#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 3.18 -0.07 1.43 7.27 -1.26 -4.98 117.38 122.95 1nvl n GLN 2 Ca 0.00 -4.56 -0.01 0.00 0.07 0.00 0.00 57.00 52.50 1nvl n GLN 2 Cb 0.00 -2.40 -0.00 0.00 2.41 0.00 0.00 30.24 30.25 1nvl n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nvl n ALA 3 N 1.58 -0.05 -0.34 1.69 0.00 -1.26 -1.09 120.51 121.05 1nvl n ALA 3 Ca 0.26 0.16 0.27 0.00 0.00 0.00 0.00 53.44 54.13 1nvl n ALA 3 Cb 0.37 -0.06 0.45 0.00 0.00 0.00 0.00 19.45 20.21 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 -4.24 -0.02 0.24 0.00 4.71 -1.26 0.67 120.64 120.74 1nvl n GLU 4 Ca 0.01 0.74 -0.10 0.00 -0.01 0.00 0.00 57.16 57.81 1nvl n GLU 4 Cb 0.06 -1.54 -0.05 0.00 -1.01 0.00 0.00 31.44 28.91 1nvl n GLU 4 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1nvl h PHE 5 N 0.00 -0.61 -0.65 -0.32 3.57 -1.46 0.33 116.94 117.80 1nvl h PHE 5 Ca 0.56 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.16 1nvl h PHE 5 Cb 1.93 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 40.79 1nvl h PHE 5 CO -0.00 -0.38 0.17 -0.44 -2.23 0.00 0.00 178.31 175.43 1nvl h ASP 6 N -1.15 0.07 -0.50 0.41 5.19 0.05 0.36 116.42 120.85 1nvl h ASP 6 Ca -0.07 0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.50 1nvl h ASP 6 Cb 0.51 0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.11 1nvl h ASP 6 CO 0.11 0.03 0.25 0.50 -3.12 0.00 0.00 179.24 177.01 1nvl h LYS 7 N 0.30 0.48 -0.10 3.56 3.64 -0.92 0.31 116.57 123.84 1nvl h LYS 7 Ca 0.34 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1nvl h LYS 7 Cb 0.52 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1nvl h LYS 7 CO -0.41 0.32 0.05 0.00 -2.27 0.00 0.00 179.45 177.14 1nvl h ALA 8 N 1.27 0.13 -0.13 5.00 0.00 0.28 0.11 119.26 125.92 1nvl h ALA 8 Ca 0.22 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1nvl h ALA 8 Cb 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1nvl h ALA 8 CO -0.15 -0.32 -0.18 0.00 0.00 0.00 0.00 179.25 178.60 1nvl h ALA 9 N 0.94 -0.11 -0.09 0.00 0.00 0.76 0.48 119.26 121.24 1nvl h ALA 9 Ca 0.04 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nvl h ALA 9 Cb 0.09 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1nvl h ALA 9 CO -0.01 -0.63 -0.38 0.93 0.00 0.00 0.00 179.25 179.16 1nvl h GLU 10 N -0.22 -0.46 -0.84 0.00 5.08 -0.15 0.18 114.58 118.16 1nvl h GLU 10 Ca 0.10 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.60 1nvl h GLU 10 Cb 0.37 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 1nvl h GLU 10 CO -0.26 -0.31 0.47 0.93 -1.00 0.00 0.00 179.01 178.84 1nvl h GLU 11 N -0.48 0.72 -0.03 2.33 5.08 -0.09 0.25 114.58 122.37 1nvl h GLU 11 Ca 0.07 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1nvl h GLU 11 Cb 0.60 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1nvl h GLU 11 CO -0.35 0.48 0.00 -0.24 -1.00 0.00 0.00 179.01 177.90 1nvl h VAL 12 N 0.74 1.24 -0.91 3.13 3.04 0.12 -1.99 116.25 121.63 1nvl h VAL 12 Ca 0.43 -0.71 0.23 0.00 -1.01 0.00 0.00 66.70 65.64 1nvl h VAL 12 Cb 0.47 1.66 -0.06 0.00 -2.01 0.00 0.00 31.29 31.36 1nvl h VAL 12 CO -0.29 0.19 0.62 0.11 -1.01 0.00 0.00 177.57 177.19 1nvl h LYS 13 N -0.24 0.23 -0.00 4.17 1.57 0.11 0.23 116.57 122.63 1nvl h LYS 13 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1nvl h LYS 13 Cb 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1nvl h LYS 13 CO 0.00 0.15 -0.08 0.72 -0.57 0.00 0.00 179.45 179.67 1nvl n HIS 14 N -4.42 0.00 -1.68 -1.35 8.25 0.00 -4.92 115.22 111.10 1nvl n HIS 14 Ca 0.19 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.28 1nvl n HIS 14 Cb 0.82 -0.17 0.06 0.00 1.12 0.00 0.00 29.99 31.82 1nvl n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nvl n LEU 15 N -0.94 5.02 -0.05 2.41 4.77 0.79 -4.87 117.00 124.13 1nvl n LEU 15 Ca 0.15 0.81 0.01 0.00 -0.03 0.00 0.00 56.01 56.96 1nvl n LEU 15 Cb 0.26 -1.48 0.32 0.00 -2.33 0.00 0.00 43.42 40.18 1nvl n LEU 15 CO 0.23 -1.39 1.05 0.50 -1.33 0.00 0.00 177.39 176.45 1nvl h LYS 16 N 0.48 0.63 -6.41 3.23 3.11 -1.89 -3.44 116.57 112.29 1nvl h LYS 16 Ca -0.50 -0.09 -0.62 0.00 -2.81 0.00 0.00 60.65 56.63 1nvl h LYS 16 Cb 1.35 -0.12 -0.15 0.00 -1.00 0.00 0.00 32.23 32.31 1nvl h LYS 16 CO 0.52 0.53 -0.76 0.99 -2.81 0.00 0.00 179.45 177.92 1nvl s THR 17 N -5.29 2.68 -0.50 1.00 2.01 -1.26 -5.08 115.64 109.20 1nvl s THR 17 Ca -0.09 -2.07 -0.23 0.00 0.31 0.00 0.00 61.69 59.61 1nvl s THR 17 Cb 0.16 -2.35 0.04 0.00 0.01 0.00 0.00 72.50 70.36 1nvl s THR 17 CO 0.76 -0.24 0.85 -0.54 -0.69 0.00 0.00 174.62 174.77 1nvl s LYS 18 N -3.08 3.35 1.36 4.92 3.01 -1.26 -5.03 119.74 123.00 1nvl s LYS 18 Ca 0.26 -0.23 -0.23 0.00 -1.01 0.00 0.00 55.97 54.76 1nvl s LYS 18 Cb -0.07 -4.00 0.35 0.00 -1.01 0.00 0.00 37.83 33.10 1nvl s LYS 18 CO 0.14 -1.30 0.86 -2.30 0.51 0.00 0.00 175.35 173.25 1nvl n PRO 19 N 7.03 -4.48 -1.67 -1.68 -0.02 -1.26 -4.97 135.00 127.94 1nvl n PRO 19 Ca 0.01 -1.43 -0.31 0.00 -2.02 0.00 0.00 63.50 59.75 1nvl n PRO 19 Cb 0.48 -1.76 0.04 0.00 -0.02 0.00 0.00 33.50 32.24 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 -2.26 2.69 0.14 3.55 0.00 -1.26 -4.68 121.76 119.94 1nvl s ALA 20 Ca 0.64 0.15 -0.32 0.00 0.00 0.00 0.00 51.96 52.44 1nvl s ALA 20 Cb -0.10 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1nvl s ALA 20 CO 0.53 -1.13 1.53 -0.44 0.00 0.00 0.00 175.76 176.25 1nvl h ASP 21 N -0.47 -1.92 -0.92 0.00 5.19 -1.97 0.62 116.42 116.95 1nvl h ASP 21 Ca -0.44 0.26 0.26 0.00 -0.62 0.00 0.00 57.03 56.49 1nvl h ASP 21 Cb 1.21 0.81 -0.16 0.00 0.18 0.00 0.00 39.33 41.37 1nvl h ASP 21 CO 0.57 -0.34 0.17 -0.33 -3.12 0.00 0.00 179.24 176.18 1nvl h GLU 22 N -0.27 0.10 -0.01 3.56 3.07 -1.98 0.58 114.58 119.62 1nvl h GLU 22 Ca 0.10 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1nvl h GLU 22 Cb 0.52 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1nvl h GLU 22 CO -0.69 0.07 -0.02 0.93 -1.40 0.00 0.00 179.01 177.89 1nvl h GLU 23 N 0.10 0.04 -0.79 2.33 4.39 -1.64 -0.84 114.58 118.17 1nvl h GLU 23 Ca 0.59 -0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.45 1nvl h GLU 23 Cb 1.24 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.76 1nvl h GLU 23 CO -0.77 0.59 0.14 0.52 -1.16 0.00 0.00 179.01 178.34 1nvl h MET 24 N -0.51 0.20 0.60 2.33 2.86 0.14 -0.04 114.93 120.50 1nvl h MET 24 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1nvl h MET 24 Cb 0.59 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1nvl h MET 24 CO 0.01 0.13 -0.41 -0.07 1.06 0.00 0.00 176.91 177.62 1nvl h LEU 25 N 0.20 -1.07 0.08 1.22 3.38 0.14 0.54 115.31 119.80 1nvl h LEU 25 Ca 0.46 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.52 1nvl h LEU 25 Cb 0.84 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1nvl h LEU 25 CO -0.60 -0.61 -0.30 0.15 0.09 0.00 0.00 178.44 177.16 1nvl h PHE 26 N -0.96 -0.82 -0.39 1.13 3.04 -0.43 0.19 116.94 118.69 1nvl h PHE 26 Ca -0.08 0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.97 1nvl h PHE 26 Cb 0.79 0.35 -0.08 0.00 2.56 0.00 0.00 35.95 39.57 1nvl h PHE 26 CO -0.11 -0.41 -0.11 0.82 -2.02 0.00 0.00 178.31 176.48 1nvl h ILE 27 N -0.50 0.58 0.81 1.41 1.08 -0.99 -0.91 117.51 118.99 1nvl h ILE 27 Ca 0.04 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.47 1nvl h ILE 27 Cb 0.55 0.58 -0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1nvl h ILE 27 CO -0.20 0.00 -0.49 0.22 -0.69 0.00 0.00 178.15 176.98 1nvl h TYR 28 N -0.02 -1.31 -0.21 1.37 3.20 0.80 0.31 116.97 121.10 1nvl h TYR 28 Ca 0.19 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1nvl h TYR 28 Cb 0.31 0.47 -0.07 0.00 1.54 0.00 0.00 36.73 38.98 1nvl h TYR 28 CO -0.36 -0.74 -0.54 0.66 -1.64 0.00 0.00 178.16 175.54 1nvl h SER 29 N -1.22 -1.75 -0.02 -2.11 4.64 -0.45 0.14 113.55 112.79 1nvl h SER 29 Ca -0.11 0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1nvl h SER 29 Cb 0.97 0.69 -0.05 0.00 -0.31 0.00 0.00 62.40 63.71 1nvl h SER 29 CO 0.11 -0.45 -0.26 0.45 -0.87 0.00 0.00 176.83 175.81 1nvl h HIS 30 N -0.52 -0.69 -0.36 4.77 3.86 -1.17 -1.36 115.15 119.68 1nvl h HIS 30 Ca 0.04 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.35 1nvl h HIS 30 Cb 0.65 0.31 -0.08 0.00 1.06 0.00 0.00 27.41 29.35 1nvl h HIS 30 CO -0.63 -0.35 -0.14 -0.92 0.86 0.00 0.00 177.93 176.75 1nvl h TYR 31 N -0.39 -0.35 0.06 2.45 3.20 0.26 0.28 116.97 122.50 1nvl h TYR 31 Ca 0.07 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1nvl h TYR 31 Cb 0.48 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1nvl h TYR 31 CO -0.30 -0.22 -0.18 0.87 -1.64 0.00 0.00 178.16 176.69 1nvl h LYS 32 N -0.08 -0.31 0.77 1.82 1.79 -0.32 -1.22 116.57 119.02 1nvl h LYS 32 Ca 0.18 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.63 1nvl h LYS 32 Cb 0.35 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1nvl h LYS 32 CO -0.41 -0.21 -0.42 0.37 -1.08 0.00 0.00 179.45 177.71 1nvl h GLN 33 N -0.32 -1.05 -0.83 3.15 -0.00 -0.80 0.23 115.11 115.49 1nvl h GLN 33 Ca 0.04 0.07 0.24 0.00 -0.00 0.00 0.00 58.65 59.00 1nvl h GLN 33 Cb 0.36 0.24 -0.03 0.00 0.00 0.00 0.00 27.48 28.05 1nvl h GLN 33 CO -0.12 -0.70 0.97 0.00 0.00 0.00 0.00 178.83 178.97 1nvl h ALA 34 N -1.38 2.68 0.00 3.38 0.00 -0.33 -0.57 119.26 123.04 1nvl h ALA 34 Ca -0.10 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1nvl h ALA 34 Cb 0.85 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1nvl h ALA 34 CO 0.14 -1.39 -1.35 0.25 0.00 0.00 0.00 179.25 176.90 1nvl n THR 35 N -3.38 0.97 -0.08 0.00 -2.24 -0.47 -4.67 114.28 104.42 1nvl n THR 35 Ca 0.18 -0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.76 1nvl n THR 35 Cb 1.23 -1.79 -0.13 0.00 -2.10 0.00 0.00 70.33 67.55 1nvl n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1nvl h VAL 36 N -0.50 1.55 0.00 2.28 2.07 -0.50 -3.50 116.25 117.64 1nvl h VAL 36 Ca -0.23 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1nvl h VAL 36 Cb 1.04 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.87 1nvl h VAL 36 CO -0.14 0.53 0.00 0.61 0.02 0.00 0.00 177.57 178.58 1nvl n GLY 37 N 1.56 1.13 3.77 2.17 0.00 -0.23 -4.99 105.19 108.61 1nvl n GLY 37 Ca -0.16 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 2.53 -0.30 1.61 1.11 -0.87 -4.10 116.67 112.65 1nvl s ASP 38 Ca 0.00 0.65 -0.08 0.00 0.18 0.00 0.00 52.55 53.30 1nvl s ASP 38 Cb 0.00 -0.96 0.00 0.00 1.07 0.00 0.00 42.92 43.03 1nvl s ASP 38 CO 0.00 -3.13 0.11 -0.51 1.18 0.00 0.00 175.17 172.82 1nvl s ILE 39 N -3.37 4.22 -0.27 0.77 2.07 -1.26 -4.93 121.20 118.42 1nvl s ILE 39 Ca 0.69 -0.59 0.12 0.00 -1.41 0.00 0.00 60.65 59.47 1nvl s ILE 39 Cb -0.10 -3.17 0.73 0.00 0.13 0.00 0.00 42.46 40.05 1nvl s ILE 39 CO 0.54 0.07 1.72 -0.46 -1.91 0.00 0.00 174.94 174.90 1nvl n ASN 40 N 4.91 4.90 -4.67 4.50 0.23 -1.26 -4.91 115.26 118.95 1nvl n ASN 40 Ca -0.14 -3.13 -0.28 0.00 -0.53 0.00 0.00 54.58 50.50 1nvl n ASN 40 Cb 0.48 -0.69 -0.10 0.00 -2.08 0.00 0.00 39.78 37.40 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 -2.92 1.93 0.33 5.53 -4.23 -1.26 -5.15 115.64 109.88 1nvl s THR 41 Ca 0.53 -1.93 0.07 0.00 -1.18 0.00 0.00 61.69 59.18 1nvl s THR 41 Cb 0.42 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1nvl s THR 41 CO 0.13 0.00 0.31 -1.83 -0.54 0.00 0.00 174.62 172.69 1nvl s GLU 42 N -3.78 2.77 -0.03 3.99 -1.05 -1.26 -5.08 118.70 114.26 1nvl s GLU 42 Ca 0.32 -1.26 -0.30 0.00 -0.15 0.00 0.00 54.97 53.58 1nvl s GLU 42 Cb 0.07 -2.51 -0.05 0.00 -0.44 0.00 0.00 34.13 31.20 1nvl s GLU 42 CO 0.17 0.09 1.44 0.50 0.95 0.00 0.00 175.26 178.41 1nvl s ARG 43 N -4.01 4.26 1.11 -4.83 3.52 -1.26 -5.03 118.95 112.70 1nvl s ARG 43 Ca 0.41 1.98 -0.18 0.00 -0.13 0.00 0.00 55.73 57.82 1nvl s ARG 43 Cb -0.06 -3.67 0.11 0.00 -1.56 0.00 0.00 34.95 29.77 1nvl s ARG 43 CO 0.27 -0.64 0.09 -0.35 -0.81 0.00 0.00 175.30 173.85 1nvl n PRO 44 N 5.82 -1.54 0.06 5.12 -0.04 -1.26 -5.07 135.00 138.09 1nvl n PRO 44 Ca 0.14 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1nvl n PRO 44 Cb 0.43 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1nvl n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nvl n GLY 45 N 1.93 -0.07 0.00 0.55 0.00 -1.26 -4.82 105.19 101.52 1nvl n GLY 45 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nvl n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nvl n MET 46 N -3.29 0.00 -3.58 1.61 0.00 -1.26 -4.68 117.12 105.93 1nvl n MET 46 Ca 0.00 0.82 -0.21 0.00 0.00 0.00 0.00 57.70 58.31 1nvl n MET 46 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 33.22 31.81 1nvl n MET 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1nvl s LEU 47 N -4.90 4.06 0.00 3.17 1.43 -1.26 -5.07 118.68 116.11 1nvl s LEU 47 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1nvl s LEU 47 Cb 0.00 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1nvl s LEU 47 CO 0.00 -0.32 0.00 -0.67 0.23 0.00 0.00 176.35 175.59 1nvl n ASP 48 N -1.64 0.00 -0.36 2.29 -0.08 -1.26 -3.89 116.55 111.61 1nvl n ASP 48 Ca -0.04 0.00 0.27 0.00 -1.51 0.00 0.00 54.79 53.51 1nvl n ASP 48 Cb 0.57 -0.09 0.53 0.00 2.34 0.00 0.00 41.12 44.47 1nvl n ASP 48 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1nvl h PHE 49 N 0.00 0.71 0.00 -0.67 -0.00 -1.97 0.51 116.94 115.51 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 -0.19 0.00 0.00 -0.00 0.00 0.00 35.95 35.76 1nvl h PHE 49 CO 0.00 -0.07 -0.84 1.17 -0.00 0.00 0.00 178.31 178.57 1nvl n LYS 50 N -4.76 0.04 -0.01 6.09 0.00 -1.26 -4.02 118.16 114.24 1nvl n LYS 50 Ca 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.58 1nvl n LYS 50 Cb 1.05 -1.51 -0.01 0.00 0.00 0.00 0.00 35.03 34.56 1nvl n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nvl n GLY 51 N 1.48 -0.22 0.15 3.14 0.00 -0.01 -4.81 105.19 104.91 1nvl n GLY 51 Ca 0.04 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.32 0.50 -0.22 1.61 6.56 -1.17 -3.16 116.57 120.37 1nvl h LYS 52 Ca 0.00 -0.73 0.05 0.00 -1.06 0.00 0.00 60.65 58.91 1nvl h LYS 52 Cb 0.32 0.25 -0.07 0.00 -0.57 0.00 0.00 32.23 32.16 1nvl h LYS 52 CO 0.00 1.33 -0.42 0.00 -2.06 0.00 0.00 179.45 178.30 1nvl h ALA 53 N 0.38 -0.52 0.00 3.86 0.00 -1.40 0.74 119.26 122.31 1nvl h ALA 53 Ca -0.18 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1nvl h ALA 53 Cb 1.95 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 20.55 1nvl h ALA 53 CO 0.23 -0.90 -0.05 1.57 0.00 0.00 0.00 179.25 180.10 1nvl h LYS 54 N -0.43 0.00 0.02 0.00 2.10 -1.73 0.39 116.57 116.92 1nvl h LYS 54 Ca 0.10 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1nvl h LYS 54 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1nvl h LYS 54 CO -0.45 0.05 -0.01 2.35 -2.00 0.00 0.00 179.45 179.39 1nvl h TRP 55 N 0.00 -0.03 -0.60 0.07 7.01 -0.15 -2.88 115.95 119.38 1nvl h TRP 55 Ca -0.00 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.05 1nvl h TRP 55 Cb 0.19 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.18 1nvl h TRP 55 CO 0.00 -0.02 -0.35 -0.25 -2.79 0.00 0.00 178.44 175.03 1nvl n ASP 56 N -2.45 -0.63 -0.35 2.65 9.92 0.21 0.11 116.55 126.01 1nvl n ASP 56 Ca -0.00 1.19 0.26 0.00 -0.53 0.00 0.00 54.79 55.71 1nvl n ASP 56 Cb 0.01 -0.20 0.51 0.00 -0.64 0.00 0.00 41.12 40.80 1nvl n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nvl h ALA 57 N 0.17 2.11 0.13 2.24 0.00 -0.33 0.21 119.26 123.79 1nvl h ALA 57 Ca 0.10 0.17 -0.34 0.00 0.00 0.00 0.00 54.91 54.84 1nvl h ALA 57 Cb 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1nvl h ALA 57 CO -0.56 -0.71 -1.75 2.35 0.00 0.00 0.00 179.25 178.58 1nvl h TRP 58 N 0.29 0.50 -0.78 0.00 7.01 0.11 -3.33 115.95 119.74 1nvl h TRP 58 Ca 0.74 -0.36 0.08 0.00 2.11 0.00 0.00 58.89 61.46 1nvl h TRP 58 Cb 1.82 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 28.79 1nvl h TRP 58 CO -0.01 1.55 0.44 -0.97 -2.79 0.00 0.00 178.44 176.66 1nvl h ASN 59 N 0.07 0.63 -0.03 2.65 -1.24 0.17 0.96 115.58 118.80 1nvl h ASN 59 Ca -0.33 0.04 0.01 0.00 0.71 0.00 0.00 56.30 56.73 1nvl h ASN 59 Cb 2.05 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 41.02 1nvl h ASN 59 CO 0.14 0.37 0.18 -0.08 -1.29 0.00 0.00 177.43 176.75 1nvl h GLU 60 N 0.76 0.00 0.00 6.67 4.81 -0.81 -0.45 114.58 125.56 1nvl h GLU 60 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1nvl h GLU 60 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1nvl h GLU 60 CO -0.23 0.00 -0.52 1.28 -0.73 0.00 0.00 179.01 178.81 1nvl n LEU 61 N -3.10 0.46 0.00 1.64 4.77 0.14 -4.85 117.00 116.07 1nvl n LEU 61 Ca -0.02 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1nvl n LEU 61 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1nvl n LEU 61 CO 0.18 0.11 0.00 1.17 -1.33 0.00 0.00 177.39 177.53 1nvl n LYS 62 N -1.26 0.00 -1.67 3.23 4.81 -0.12 -1.29 118.16 121.85 1nvl n LYS 62 Ca 0.02 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.12 1nvl n LYS 62 Cb 0.16 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.27 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 -0.87 5.91 3.99 3.14 0.00 -1.26 -2.06 105.19 114.04 1nvl n GLY 63 Ca 0.00 -2.45 -0.20 0.00 0.00 0.00 0.00 46.02 43.38 1nvl n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nvl s THR 64 N -4.90 3.65 -0.19 2.61 2.01 -0.41 -5.04 115.64 113.38 1nvl s THR 64 Ca 0.58 -0.86 -0.26 0.00 0.31 0.00 0.00 61.69 61.46 1nvl s THR 64 Cb 0.47 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1nvl s THR 64 CO -0.10 -0.14 0.90 -0.94 -0.69 0.00 0.00 174.62 173.65 1nvl s SER 65 N -4.25 7.00 0.23 3.53 1.04 -1.26 -4.86 113.70 115.13 1nvl s SER 65 Ca 0.49 1.24 -0.17 0.00 0.48 0.00 0.00 55.95 58.00 1nvl s SER 65 Cb -0.10 -2.48 0.24 0.00 0.10 0.00 0.00 66.02 63.78 1nvl s SER 65 CO 0.34 -0.48 1.56 0.11 0.98 0.00 0.00 173.24 175.75 1nvl h LYS 66 N 7.39 -0.04 -0.84 4.02 1.57 -1.85 -1.77 116.57 125.05 1nvl h LYS 66 Ca -0.26 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.70 1nvl h LYS 66 Cb 1.11 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 33.27 1nvl h LYS 66 CO 0.87 -0.02 -0.13 0.93 -0.57 0.00 0.00 179.45 180.53 1nvl h GLU 67 N -0.04 0.02 -0.06 3.15 5.08 -1.91 0.40 114.58 121.24 1nvl h GLU 67 Ca 0.34 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.51 1nvl h GLU 67 Cb 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1nvl h GLU 67 CO -0.91 0.02 -0.76 -0.44 -1.00 0.00 0.00 179.01 175.92 1nvl h ASP 68 N 0.03 0.42 -0.74 1.42 3.32 -1.74 -2.51 116.42 116.63 1nvl h ASP 68 Ca 0.43 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1nvl h ASP 68 Cb 0.73 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1nvl h ASP 68 CO -0.83 1.03 0.24 0.00 -1.72 0.00 0.00 179.24 177.97 1nvl h ALA 69 N 0.96 0.96 -0.00 3.45 0.00 -0.79 -2.36 119.26 121.47 1nvl h ALA 69 Ca -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1nvl h ALA 69 Cb 1.34 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1nvl h ALA 69 CO 0.13 0.64 -0.26 0.52 0.00 0.00 0.00 179.25 180.27 1nvl h MET 70 N 1.09 -0.38 -0.22 0.00 2.86 0.12 0.15 114.93 118.54 1nvl h MET 70 Ca 0.24 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.93 1nvl h MET 70 Cb 0.29 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1nvl h MET 70 CO -0.01 -0.26 -0.27 0.87 1.06 0.00 0.00 176.91 178.30 1nvl h LYS 71 N -0.40 -0.17 -0.43 1.72 6.56 -1.02 0.19 116.57 123.03 1nvl h LYS 71 Ca 0.06 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.75 1nvl h LYS 71 Cb 0.49 0.04 -0.09 0.00 -0.57 0.00 0.00 32.23 32.09 1nvl h LYS 71 CO -0.23 -0.11 -0.20 0.00 -2.06 0.00 0.00 179.45 176.85 1nvl h ALA 72 N -0.67 0.12 -0.17 3.86 0.00 -1.23 0.32 119.26 121.49 1nvl h ALA 72 Ca 0.04 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1nvl h ALA 72 Cb 0.28 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1nvl h ALA 72 CO -0.30 -0.56 -0.41 -0.92 0.00 0.00 0.00 179.25 177.07 1nvl h TYR 73 N -0.12 -1.16 -0.55 0.00 3.20 0.38 0.49 116.97 119.22 1nvl h TYR 73 Ca 0.21 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.15 1nvl h TYR 73 Cb 0.43 0.53 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 1nvl h TYR 73 CO -0.45 -0.46 0.34 0.82 -1.64 0.00 0.00 178.16 176.77 1nvl h ILE 74 N -0.45 1.08 0.00 1.81 2.04 0.00 0.40 117.51 122.39 1nvl h ILE 74 Ca 0.09 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1nvl h ILE 74 Cb 0.61 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1nvl h ILE 74 CO -0.42 0.12 0.00 0.44 0.00 0.00 0.00 178.15 178.29 1nvl h ASP 75 N 0.67 0.00 0.03 1.72 5.19 0.43 0.95 116.42 125.42 1nvl h ASP 75 Ca 0.21 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.39 1nvl h ASP 75 Cb -0.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 1nvl h ASP 75 CO -0.08 0.00 -1.26 0.50 -3.12 0.00 0.00 179.24 175.27 1nvl h LYS 76 N 0.00 0.07 -0.58 3.56 1.63 0.19 -3.03 116.57 118.41 1nvl h LYS 76 Ca 0.00 -0.12 0.12 0.00 -0.85 0.00 0.00 60.65 59.80 1nvl h LYS 76 Cb 0.37 0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 31.95 1nvl h LYS 76 CO 0.00 1.06 0.03 0.28 -3.45 0.00 0.00 179.45 177.36 1nvl h VAL 77 N -0.76 0.55 -0.36 2.00 2.07 0.29 0.27 116.25 120.31 1nvl h VAL 77 Ca -0.32 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.21 1nvl h VAL 77 Cb 1.44 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 1nvl h VAL 77 CO -0.11 0.03 -0.50 -0.33 0.02 0.00 0.00 177.57 176.67 1nvl h GLU 78 N 0.14 -0.39 -0.98 1.57 3.07 -0.90 0.46 114.58 117.55 1nvl h GLU 78 Ca 0.30 0.03 0.24 0.00 -0.50 0.00 0.00 59.36 59.42 1nvl h GLU 78 Cb 0.47 0.09 -0.12 0.00 -0.84 0.00 0.00 28.75 28.35 1nvl h GLU 78 CO -0.47 -0.26 0.55 0.93 -1.40 0.00 0.00 179.01 178.37 1nvl h GLU 79 N -0.40 0.54 -0.11 2.33 5.08 -0.41 0.72 114.58 122.32 1nvl h GLU 79 Ca 0.09 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1nvl h GLU 79 Cb 0.61 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1nvl h GLU 79 CO -0.56 0.36 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.53 1nvl h LEU 80 N 0.55 0.38 -0.42 1.33 3.38 0.75 0.64 115.31 121.92 1nvl h LEU 80 Ca 0.62 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1nvl h LEU 80 Cb 1.17 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1nvl h LEU 80 CO -0.48 0.85 0.20 0.50 0.09 0.00 0.00 178.44 179.60 1nvl h LYS 81 N -0.09 0.39 0.00 1.13 3.64 0.49 0.48 116.57 122.61 1nvl h LYS 81 Ca 0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1nvl h LYS 81 Cb 0.78 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1nvl h LYS 81 CO 0.05 0.26 -0.12 0.87 -2.27 0.00 0.00 179.45 178.23 1nvl h LYS 82 N 0.40 0.00 0.22 1.90 1.57 -0.75 0.16 116.57 120.07 1nvl h LYS 82 Ca 0.18 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.63 1nvl h LYS 82 Cb 0.11 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.44 1nvl h LYS 82 CO -0.14 0.12 -1.55 0.87 -0.57 0.00 0.00 179.45 178.18 1nvl h LYS 83 N 0.00 0.47 0.00 3.15 1.57 0.16 -3.40 116.57 118.52 1nvl h LYS 83 Ca -0.00 -0.81 -0.03 0.00 -1.87 0.00 0.00 60.65 57.94 1nvl h LYS 83 Cb 0.22 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1nvl h LYS 83 CO 0.02 1.39 -1.89 0.66 -0.57 0.00 0.00 179.45 179.05 1nvl n TYR 84 N -3.70 0.15 0.00 -1.35 4.01 0.14 -5.06 117.16 111.34 1nvl n TYR 84 Ca -0.20 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1nvl n TYR 84 Cb 1.07 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1nvl n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvl n GLY 85 N 1.29 1.77 0.70 2.72 0.00 0.03 -4.88 105.19 106.83 1nvl n GLY 85 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83