 0.73 1.86 -1.09 -1.12 -5.00 121.20 117.03 1urn s ILE 21 Ca 0.04 0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 59.22 1urn s ILE 21 Cb 0.08 -3.56 0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1urn s ILE 21 CO 0.73 -0.01 1.08 -0.54 -1.23 0.00 0.00 174.94 174.97 1urn s LYS 22 N 2.66 2.61 0.17 2.79 1.02 -1.26 -4.76 119.74 122.97 1urn s LYS 22 Ca 0.68 1.09 -0.18 0.00 0.02 0.00 0.00 55.97 57.58 1urn s LYS 22 Cb -0.34 -1.94 0.10 0.00 -0.52 0.00 0.00 37.83 35.13 1urn s LYS 22 CO 0.28 -1.36 1.65 0.87 -0.92 0.00 0.00 175.35 175.87 1urn h LYS 23 N -0.84 -0.06 -0.34 1.68 1.57 -1.96 -1.18 116.57 115.44 1urn h LYS 23 Ca -0.44 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1urn h LYS 23 Cb 1.22 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1urn h LYS 23 CO 0.54 -0.04 0.20 -0.44 -0.57 0.00 0.00 179.45 179.14 1urn h ASP 24 N -0.06 0.32 -0.46 0.86 3.32 -1.99 0.84 116.42 119.25 1urn h ASP 24 Ca 0.20 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1urn h ASP 24 Cb 0.36 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1urn h ASP 24 CO -0.45 0.23 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.21 1urn h GLU 25 N 0.40 0.82 -0.05 3.56 4.81 -1.92 -0.88 114.58 121.32 1urn h GLU 25 Ca 0.13 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1urn h GLU 25 Cb 0.00 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1urn h GLU 25 CO -0.06 0.88 0.02 1.25 -0.73 0.00 0.00 179.01 180.37 1urn h LEU 26 N 0.66 0.06 -0.97 1.64 5.85 -0.98 -0.40 115.31 121.17 1urn h LEU 26 Ca 0.13 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1urn h LEU 26 Cb 0.52 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1urn h LEU 26 CO 0.03 0.14 0.51 0.11 -0.34 0.00 0.00 178.44 178.88 1urn h LYS 27 N -0.03 1.23 -0.51 1.25 1.57 -0.76 -0.59 116.57 118.73 1urn h LYS 27 Ca 0.02 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1urn h LYS 27 Cb 0.09 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1urn h LYS 27 CO -0.00 0.88 0.21 -0.22 -0.57 0.00 0.00 179.45 179.75 1urn h LYS 28 N 1.24 0.76 -0.46 3.15 3.64 -0.89 -0.02 116.57 123.99 1urn h LYS 28 Ca 0.32 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 1urn h LYS 28 Cb -0.00 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1urn h LYS 28 CO -0.05 0.66 -0.24 0.77 -2.27 0.00 0.00 179.45 178.32 1urn h SER 29 N 0.68 1.00 -0.57 4.20 0.02 -0.78 -1.52 113.55 116.59 1urn h SER 29 Ca 0.17 -0.39 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1urn h SER 29 Cb 0.18 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1urn h SER 29 CO -0.02 1.18 0.06 -0.07 -1.14 0.00 0.00 176.83 176.84 1urn h LEU 30 N 0.83 0.93 -0.35 5.07 3.38 -0.99 -2.50 115.31 121.68 1urn h LEU 30 Ca 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1urn h LEU 30 Cb 0.81 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1urn h LEU 30 CO 0.07 0.98 0.10 -0.74 0.09 0.00 0.00 178.44 178.94 1urn h HIS 31 N 0.86 0.57 -0.51 1.13 2.76 -0.84 -0.44 115.15 118.67 1urn h HIS 31 Ca 0.17 -0.06 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 1urn h HIS 31 Cb 0.47 -0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 1urn h HIS 31 CO 0.03 0.57 0.09 0.00 -1.30 0.00 0.00 177.93 177.32 1urn h ALA 32 N 0.94 0.56 -0.07 5.26 0.00 -1.18 -0.71 119.26 124.07 1urn h ALA 32 Ca 0.11 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 1urn h ALA 32 Cb 0.28 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1urn h ALA 32 CO -0.00 -0.32 -0.76 0.82 0.00 0.00 0.00 179.25 178.99 1urn h ILE 33 N 0.22 1.32 0.00 0.00 2.04 -1.38 -3.37 117.51 116.34 1urn h ILE 33 Ca 0.26 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1urn h ILE 33 Cb 0.36 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1urn h ILE 33 CO -0.35 0.62 -0.74 -0.26 0.00 0.00 0.00 178.15 177.42 1urn h PHE 34 N 0.29 0.00 0.00 1.37 0.04 -0.97 -3.36 116.94 114.32 1urn h PHE 34 Ca -0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1urn h PHE 34 Cb 1.41 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.56 1urn h PHE 34 CO 0.11 0.00 -0.10 0.66 -0.60 0.00 0.00 178.31 178.38 1urn h SER 35 N 0.00 0.00 0.55 2.17 4.64 -1.29 -1.82 113.55 117.80 1urn h SER 35 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1urn h SER 35 Cb 0.83 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1urn h SER 35 CO 0.00 0.10 -0.07 0.08 -0.87 0.00 0.00 176.83 176.07 1urn h ARG 36 N 0.00 0.00 0.00 4.77 0.11 -1.78 -2.46 114.38 115.02 1urn h ARG 36 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1urn h ARG 36 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1urn h ARG 36 CO 0.01 0.07 -0.08 0.74 0.10 0.00 0.00 179.97 180.81 1urn h PHE 37 N 0.00 0.00 0.00 4.08 0.04 -1.60 -3.49 116.94 115.96 1urn h PHE 37 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1urn h PHE 37 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1urn h PHE 37 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1urn n GLY 38 N 1.23 0.89 3.70 -1.45 0.00 -0.93 -4.45 105.19 104.19 1urn n GLY 38 Ca 0.05 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.81 4.20 -0.21 1.61 0.74 -1.26 -4.49 119.66 118.44 1urn s GLN 39 Ca 0.00 2.36 -0.13 0.00 0.05 0.00 0.00 55.36 57.64 1urn s GLN 39 Cb 0.00 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.62 1urn s GLN 39 CO 0.00 -0.70 0.25 0.42 -0.55 0.00 0.00 175.29 174.71 1urn s ILE 40 N 2.14 5.31 -0.07 -2.34 1.01 -1.26 -0.86 121.20 125.13 1urn s ILE 40 Ca 0.73 0.42 -0.26 0.00 0.00 0.00 0.00 60.65 61.54 1urn s ILE 40 Cb -0.42 -3.59 -0.24 0.00 0.01 0.00 0.00 42.46 38.22 1urn s ILE 40 CO 0.32 0.34 1.00 -0.07 0.00 0.00 0.00 174.94 176.53 1urn h LEU 41 N 7.27 0.12 -7.49 2.97 3.38 0.80 -3.46 115.31 118.90 1urn h LEU 41 Ca -0.38 -0.79 0.08 0.00 0.09 0.00 0.00 57.88 56.87 1urn h LEU 41 Cb 1.16 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 1urn h LEU 41 CO 0.71 0.90 0.33 -0.62 0.09 0.00 0.00 178.44 179.84 1urn s ASP 42 N -6.18 -0.34 -0.16 -0.43 -1.08 -1.11 -5.01 116.67 102.36 1urn s ASP 42 Ca -0.17 -0.30 -0.01 0.00 -0.52 0.00 0.00 52.55 51.55 1urn s ASP 42 Cb -0.00 0.58 0.05 0.00 -1.46 0.00 0.00 42.92 42.09 1urn s ASP 42 CO 0.72 -1.03 -0.01 -0.63 0.52 0.00 0.00 175.17 174.74 1urn s ILE 43 N -3.60 0.79 -0.27 4.11 1.01 -1.26 -0.85 121.20 121.13 1urn s ILE 43 Ca 0.08 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1urn s ILE 43 Cb -0.03 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 1urn s ILE 43 CO -0.02 0.04 0.18 -0.76 0.00 0.00 0.00 174.94 174.38 1urn s LEU 44 N 1.77 4.04 -0.03 2.97 1.43 -0.45 -4.96 118.68 123.44 1urn s LEU 44 Ca 0.01 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1urn s LEU 44 Cb -0.15 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1urn s LEU 44 CO -0.07 -0.03 -0.08 -0.69 0.23 0.00 0.00 176.35 175.71 1urn s VAL 45 N 1.61 0.75 0.01 -1.59 1.01 -1.26 -1.41 120.40 119.51 1urn s VAL 45 Ca 0.07 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1urn s VAL 45 Cb -0.15 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1urn s VAL 45 CO 0.10 0.25 -0.05 -0.55 0.00 0.00 0.00 175.10 174.84 1urn s SER 46 N 0.42 0.61 -0.10 3.32 0.15 -1.26 -5.04 113.70 111.79 1urn s SER 46 Ca -0.07 -0.19 0.15 0.00 0.70 0.00 0.00 55.95 56.54 1urn s SER 46 Cb -0.11 -0.04 0.51 0.00 -1.71 0.00 0.00 66.02 64.67 1urn s SER 46 CO 0.01 -0.01 1.42 0.54 1.20 0.00 0.00 173.24 176.40 1urn n ARG 47 N 2.61 3.16 -0.48 5.44 1.74 -1.26 -3.20 116.66 124.67 1urn n ARG 47 Ca -0.15 -2.59 -0.28 0.00 -0.77 0.00 0.00 57.85 54.05 1urn n ARG 47 Cb 0.57 -1.67 0.27 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.35 0.52 0.20 0.55 1.04 -1.26 -4.48 113.70 108.92 1urn s SER 48 Ca 0.38 1.43 -0.12 0.00 0.48 0.00 0.00 55.95 58.12 1urn s SER 48 Cb 0.27 -2.21 0.12 0.00 0.10 0.00 0.00 66.02 64.30 1urn s SER 48 CO 0.15 -4.47 1.86 0.25 0.98 0.00 0.00 173.24 172.01 1urn h LEU 49 N -2.81 0.76 -0.11 2.42 5.85 -1.97 0.05 115.31 119.50 1urn h LEU 49 Ca -0.62 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 57.87 1urn h LEU 49 Cb 1.34 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.19 1urn h LEU 49 CO 0.48 0.55 -0.76 0.11 -0.34 0.00 0.00 178.44 178.49 1urn h LYS 50 N 0.90 0.71 -0.02 1.25 1.79 -1.97 -3.36 116.57 115.86 1urn h LYS 50 Ca 0.24 -0.62 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1urn h LYS 50 Cb -0.10 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1urn h LYS 50 CO -0.05 1.22 -0.09 -1.33 -1.08 0.00 0.00 179.45 178.12 1urn n MET 51 N -4.00 1.79 -1.77 3.15 2.81 -1.17 -4.98 117.12 112.96 1urn n MET 51 Ca -0.08 -1.32 -0.32 0.00 -1.81 0.00 0.00 57.70 54.16 1urn n MET 51 Cb 0.74 -1.47 0.04 0.00 -0.71 0.00 0.00 33.22 31.82 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 -2.12 2.90 0.00 0.03 1.70 -0.01 -3.49 118.95 117.96 1urn s ARG 52 Ca 0.30 1.27 0.00 0.00 -0.47 0.00 0.00 55.73 56.83 1urn s ARG 52 Cb 0.20 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.61 1urn s ARG 52 CO 0.37 -1.15 0.00 0.41 -1.08 0.00 0.00 175.30 173.85 1urn n GLY 53 N -0.87 0.52 3.23 3.88 0.00 -1.26 -5.00 105.19 105.69 1urn n GLY 53 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.20 1.00 0.00 1.61 -0.21 -1.23 -2.03 119.66 118.61 1urn s GLN 54 Ca 0.00 -1.32 -0.19 0.00 0.02 0.00 0.00 55.36 53.87 1urn s GLN 54 Cb 0.00 -0.70 0.04 0.00 1.00 0.00 0.00 33.01 33.35 1urn s GLN 54 CO 0.00 0.11 0.42 0.00 -2.12 0.00 0.00 175.29 173.70 1urn s ALA 55 N -2.75 -1.07 -0.26 6.09 0.00 0.20 -4.47 121.76 119.50 1urn s ALA 55 Ca 0.12 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 1urn s ALA 55 Cb -0.01 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1urn s ALA 55 CO 0.01 -0.36 -0.06 -0.06 0.00 0.00 0.00 175.76 175.30 1urn s PHE 56 N -1.74 3.14 -0.36 0.00 0.40 -0.50 -0.19 117.98 118.73 1urn s PHE 56 Ca -0.10 -1.77 -0.12 0.00 -0.60 0.00 0.00 56.93 54.34 1urn s PHE 56 Cb -0.02 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.47 1urn s PHE 56 CO 0.03 -0.78 0.22 0.08 0.70 0.00 0.00 175.22 175.47 1urn s VAL 57 N 1.27 4.85 -0.36 -0.44 1.01 -0.43 -1.34 120.40 124.95 1urn s VAL 57 Ca -0.03 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1urn s VAL 57 Cb -0.18 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1urn s VAL 57 CO -0.04 -0.14 0.39 -0.63 0.00 0.00 0.00 175.10 174.68 1urn s ILE 58 N 1.62 5.14 0.12 2.22 1.01 -0.03 -1.83 121.20 129.45 1urn s ILE 58 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 1urn s ILE 58 Cb -0.18 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 1urn s ILE 58 CO 0.08 -0.19 0.37 -0.36 0.00 0.00 0.00 174.94 174.84 1urn s PHE 59 N 2.06 3.51 0.33 3.97 0.08 0.57 0.13 117.98 128.63 1urn s PHE 59 Ca 0.12 0.60 0.04 0.00 0.12 0.00 0.00 56.93 57.82 1urn s PHE 59 Cb -0.17 -2.03 0.59 0.00 -0.57 0.00 0.00 43.02 40.84 1urn s PHE 59 CO 0.12 0.47 1.87 -0.22 -0.10 0.00 0.00 175.22 177.36 1urn h LYS 60 N 3.13 0.53 -6.15 0.44 3.64 -1.30 -3.43 116.57 113.43 1urn h LYS 60 Ca -0.47 -0.12 -0.68 0.00 -1.27 0.00 0.00 60.65 58.12 1urn h LYS 60 Cb 1.17 -0.08 -0.31 0.00 -0.41 0.00 0.00 32.23 32.61 1urn h LYS 60 CO 0.71 0.56 -0.88 -1.21 -2.27 0.00 0.00 179.45 176.36 1urn s GLU 61 N -4.95 2.30 0.34 1.90 0.41 -1.26 -5.03 118.70 112.40 1urn s GLU 61 Ca -0.08 -0.88 0.02 0.00 -0.41 0.00 0.00 54.97 53.62 1urn s GLU 61 Cb 0.15 -2.04 0.59 0.00 -1.78 0.00 0.00 34.13 31.05 1urn s GLU 61 CO 0.77 0.43 1.98 0.28 -0.49 0.00 0.00 175.26 178.23 1urn h VAL 62 N 4.87 1.18 -0.98 2.63 2.07 -1.85 -1.47 116.25 122.69 1urn h VAL 62 Ca -0.36 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1urn h VAL 62 Cb 1.16 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1urn h VAL 62 CO 0.47 0.18 0.63 0.77 0.02 0.00 0.00 177.57 179.65 1urn h SER 63 N 0.85 0.99 -0.38 0.57 4.64 -1.96 0.17 113.55 118.42 1urn h SER 63 Ca 0.22 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.53 1urn h SER 63 Cb -0.03 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1urn h SER 63 CO -0.04 0.61 0.11 0.28 -0.87 0.00 0.00 176.83 176.93 1urn h SER 64 N 1.11 0.57 -0.32 4.97 0.02 -1.49 -2.26 113.55 116.15 1urn h SER 64 Ca 0.43 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1urn h SER 64 Cb 0.23 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1urn h SER 64 CO -0.18 0.63 0.14 0.00 -1.14 0.00 0.00 176.83 176.28 1urn h ALA 65 N 0.96 0.38 -0.36 3.77 0.00 -0.98 0.67 119.26 123.70 1urn h ALA 65 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1urn h ALA 65 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1urn h ALA 65 CO -0.00 -0.25 0.17 1.15 0.00 0.00 0.00 179.25 180.32 1urn h THR 66 N 0.30 1.17 -0.54 0.00 2.02 -0.94 -0.21 112.91 114.71 1urn h THR 66 Ca 0.14 -0.49 -0.10 0.00 0.77 0.00 0.00 66.41 66.73 1urn h THR 66 Cb 0.07 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1urn h THR 66 CO -0.11 0.18 -0.04 0.78 0.37 0.00 0.00 175.52 176.70 1urn h ASN 67 N 0.44 0.97 -0.09 4.18 2.35 -1.21 -1.79 115.58 120.43 1urn h ASN 67 Ca 0.12 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1urn h ASN 67 Cb 0.13 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1urn h ASN 67 CO -0.01 1.06 0.05 0.00 -1.65 0.00 0.00 177.43 176.88 1urn h ALA 68 N 0.94 0.11 0.15 -0.83 0.00 -0.66 -1.49 119.26 117.48 1urn h ALA 68 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1urn h ALA 68 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1urn h ALA 68 CO 0.04 -0.37 -0.13 1.25 0.00 0.00 0.00 179.25 180.04 1urn h LEU 69 N 0.08 -0.33 -1.15 0.00 6.46 -0.91 -0.89 115.31 118.57 1urn h LEU 69 Ca 0.03 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1urn h LEU 69 Cb 0.03 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 1urn h LEU 69 CO -0.01 -0.20 0.41 0.03 -0.62 0.00 0.00 178.44 178.06 1urn h ARG 70 N -0.29 1.00 0.14 1.25 3.08 -1.31 -1.63 114.38 116.62 1urn h ARG 70 Ca -0.00 -0.10 -0.27 0.00 0.07 0.00 0.00 59.98 59.68 1urn h ARG 70 Cb 0.27 -0.20 0.03 0.00 0.08 0.00 0.00 29.97 30.14 1urn h ARG 70 CO -0.02 0.72 -1.15 0.77 -1.07 0.00 0.00 179.97 179.22 1urn h SER 71 N 1.01 0.77 0.08 7.04 0.02 -1.15 -3.37 113.55 117.95 1urn h SER 71 Ca 0.26 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1urn h SER 71 Cb 0.00 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1urn h SER 71 CO -0.04 1.56 -0.29 0.23 -1.14 0.00 0.00 176.83 177.14 1urn n MET 72 N -3.89 1.23 -1.66 3.45 2.81 -0.35 -4.89 117.12 113.83 1urn n MET 72 Ca -0.14 -0.89 -0.51 0.00 -1.81 0.00 0.00 57.70 54.34 1urn n MET 72 Cb 0.95 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.92 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 -0.11 1.57 -0.92 0.03 -0.06 -0.61 -1.21 117.38 116.06 1urn n GLN 73 Ca 0.12 0.57 0.00 0.00 -2.00 0.00 0.00 57.00 55.69 1urn n GLN 73 Cb 0.42 -2.29 0.00 0.00 -4.06 0.00 0.00 30.24 24.31 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 3.52 0.70 3.72 1.69 0.00 0.42 -4.95 105.19 110.29 1urn n GLY 74 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.01 2.84 -0.15 1.61 2.19 -0.35 -4.06 117.98 117.05 1urn s PHE 75 Ca 0.00 0.37 -0.29 0.00 0.33 0.00 0.00 56.93 57.34 1urn s PHE 75 Cb 0.00 -4.09 -0.06 0.00 -1.31 0.00 0.00 43.02 37.56 1urn s PHE 75 CO 0.00 -4.15 2.15 -2.14 1.83 0.00 0.00 175.22 172.91 1urn s PRO 76 N 1.40 3.40 -0.07 10.12 0.02 -1.26 -0.99 135.00 147.62 1urn s PRO 76 Ca 0.74 2.18 -0.01 0.00 0.02 0.00 0.00 61.00 63.93 1urn s PRO 76 Cb -0.48 -4.32 0.03 0.00 0.02 0.00 0.00 34.50 29.76 1urn s PRO 76 CO 0.32 -1.80 -0.01 0.12 -0.33 0.00 0.00 177.00 175.31 1urn s PHE 77 N 7.27 0.68 -1.50 6.54 5.36 0.07 -4.80 117.98 131.60 1urn s PHE 77 Ca 0.97 -0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 56.69 1urn s PHE 77 Cb -0.35 -0.77 0.06 0.00 -0.34 0.00 0.00 43.02 41.61 1urn s PHE 77 CO 0.37 -0.30 0.64 0.66 -1.46 0.00 0.00 175.22 175.12 1urn n TYR 78 N 4.95 -1.80 -1.33 10.12 4.01 -1.26 -1.44 117.16 130.41 1urn n TYR 78 Ca -0.10 0.79 -0.11 0.00 -0.16 0.00 0.00 57.90 58.32 1urn n TYR 78 Cb 0.50 -3.61 -0.05 0.00 -0.31 0.00 0.00 39.34 35.88 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 -2.87 -5.06 -3.93 7.72 8.00 -1.26 -4.66 116.55 114.49 1urn n ASP 79 Ca -0.14 0.28 -0.17 0.00 0.71 0.00 0.00 54.79 55.46 1urn n ASP 79 Cb 0.60 -3.55 -0.15 0.00 -0.02 0.00 0.00 41.12 38.00 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 -2.82 0.54 -0.03 -1.24 1.02 -0.52 -5.09 119.74 111.60 1urn s LYS 80 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 1urn s LYS 80 Cb 0.00 -0.55 -0.05 0.00 -0.52 0.00 0.00 37.83 36.71 1urn s LYS 80 CO 0.00 0.04 1.52 -1.25 -0.92 0.00 0.00 175.35 174.74 1urn s PRO 81 N 0.28 4.22 0.45 -1.68 0.04 -1.26 -0.75 135.00 136.30 1urn s PRO 81 Ca -0.03 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 1urn s PRO 81 Cb -0.07 -3.76 -0.08 0.00 0.04 0.00 0.00 34.50 30.64 1urn s PRO 81 CO -0.00 -0.72 1.37 -1.64 0.04 0.00 0.00 177.00 176.04 1urn s MET 82 N 3.19 3.69 -0.23 4.56 -1.94 -0.16 -4.80 119.30 123.61 1urn s MET 82 Ca 0.68 2.28 -0.03 0.00 -1.71 0.00 0.00 55.69 56.91 1urn s MET 82 Cb -0.32 -2.62 0.01 0.00 2.01 0.00 0.00 34.83 33.91 1urn s MET 82 CO 0.27 -0.76 -0.05 1.03 -0.01 0.00 0.00 175.02 175.50 1urn s ARG 83 N -2.47 3.14 -0.08 2.03 1.81 -0.76 -0.44 118.95 122.18 1urn s ARG 83 Ca 0.61 -0.78 0.05 0.00 -1.72 0.00 0.00 55.73 53.89 1urn s ARG 83 Cb -0.41 -2.99 -0.00 0.00 -0.45 0.00 0.00 34.95 31.10 1urn s ARG 83 CO 0.52 -0.28 -0.24 0.42 -0.68 0.00 0.00 175.30 175.03 1urn s ILE 84 N 1.41 2.05 0.36 1.52 1.01 -1.26 -0.62 121.20 125.67 1urn s ILE 84 Ca 0.04 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.70 1urn s ILE 84 Cb -0.15 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1urn s ILE 84 CO -0.04 0.56 0.18 -1.10 0.00 0.00 0.00 174.94 174.54 1urn s GLN 85 N 0.15 1.79 0.14 2.79 -0.21 -0.22 -4.98 119.66 119.11 1urn s GLN 85 Ca -0.13 -2.06 -0.12 0.00 0.02 0.00 0.00 55.36 53.07 1urn s GLN 85 Cb -0.16 -0.19 -0.07 0.00 1.00 0.00 0.00 33.01 33.59 1urn s GLN 85 CO 0.07 -0.52 0.50 0.71 -2.12 0.00 0.00 175.29 173.92 1urn s TYR 86 N -3.39 3.57 0.40 0.91 2.02 -0.20 0.01 117.35 120.67 1urn s TYR 86 Ca 0.32 0.94 -0.27 0.00 -0.37 0.00 0.00 57.07 57.69 1urn s TYR 86 Cb 0.03 -2.28 -0.10 0.00 -0.40 0.00 0.00 41.96 39.20 1urn s TYR 86 CO 0.19 0.44 1.41 0.00 -1.57 0.00 0.00 175.55 176.02 1urn n ALA 87 N 0.70 1.95 0.22 3.71 0.00 0.12 -4.46 120.51 122.74 1urn n ALA 87 Ca -0.05 0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.78 1urn n ALA 87 Cb 0.52 -2.36 0.49 0.00 0.00 0.00 0.00 19.45 18.10 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 2.59 0.00 -4.53 0.00 1.57 -1.90 -3.44 116.57 110.86 1urn h LYS 88 Ca -0.50 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.06 1urn h LYS 88 Cb 1.26 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.40 1urn h LYS 88 CO 0.62 0.27 -0.71 0.95 -0.57 0.00 0.00 179.45 180.01 1urn s THR 89 N -3.94 0.54 0.55 -0.16 -4.23 -1.26 -4.83 115.64 102.31 1urn s THR 89 Ca -0.01 -1.51 -0.21 0.00 -1.18 0.00 0.00 61.69 58.78 1urn s THR 89 Cb 0.12 -1.14 -0.05 0.00 1.34 0.00 0.00 72.50 72.78 1urn s THR 89 CO 0.65 -0.66 1.27 -1.81 -0.54 0.00 0.00 174.62 173.53 1urn s ASP 90 N -2.34 5.35 0.57 3.99 1.01 -1.26 -4.97 116.67 119.02 1urn s ASP 90 Ca 0.01 2.56 -0.18 0.00 0.71 0.00 0.00 52.55 55.65 1urn s ASP 90 Cb -0.02 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1urn s ASP 90 CO -0.03 -1.50 1.09 -0.44 0.21 0.00 0.00 175.17 174.50 1urn s SER 91 N -1.25 5.72 0.24 0.27 0.01 -1.26 -4.75 113.70 112.68 1urn s SER 91 Ca 0.73 1.99 -0.05 0.00 1.31 0.00 0.00 55.95 59.93 1urn s SER 91 Cb -0.35 -2.56 0.41 0.00 0.21 0.00 0.00 66.02 63.73 1urn s SER 91 CO 0.40 -1.21 1.76 0.44 0.41 0.00 0.00 173.24 175.04 1urn h ASP 92 N 0.81 0.41 -0.86 2.44 3.32 -1.98 0.93 116.42 121.50 1urn h ASP 92 Ca -0.48 0.08 0.07 0.00 0.02 0.00 0.00 57.03 56.72 1urn h ASP 92 Cb 1.24 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.75 1urn h ASP 92 CO 0.57 0.20 0.56 -0.29 -1.72 0.00 0.00 179.24 178.56 1urn h ILE 93 N 0.55 1.04 0.00 0.35 2.10 -1.98 -0.82 117.51 118.76 1urn h ILE 93 Ca 0.39 -0.32 -0.01 0.00 1.08 0.00 0.00 64.86 65.99 1urn h ILE 93 Cb 0.50 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 1urn h ILE 93 CO -0.33 0.17 -0.06 0.40 -1.08 0.00 0.00 178.15 177.25 1urn h ILE 94 N 0.94 1.68 -0.38 2.19 1.08 -1.61 -3.33 117.51 118.08 1urn h ILE 94 Ca 0.38 -2.07 0.09 0.00 -0.39 0.00 0.00 64.86 62.86 1urn h ILE 94 Cb 0.25 3.08 -0.02 0.00 -3.07 0.00 0.00 36.82 37.06 1urn h ILE 94 CO -0.14 0.54 0.26 0.00 -0.69 0.00 0.00 178.15 178.13 1urn h ALA 95 N 0.13 2.20 -0.18 1.87 0.00 -0.52 -2.62 119.26 120.15 1urn h ALA 95 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1urn h ALA 95 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1urn h ALA 95 CO 0.01 -0.29 0.00 0.36 0.00 0.00 0.00 179.25 179.33 1urn n LYS 96 N -4.45 2.12 0.00 0.00 -0.00 -0.34 -5.07 118.16 110.41 1urn n LYS 96 Ca 0.05 -0.94 0.00 0.00 -0.00 0.00 0.00 58.31 57.43 1urn n LYS 96 Cb 0.37 -1.68 0.00 0.00 -0.00 0.00 0.00 35.03 33.71 1urn n LYS 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40