#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvl n GLN 2 N 0.00 1.53 -0.11 4.33 0.00 -1.26 -5.08 117.38 116.79 1nvl n GLN 2 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.00 56.81 1nvl n GLN 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.12 1nvl n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nvl n ALA 3 N -3.00 1.35 -0.02 2.61 0.00 -1.26 -4.65 120.51 115.55 1nvl n ALA 3 Ca 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 53.44 52.41 1nvl n ALA 3 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1nvl n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nvl n GLU 4 N -3.32 -0.01 -0.05 0.00 1.02 -1.26 0.11 120.64 117.13 1nvl n GLU 4 Ca -0.44 0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 56.66 1nvl n GLU 4 Cb 1.00 -0.10 -0.05 0.00 -0.02 0.00 0.00 31.44 32.26 1nvl n GLU 4 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1nvl h PHE 5 N 0.00 0.29 0.18 -0.32 3.57 -1.92 0.73 116.94 119.46 1nvl h PHE 5 Ca 0.02 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1nvl h PHE 5 Cb 0.03 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1nvl h PHE 5 CO -0.04 0.37 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.89 1nvl h ASP 6 N 0.13 -0.20 -0.32 0.41 5.19 0.45 0.38 116.42 122.46 1nvl h ASP 6 Ca 0.06 -0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.30 1nvl h ASP 6 Cb 0.22 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1nvl h ASP 6 CO -0.00 0.02 0.10 0.50 -3.12 0.00 0.00 179.24 176.73 1nvl h LYS 7 N -0.42 0.59 0.30 3.56 3.64 -0.61 0.10 116.57 123.72 1nvl h LYS 7 Ca -0.02 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1nvl h LYS 7 Cb 0.33 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1nvl h LYS 7 CO 0.04 0.54 -0.14 0.00 -2.27 0.00 0.00 179.45 177.62 1nvl h ALA 8 N 1.53 -0.40 -0.82 5.00 0.00 0.15 0.25 119.26 124.96 1nvl h ALA 8 Ca 0.13 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.11 1nvl h ALA 8 Cb 0.22 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.03 1nvl h ALA 8 CO -0.00 -0.65 0.18 0.00 0.00 0.00 0.00 179.25 178.78 1nvl h ALA 9 N 0.12 1.11 0.99 0.00 0.00 0.82 0.27 119.26 122.57 1nvl h ALA 9 Ca -0.04 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1nvl h ALA 9 Cb 0.40 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1nvl h ALA 9 CO 0.07 -0.42 -0.48 0.93 0.00 0.00 0.00 179.25 179.35 1nvl h GLU 10 N 0.21 -1.29 -0.82 0.00 4.39 -0.38 -1.49 114.58 115.19 1nvl h GLU 10 Ca 0.49 0.09 0.18 0.00 0.34 0.00 0.00 59.36 60.46 1nvl h GLU 10 Cb 0.93 0.29 -0.15 0.00 -0.10 0.00 0.00 28.75 29.73 1nvl h GLU 10 CO -0.62 -0.86 -0.10 0.93 -1.16 0.00 0.00 179.01 177.20 1nvl h GLU 11 N -1.34 0.03 -0.27 2.33 4.39 0.19 0.69 114.58 120.61 1nvl h GLU 11 Ca -0.14 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1nvl h GLU 11 Cb 1.03 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1nvl h GLU 11 CO 0.22 0.02 -0.01 -0.24 -1.16 0.00 0.00 179.01 177.84 1nvl h VAL 12 N 0.04 1.26 0.00 3.13 3.04 -0.52 -0.31 116.25 122.90 1nvl h VAL 12 Ca 0.43 -0.96 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1nvl h VAL 12 Cb 0.73 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1nvl h VAL 12 CO -0.80 0.30 0.00 0.29 -1.01 0.00 0.00 177.57 176.36 1nvl n LYS 13 N -4.59 0.16 0.11 4.17 5.02 0.16 -0.90 118.16 122.28 1nvl n LYS 13 Ca -0.03 0.38 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 1nvl n LYS 13 Cb 0.26 -1.79 0.30 0.00 -0.02 0.00 0.00 35.03 33.77 1nvl n LYS 13 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nvl h HIS 14 N 0.00 0.00 -1.90 2.13 3.86 0.19 -3.46 115.15 115.97 1nvl h HIS 14 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1nvl h HIS 14 Cb 0.36 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.85 1nvl h HIS 14 CO 0.00 0.00 0.92 1.28 0.86 0.00 0.00 177.93 180.99 1nvl n LEU 15 N -2.37 2.89 0.09 2.43 4.77 -0.08 -4.79 117.00 119.94 1nvl n LEU 15 Ca 0.05 1.04 0.17 0.00 -0.03 0.00 0.00 56.01 57.23 1nvl n LEU 15 Cb 0.45 -1.30 0.69 0.00 -2.33 0.00 0.00 43.42 40.93 1nvl n LEU 15 CO 0.33 -0.31 1.15 0.50 -1.33 0.00 0.00 177.39 177.72 1nvl h LYS 16 N 7.55 0.00 -5.74 3.23 1.63 -1.88 -3.42 116.57 117.95 1nvl h LYS 16 Ca -0.47 0.00 -0.48 0.00 -0.85 0.00 0.00 60.65 58.85 1nvl h LYS 16 Cb 1.29 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.74 1nvl h LYS 16 CO 0.92 0.00 -0.77 0.99 -3.45 0.00 0.00 179.45 177.14 1nvl s THR 17 N -4.99 1.65 -0.50 1.00 2.01 -1.26 -5.10 115.64 108.45 1nvl s THR 17 Ca -0.05 -1.88 -0.21 0.00 0.31 0.00 0.00 61.69 59.86 1nvl s THR 17 Cb 0.19 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.97 1nvl s THR 17 CO 0.70 -0.37 0.72 -1.59 -0.69 0.00 0.00 174.62 173.38 1nvl s LYS 18 N -2.84 3.23 1.28 4.92 -2.85 -1.26 -5.05 119.74 117.18 1nvl s LYS 18 Ca 0.14 -0.54 -0.19 0.00 -1.00 0.00 0.00 55.97 54.38 1nvl s LYS 18 Cb -0.05 -4.04 0.29 0.00 -2.06 0.00 0.00 37.83 31.98 1nvl s LYS 18 CO 0.05 -1.22 0.71 -2.30 0.10 0.00 0.00 175.35 172.69 1nvl n PRO 19 N 6.55 -3.47 -2.34 1.78 -0.02 -1.26 -4.93 135.00 131.30 1nvl n PRO 19 Ca -0.03 -1.02 -0.35 0.00 -2.02 0.00 0.00 63.50 60.09 1nvl n PRO 19 Cb 0.47 -1.88 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 1nvl n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvl s ALA 20 N -2.19 2.80 0.14 3.55 0.00 -1.26 -4.70 121.76 120.09 1nvl s ALA 20 Ca 0.61 0.78 -0.27 0.00 0.00 0.00 0.00 51.96 53.08 1nvl s ALA 20 Cb -0.15 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 1nvl s ALA 20 CO 0.56 -0.61 1.41 -0.25 0.00 0.00 0.00 175.76 176.87 1nvl n ASP 21 N -1.04 -0.91 -0.30 0.00 9.92 -1.26 -0.01 116.55 122.95 1nvl n ASP 21 Ca 0.10 1.62 0.16 0.00 -0.53 0.00 0.00 54.79 56.13 1nvl n ASP 21 Cb 0.51 -0.24 0.41 0.00 -0.64 0.00 0.00 41.12 41.16 1nvl n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1nvl h GLU 22 N 0.00 0.59 -0.09 -1.24 5.08 -1.93 0.54 114.58 117.54 1nvl h GLU 22 Ca 0.14 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 1nvl h GLU 22 Cb 0.35 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nvl h GLU 22 CO -0.81 0.39 -0.78 0.93 -1.00 0.00 0.00 179.01 177.74 1nvl h GLU 23 N 0.61 0.54 0.90 2.33 5.08 -0.78 -3.11 114.58 120.15 1nvl h GLU 23 Ca 0.52 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1nvl h GLU 23 Cb 1.01 0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1nvl h GLU 23 CO -0.27 1.09 -0.43 0.52 -1.00 0.00 0.00 179.01 178.91 1nvl h MET 24 N 0.36 -1.17 -0.58 2.33 2.86 0.10 -2.92 114.93 115.91 1nvl h MET 24 Ca -0.05 0.08 0.12 0.00 -2.06 0.00 0.00 59.70 57.79 1nvl h MET 24 Cb 1.38 0.27 -0.11 0.00 0.06 0.00 0.00 31.60 33.20 1nvl h MET 24 CO 0.14 -0.78 -0.14 1.28 1.06 0.00 0.00 176.91 178.48 1nvl n LEU 25 N -5.61 -0.20 0.37 1.22 4.77 0.17 -0.25 117.00 117.47 1nvl n LEU 25 Ca -0.16 1.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.67 1nvl n LEU 25 Cb 0.48 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1nvl n LEU 25 CO 0.40 -0.97 0.40 0.15 -1.33 0.00 0.00 177.39 176.05 1nvl h PHE 26 N 0.00 -0.91 -0.74 -1.77 3.04 -1.45 0.15 116.94 115.26 1nvl h PHE 26 Ca 0.28 -0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.36 1nvl h PHE 26 Cb 0.44 0.30 -0.14 0.00 2.56 0.00 0.00 35.95 39.11 1nvl h PHE 26 CO -0.44 -0.56 -0.21 0.82 -2.02 0.00 0.00 178.31 175.90 1nvl h ILE 27 N -1.25 0.23 0.36 1.41 1.08 -0.50 0.94 117.51 119.78 1nvl h ILE 27 Ca -0.10 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1nvl h ILE 27 Cb 0.76 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1nvl h ILE 27 CO 0.16 0.00 -0.28 0.22 -0.69 0.00 0.00 178.15 177.57 1nvl h TYR 28 N -0.02 -0.76 -0.61 1.37 3.20 -0.71 0.33 116.97 119.77 1nvl h TYR 28 Ca 0.35 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.31 1nvl h TYR 28 Cb 0.55 0.28 -0.11 0.00 1.54 0.00 0.00 36.73 39.00 1nvl h TYR 28 CO -0.61 -0.39 -0.41 0.66 -1.64 0.00 0.00 178.16 175.76 1nvl h SER 29 N -0.62 -1.43 0.15 -2.11 4.64 -0.01 0.17 113.55 114.34 1nvl h SER 29 Ca -0.05 0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1nvl h SER 29 Cb 0.51 0.67 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1nvl h SER 29 CO 0.01 -0.33 -0.17 0.45 -0.87 0.00 0.00 176.83 175.92 1nvl h HIS 30 N -0.20 -0.45 -0.22 4.77 3.86 -0.81 0.92 115.15 123.02 1nvl h HIS 30 Ca 0.20 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.47 1nvl h HIS 30 Cb 0.56 0.18 -0.05 0.00 1.06 0.00 0.00 27.41 29.16 1nvl h HIS 30 CO -0.71 -0.26 -0.13 -0.92 0.86 0.00 0.00 177.93 176.77 1nvl h TYR 31 N -0.37 -0.32 0.58 2.45 3.20 0.12 0.38 116.97 123.01 1nvl h TYR 31 Ca 0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1nvl h TYR 31 Cb 0.36 0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.81 1nvl h TYR 31 CO -0.15 -0.19 -0.28 0.87 -1.64 0.00 0.00 178.16 176.77 1nvl h LYS 32 N -0.11 -0.75 -0.13 1.82 1.79 -0.61 -2.51 116.57 116.07 1nvl h LYS 32 Ca 0.12 0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1nvl h LYS 32 Cb 0.30 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1nvl h LYS 32 CO -0.29 -0.50 -0.10 1.96 -1.08 0.00 0.00 179.45 179.44 1nvl h GLN 33 N -0.78 -0.03 -0.56 3.15 1.08 -0.21 0.35 115.11 118.11 1nvl h GLN 33 Ca -0.08 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.29 1nvl h GLN 33 Cb 0.59 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1nvl h GLN 33 CO 0.13 -0.02 0.88 0.00 -0.95 0.00 0.00 178.83 178.87 1nvl h ALA 34 N -0.89 2.38 0.00 3.87 0.00 -0.19 0.46 119.26 124.89 1nvl h ALA 34 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1nvl h ALA 34 Cb 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1nvl h ALA 34 CO -0.14 -1.17 -1.58 0.25 0.00 0.00 0.00 179.25 176.61 1nvl n THR 35 N -3.18 0.57 -0.11 0.00 -2.24 -0.82 -4.64 114.28 103.87 1nvl n THR 35 Ca 0.12 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 1nvl n THR 35 Cb 1.07 -1.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.11 1nvl n THR 35 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1nvl n VAL 36 N -3.02 1.50 0.00 2.28 0.31 0.12 -5.08 118.33 114.45 1nvl n VAL 36 Ca -0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1nvl n VAL 36 Cb 0.67 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1nvl n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nvl n GLY 37 N 1.41 1.30 3.83 2.92 0.00 0.16 -5.00 105.19 109.82 1nvl n GLY 37 Ca -0.31 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 1nvl n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvl s ASP 38 N -4.00 5.31 -0.20 1.61 1.11 -1.26 -4.02 116.67 115.22 1nvl s ASP 38 Ca 0.00 1.44 -0.14 0.00 0.18 0.00 0.00 52.55 54.03 1nvl s ASP 38 Cb 0.00 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.64 1nvl s ASP 38 CO 0.00 -1.47 0.30 -0.51 1.18 0.00 0.00 175.17 174.68 1nvl s ILE 39 N -3.14 5.28 -0.09 0.77 2.07 -1.26 -4.94 121.20 119.88 1nvl s ILE 39 Ca 0.58 0.52 0.13 0.00 -1.41 0.00 0.00 60.65 60.47 1nvl s ILE 39 Cb -0.13 -3.64 0.22 0.00 0.13 0.00 0.00 42.46 39.04 1nvl s ILE 39 CO 0.54 0.32 1.11 -0.46 -1.91 0.00 0.00 174.94 174.54 1nvl n ASN 40 N 4.14 1.53 -4.59 4.50 0.23 -1.26 -5.04 115.26 114.77 1nvl n ASN 40 Ca -0.11 -2.77 -0.34 0.00 -0.53 0.00 0.00 54.58 50.82 1nvl n ASN 40 Cb 0.52 -0.36 -0.11 0.00 -2.08 0.00 0.00 39.78 37.74 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1nvl s THR 41 N -1.91 3.83 0.36 5.53 -4.23 -1.26 -5.09 115.64 112.87 1nvl s THR 41 Ca 0.23 -0.42 -0.27 0.00 -1.18 0.00 0.00 61.69 60.04 1nvl s THR 41 Cb 0.21 -2.59 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 1nvl s THR 41 CO 0.01 0.59 1.29 -1.61 -0.54 0.00 0.00 174.62 174.35 1nvl s GLU 42 N -0.66 4.20 -0.35 3.99 2.02 -1.26 -4.90 118.70 121.73 1nvl s GLU 42 Ca 0.10 2.16 -0.41 0.00 0.02 0.00 0.00 54.97 56.84 1nvl s GLU 42 Cb -0.12 -2.93 -0.16 0.00 0.10 0.00 0.00 34.13 31.02 1nvl s GLU 42 CO 0.02 -0.30 1.81 -2.13 0.02 0.00 0.00 175.26 174.67 1nvl n ARG 43 N 0.51 0.84 -1.10 1.61 0.63 -1.26 -4.85 116.66 113.03 1nvl n ARG 43 Ca 0.02 0.29 -0.35 0.00 -0.92 0.00 0.00 57.85 56.89 1nvl n ARG 43 Cb 0.43 -1.98 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1nvl n ARG 43 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nvl n PRO 44 N 5.65 0.00 -0.11 -0.14 -0.02 -1.26 -4.99 135.00 134.12 1nvl n PRO 44 Ca 0.31 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.65 1nvl n PRO 44 Cb 0.09 -0.86 -0.14 0.00 -0.02 0.00 0.00 33.50 32.57 1nvl n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvl n GLY 45 N 2.06 -0.67 0.13 -1.23 0.00 -1.26 -4.80 105.19 99.41 1nvl n GLY 45 Ca 0.09 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1nvl n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nvl n MET 46 N -3.02 0.60 -4.03 1.61 2.81 -1.26 -5.01 117.12 108.82 1nvl n MET 46 Ca -0.39 0.37 -0.27 0.00 -1.81 0.00 0.00 57.70 55.60 1nvl n MET 46 Cb 1.07 -1.61 -0.05 0.00 -0.71 0.00 0.00 33.22 31.92 1nvl n MET 46 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1nvl s LEU 47 N -7.51 3.97 0.00 4.03 1.02 -1.26 -5.05 118.68 113.88 1nvl s LEU 47 Ca -0.33 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 53.80 1nvl s LEU 47 Cb 0.10 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.73 1nvl s LEU 47 CO 0.56 0.08 0.00 0.47 0.02 0.00 0.00 176.35 177.49 1nvl n ASP 48 N -0.27 0.00 -0.40 2.29 9.92 -1.26 -0.98 116.55 125.84 1nvl n ASP 48 Ca -0.08 0.00 0.32 0.00 -0.53 0.00 0.00 54.79 54.50 1nvl n ASP 48 Cb 0.54 0.00 0.60 0.00 -0.64 0.00 0.00 41.12 41.62 1nvl n ASP 48 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1nvl h PHE 49 N 0.00 0.61 0.00 1.24 -0.00 -1.98 0.47 116.94 117.28 1nvl h PHE 49 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.00 1nvl h PHE 49 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 35.95 35.79 1nvl h PHE 49 CO 0.00 -0.16 -1.70 1.17 -0.00 0.00 0.00 178.31 177.62 1nvl n LYS 50 N -4.74 0.60 0.00 6.09 4.81 -1.26 -4.36 118.16 119.29 1nvl n LYS 50 Ca 0.34 -0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1nvl n LYS 50 Cb 1.26 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 34.72 1nvl n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nvl n GLY 51 N 1.26 0.17 0.51 3.14 0.00 0.13 -4.47 105.19 105.93 1nvl n GLY 51 Ca -0.02 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.35 1nvl n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvl h LYS 52 N 0.00 0.12 0.72 1.61 6.56 0.12 -1.06 116.57 124.64 1nvl h LYS 52 Ca 0.00 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1nvl h LYS 52 Cb 0.00 -0.03 0.01 0.00 -0.57 0.00 0.00 32.23 31.64 1nvl h LYS 52 CO 0.00 0.08 -0.35 0.00 -2.06 0.00 0.00 179.45 177.12 1nvl h ALA 53 N 1.46 -1.08 -0.11 3.86 0.00 -0.71 0.45 119.26 123.13 1nvl h ALA 53 Ca 0.72 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.45 1nvl h ALA 53 Cb 2.44 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 20.61 1nvl h ALA 53 CO -0.22 -1.00 0.23 1.57 0.00 0.00 0.00 179.25 179.82 1nvl h LYS 54 N -1.13 0.00 0.01 0.00 2.10 -1.43 0.39 116.57 116.51 1nvl h LYS 54 Ca -0.10 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1nvl h LYS 54 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1nvl h LYS 54 CO 0.16 0.00 -0.01 2.35 -2.00 0.00 0.00 179.45 179.96 1nvl h TRP 55 N 0.00 -0.02 -0.55 0.07 7.01 -0.83 -3.17 115.95 118.46 1nvl h TRP 55 Ca 0.05 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.10 1nvl h TRP 55 Cb 0.51 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.51 1nvl h TRP 55 CO 0.00 -0.01 -0.33 -0.25 -2.79 0.00 0.00 178.44 175.06 1nvl n ASP 56 N -2.69 -0.59 -0.32 2.65 8.00 0.15 0.60 116.55 124.35 1nvl n ASP 56 Ca -0.00 1.19 0.22 0.00 0.71 0.00 0.00 54.79 56.90 1nvl n ASP 56 Cb 0.01 -0.23 0.43 0.00 -0.02 0.00 0.00 41.12 41.31 1nvl n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nvl h ALA 57 N 0.07 1.75 0.16 2.24 0.00 -0.40 0.21 119.26 123.29 1nvl h ALA 57 Ca 0.09 0.23 -0.33 0.00 0.00 0.00 0.00 54.91 54.90 1nvl h ALA 57 Cb 0.23 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nvl h ALA 57 CO -0.52 -0.63 -1.67 2.35 0.00 0.00 0.00 179.25 178.78 1nvl h TRP 58 N 0.19 0.61 -0.94 0.00 7.01 0.19 -3.29 115.95 119.72 1nvl h TRP 58 Ca 0.70 -0.44 0.14 0.00 2.11 0.00 0.00 58.89 61.39 1nvl h TRP 58 Cb 1.61 -0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 28.56 1nvl h TRP 58 CO -0.13 1.55 0.55 -0.97 -2.79 0.00 0.00 178.44 176.66 1nvl h ASN 59 N 0.09 0.76 0.00 2.65 -1.24 0.23 -0.80 115.58 117.27 1nvl h ASN 59 Ca -0.30 0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1nvl h ASN 59 Cb 2.07 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 41.05 1nvl h ASN 59 CO 0.17 0.36 0.53 -0.33 -1.29 0.00 0.00 177.43 176.87 1nvl h GLU 60 N 0.82 0.00 -0.01 6.67 5.08 -0.81 0.11 114.58 126.45 1nvl h GLU 60 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1nvl h GLU 60 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1nvl h GLU 60 CO -0.31 0.00 -0.04 1.28 -1.00 0.00 0.00 179.01 178.94 1nvl n LEU 61 N -2.71 1.24 -4.46 1.33 4.77 -0.32 -5.05 117.00 111.80 1nvl n LEU 61 Ca -0.01 -0.92 -0.64 0.00 -0.03 0.00 0.00 56.01 54.42 1nvl n LEU 61 Cb 0.56 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1nvl n LEU 61 CO 0.09 0.26 1.25 1.17 -1.33 0.00 0.00 177.39 178.83 1nvl n LYS 62 N 0.06 0.00 0.00 3.23 4.81 0.38 -2.07 118.16 124.57 1nvl n LYS 62 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1nvl n LYS 62 Cb 0.12 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1nvl n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nvl n GLY 63 N 4.68 2.21 3.34 3.14 0.00 -1.26 -4.90 105.19 112.41 1nvl n GLY 63 Ca 0.36 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1nvl n GLY 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nvl n THR 64 N 0.00 0.95 -2.33 2.61 -1.04 -0.88 -4.87 114.28 108.71 1nvl n THR 64 Ca 0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.09 1nvl n THR 64 Cb 0.00 -0.21 -0.03 0.00 -1.82 0.00 0.00 70.33 68.27 1nvl n THR 64 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1nvl s SER 65 N -1.01 6.99 0.19 8.00 0.01 -1.26 -4.87 113.70 121.75 1nvl s SER 65 Ca 0.61 2.14 -0.12 0.00 1.31 0.00 0.00 55.95 59.90 1nvl s SER 65 Cb -0.57 -2.58 0.23 0.00 0.21 0.00 0.00 66.02 63.31 1nvl s SER 65 CO 0.61 -0.52 1.20 0.29 0.41 0.00 0.00 173.24 175.23 1nvl n LYS 66 N 3.79 -0.15 -0.28 12.44 5.02 -1.26 -0.42 118.16 137.30 1nvl n LYS 66 Ca 0.09 1.20 0.10 0.00 -2.02 0.00 0.00 58.31 57.69 1nvl n LYS 66 Cb 0.45 -1.78 0.26 0.00 -0.02 0.00 0.00 35.03 33.94 1nvl n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nvl h GLU 67 N 0.00 0.29 -0.29 1.97 5.08 -1.89 0.14 114.58 119.88 1nvl h GLU 67 Ca 0.30 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1nvl h GLU 67 Cb 0.49 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1nvl h GLU 67 CO -0.78 0.19 -0.15 -0.44 -1.00 0.00 0.00 179.01 176.84 1nvl h ASP 68 N 0.30 0.64 -0.66 1.42 5.19 -1.11 0.19 116.42 122.39 1nvl h ASP 68 Ca 0.51 -0.41 0.07 0.00 -0.62 0.00 0.00 57.03 56.58 1nvl h ASP 68 Cb 0.95 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.23 1nvl h ASP 68 CO -0.56 0.91 0.35 0.00 -3.12 0.00 0.00 179.24 176.82 1nvl h ALA 69 N 0.75 0.89 0.83 3.45 0.00 -0.96 -1.36 119.26 122.86 1nvl h ALA 69 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1nvl h ALA 69 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nvl h ALA 69 CO 0.04 -0.01 -0.42 0.52 0.00 0.00 0.00 179.25 179.39 1nvl h MET 70 N 0.63 -1.10 -0.76 0.00 2.86 -0.07 0.30 114.93 116.79 1nvl h MET 70 Ca 0.31 0.08 0.25 0.00 -2.06 0.00 0.00 59.70 58.28 1nvl h MET 70 Cb 0.25 0.25 -0.14 0.00 0.06 0.00 0.00 31.60 32.02 1nvl h MET 70 CO -0.21 -0.73 0.17 1.63 1.06 0.00 0.00 176.91 178.82 1nvl n LYS 71 N -5.59 -0.05 -0.10 1.72 5.02 0.59 -0.54 118.16 119.21 1nvl n LYS 71 Ca -0.15 1.10 -0.22 0.00 -2.02 0.00 0.00 58.31 57.02 1nvl n LYS 71 Cb 0.46 -1.84 -0.12 0.00 -0.02 0.00 0.00 35.03 33.52 1nvl n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nvl n ALA 72 N -2.95 0.80 -0.37 7.82 0.00 -0.73 -3.83 120.51 121.24 1nvl n ALA 72 Ca 0.22 -0.50 -0.01 0.00 0.00 0.00 0.00 53.44 53.14 1nvl n ALA 72 Cb 0.74 -0.55 0.03 0.00 0.00 0.00 0.00 19.45 19.67 1nvl n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1nvl n TYR 73 N -4.39 0.01 -0.24 0.00 9.36 0.11 0.60 117.16 122.61 1nvl n TYR 73 Ca -0.33 1.18 0.06 0.00 3.32 0.00 0.00 57.90 62.13 1nvl n TYR 73 Cb 0.70 -0.85 0.31 0.00 -0.63 0.00 0.00 39.34 38.87 1nvl n TYR 73 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1nvl h ILE 74 N 0.00 1.03 0.00 2.97 2.04 -1.03 0.21 117.51 122.73 1nvl h ILE 74 Ca 0.33 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1nvl h ILE 74 Cb 0.57 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1nvl h ILE 74 CO -0.95 0.16 -0.29 -0.78 0.00 0.00 0.00 178.15 176.29 1nvl h ASP 75 N 0.87 0.00 0.21 1.72 3.58 0.05 -2.05 116.42 120.80 1nvl h ASP 75 Ca 0.35 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 1nvl h ASP 75 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1nvl h ASP 75 CO -0.13 0.00 -0.10 0.50 -2.88 0.00 0.00 179.24 176.63 1nvl h LYS 76 N 0.00 -0.27 -0.62 0.28 3.11 0.15 0.07 116.57 119.30 1nvl h LYS 76 Ca 0.00 0.02 0.12 0.00 -2.81 0.00 0.00 60.65 57.98 1nvl h LYS 76 Cb 0.99 0.06 -0.12 0.00 -1.00 0.00 0.00 32.23 32.16 1nvl h LYS 76 CO 0.00 0.11 -0.25 0.28 -2.81 0.00 0.00 179.45 176.77 1nvl h VAL 77 N -0.91 0.25 -0.55 2.00 2.07 -0.60 0.17 116.25 118.68 1nvl h VAL 77 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1nvl h VAL 77 Cb 0.50 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1nvl h VAL 77 CO 0.05 0.00 0.30 -0.08 0.02 0.00 0.00 177.57 177.86 1nvl h GLU 78 N -0.09 0.76 -0.94 1.57 4.22 -1.24 0.25 114.58 119.12 1nvl h GLU 78 Ca 0.27 -0.09 -0.00 0.00 0.08 0.00 0.00 59.36 59.62 1nvl h GLU 78 Cb 0.52 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1nvl h GLU 78 CO -0.68 0.58 0.57 1.05 -2.18 0.00 0.00 179.01 178.36 1nvl h GLU 79 N 0.73 1.27 0.18 1.92 4.11 0.89 0.23 114.58 123.90 1nvl h GLU 79 Ca 0.19 -0.11 0.01 0.00 0.07 0.00 0.00 59.36 59.52 1nvl h GLU 79 Cb 0.04 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1nvl h GLU 79 CO -0.03 0.88 -0.19 -0.07 0.07 0.00 0.00 179.01 179.67 1nvl h LEU 80 N 1.29 -0.50 -0.40 3.06 3.38 -0.25 0.18 115.31 122.07 1nvl h LEU 80 Ca 0.34 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.44 1nvl h LEU 80 Cb -0.07 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 1nvl h LEU 80 CO -0.06 -0.28 -0.25 0.50 0.09 0.00 0.00 178.44 178.43 1nvl h LYS 81 N -0.40 -0.18 -0.88 1.13 3.64 0.50 0.41 116.57 120.79 1nvl h LYS 81 Ca 0.00 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.52 1nvl h LYS 81 Cb 0.38 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.16 1nvl h LYS 81 CO -0.06 -0.12 0.50 0.87 -2.27 0.00 0.00 179.45 178.38 1nvl h LYS 82 N -0.18 0.75 -0.09 1.90 1.57 0.06 0.18 116.57 120.76 1nvl h LYS 82 Ca 0.19 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1nvl h LYS 82 Cb 0.48 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1nvl h LYS 82 CO -0.51 0.49 -0.16 0.87 -0.57 0.00 0.00 179.45 179.57 1nvl h LYS 83 N 0.77 0.27 0.00 3.15 1.57 0.41 -3.37 116.57 119.37 1nvl h LYS 83 Ca 0.45 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1nvl h LYS 83 Cb 0.52 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1nvl h LYS 83 CO -0.30 0.76 -1.00 1.88 -0.57 0.00 0.00 179.45 180.22 1nvl h TYR 84 N -0.19 0.00 0.00 -1.35 0.05 -0.02 -3.50 116.97 111.96 1nvl h TYR 84 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1nvl h TYR 84 Cb 0.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.48 1nvl h TYR 84 CO 0.11 0.26 0.00 0.41 -1.05 0.00 0.00 178.16 177.89 1nvl n GLY 85 N 1.25 1.92 0.00 3.88 0.00 0.62 -4.89 105.19 107.97 1nvl n GLY 85 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83