#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvl s GLN 2 N 0.00 0.19 0.09 1.43 0.74 -1.26 -5.04 119.66 115.80 1nvl s GLN 2 Ca 0.00 -0.40 0.05 0.00 0.05 0.00 0.00 55.36 55.05 1nvl s GLN 2 Cb 0.00 -1.20 0.31 0.00 1.10 0.00 0.00 33.01 33.22 1nvl s GLN 2 CO 0.00 -0.96 0.39 0.00 -0.55 0.00 0.00 175.29 174.17 1nvl n ALA 3 N 5.26 0.24 -0.03 1.58 0.00 -1.26 0.97 120.51 127.27 1nvl n ALA 3 Ca -0.06 0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.52 1nvl n ALA 3 Cb 0.44 -0.24 0.03 0.00 0.00 0.00 0.00 19.45 19.67 1nvl n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nvl h GLU 4 N 0.00 0.67 -0.11 0.00 4.39 -1.97 0.28 114.58 117.84 1nvl h GLU 4 Ca 0.20 -0.42 -0.23 0.00 0.34 0.00 0.00 59.36 59.26 1nvl h GLU 4 Cb 0.52 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1nvl h GLU 4 CO -0.19 1.03 -0.82 0.35 -1.16 0.00 0.00 179.01 178.22 1nvl h PHE 5 N 0.52 1.03 0.19 4.33 3.04 0.23 -0.48 116.94 125.80 1nvl h PHE 5 Ca 0.01 -0.48 -0.00 0.00 3.98 0.00 0.00 57.97 61.47 1nvl h PHE 5 Cb 1.10 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.46 1nvl h PHE 5 CO 0.05 1.32 -0.12 -0.44 -2.02 0.00 0.00 178.31 177.09 1nvl h ASP 6 N 0.45 -0.31 -0.75 0.41 5.19 -1.07 0.30 116.42 120.64 1nvl h ASP 6 Ca -0.07 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.40 1nvl h ASP 6 Cb 1.46 0.10 -0.04 0.00 0.18 0.00 0.00 39.33 41.02 1nvl h ASP 6 CO 0.17 -0.20 0.49 0.50 -3.12 0.00 0.00 179.24 177.08 1nvl h LYS 7 N -0.31 0.85 0.39 3.56 3.64 -0.41 -0.69 116.57 123.60 1nvl h LYS 7 Ca -0.02 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1nvl h LYS 7 Cb 0.26 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1nvl h LYS 7 CO 0.01 0.56 -0.19 0.00 -2.27 0.00 0.00 179.45 177.57 1nvl h ALA 8 N 1.57 -0.52 -0.85 5.00 0.00 0.10 0.29 119.26 124.85 1nvl h ALA 8 Ca 0.31 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.27 1nvl h ALA 8 Cb 0.11 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 17.98 1nvl h ALA 8 CO -0.09 -0.72 0.30 0.00 0.00 0.00 0.00 179.25 178.74 1nvl h ALA 9 N -0.12 1.27 0.62 0.00 0.00 0.93 0.30 119.26 122.26 1nvl h ALA 9 Ca -0.05 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1nvl h ALA 9 Cb 0.48 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1nvl h ALA 9 CO 0.09 -0.36 -0.30 0.93 0.00 0.00 0.00 179.25 179.61 1nvl h GLU 10 N 0.33 -0.80 -0.99 0.00 4.39 -0.72 0.17 114.58 116.96 1nvl h GLU 10 Ca 0.52 0.05 0.21 0.00 0.34 0.00 0.00 59.36 60.49 1nvl h GLU 10 Cb 0.97 0.18 -0.19 0.00 -0.10 0.00 0.00 28.75 29.62 1nvl h GLU 10 CO -0.55 -0.53 -0.18 0.93 -1.16 0.00 0.00 179.01 177.51 1nvl h GLU 11 N -0.94 0.00 0.15 2.33 5.08 0.82 0.35 114.58 122.37 1nvl h GLU 11 Ca -0.08 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1nvl h GLU 11 Cb 0.64 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1nvl h GLU 11 CO 0.14 0.00 -0.07 -0.24 -1.00 0.00 0.00 179.01 177.84 1nvl h VAL 12 N 0.00 0.98 0.00 3.13 3.04 -0.36 -1.39 116.25 121.65 1nvl h VAL 12 Ca 0.50 -1.06 -0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1nvl h VAL 12 Cb 0.84 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 1nvl h VAL 12 CO -0.99 0.23 -0.01 0.11 -1.01 0.00 0.00 177.57 175.89 1nvl h LYS 13 N -0.75 0.00 0.00 4.17 1.57 0.36 0.23 116.57 122.14 1nvl h LYS 13 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1nvl h LYS 13 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1nvl h LYS 13 CO 0.03 0.01 0.00 0.72 -0.57 0.00 0.00 179.45 179.64 1nvl n HIS 14 N -3.56 0.13 -1.56 -1.35 8.25 0.11 -4.87 115.22 112.37 1nvl n HIS 14 Ca -0.03 0.04 -0.48 0.00 -0.26 0.00 0.00 57.72 56.99 1nvl n HIS 14 Cb 0.10 -0.56 -0.04 0.00 1.12 0.00 0.00 29.99 30.61 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 -1.61 1.28 0.11 2.41 4.77 0.79 -4.75 117.00 120.00 1nvl n LEU 15 Ca 0.07 1.15 0.08 0.00 -0.03 0.00 0.00 56.01 57.27 1nvl n LEU 15 Cb 0.35 -1.19 0.41 0.00 -2.33 0.00 0.00 43.42 40.66 1nvl n LEU 15 CO 0.27 -1.48 0.73 0.29 -1.33 0.00 0.00 177.39 175.87 1nvl n LYS 16 N 1.50 0.10 -4.07 3.23 5.02 -1.26 -4.65 118.16 118.02 1nvl n LYS 16 Ca 0.15 0.59 -0.07 0.00 -2.02 0.00 0.00 58.31 56.95 1nvl n LYS 16 Cb 0.25 -1.82 -0.10 0.00 -0.02 0.00 0.00 35.03 33.34 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1nvl s THR 17 N -3.38 0.21 -0.48 -0.18 2.01 -1.26 -5.11 115.64 107.46 1nvl s THR 17 Ca -0.01 -1.67 -0.21 0.00 0.31 0.00 0.00 61.69 60.12 1nvl s THR 17 Cb 0.05 -1.32 0.04 0.00 0.01 0.00 0.00 72.50 71.27 1nvl s THR 17 CO 0.15 -0.92 0.67 -0.75 -0.69 0.00 0.00 174.62 173.08 1nvl s LYS 18 N -3.52 3.23 1.06 4.92 2.36 -1.26 -5.04 119.74 121.48 1nvl s LYS 18 Ca 0.03 -0.55 -0.18 0.00 -2.55 0.00 0.00 55.97 52.73 1nvl s LYS 18 Cb 0.05 -4.01 0.27 0.00 -1.05 0.00 0.00 37.83 33.09 1nvl s LYS 18 CO -0.08 -1.14 0.68 -2.30 1.55 0.00 0.00 175.35 174.06 1nvl n PRO 19 N 6.36 -3.84 -1.89 4.03 -0.02 -1.26 -5.01 135.00 133.37 1nvl n PRO 19 Ca -0.03 -1.13 -0.31 0.00 -2.02 0.00 0.00 63.50 60.01 1nvl n PRO 19 Cb 0.47 -1.37 0.02 0.00 -0.02 0.00 0.00 33.50 32.60 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 -2.28 2.89 0.14 3.55 0.00 -1.26 -4.73 121.76 120.07 1nvl s ALA 20 Ca 0.50 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 1nvl s ALA 20 Cb -0.08 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1nvl s ALA 20 CO 0.41 -0.81 1.49 -0.44 0.00 0.00 0.00 175.76 176.42 1nvl h ASP 21 N -0.10 -1.94 -0.75 0.00 5.19 -1.97 -0.05 116.42 116.79 1nvl h ASP 21 Ca -0.45 0.29 0.12 0.00 -0.62 0.00 0.00 57.03 56.37 1nvl h ASP 21 Cb 1.20 0.85 -0.13 0.00 0.18 0.00 0.00 39.33 41.43 1nvl h ASP 21 CO 0.59 -0.23 -0.39 -0.33 -3.12 0.00 0.00 179.24 175.76 1nvl h GLU 22 N -0.05 -0.11 -0.48 3.56 4.39 -1.98 0.80 114.58 120.72 1nvl h GLU 22 Ca 0.13 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1nvl h GLU 22 Cb 0.40 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1nvl h GLU 22 CO -0.81 -0.07 0.17 0.93 -1.16 0.00 0.00 179.01 178.07 1nvl h GLU 23 N -0.11 0.73 -0.60 2.33 4.39 -1.73 0.16 114.58 119.74 1nvl h GLU 23 Ca 0.26 -0.14 0.11 0.00 0.34 0.00 0.00 59.36 59.92 1nvl h GLU 23 Cb 0.56 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 1nvl h GLU 23 CO -0.80 0.67 0.17 0.52 -1.16 0.00 0.00 179.01 178.41 1nvl h MET 24 N 0.63 0.31 0.35 2.33 2.86 0.12 0.94 114.93 122.48 1nvl h MET 24 Ca 0.16 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1nvl h MET 24 Cb 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1nvl h MET 24 CO -0.01 0.21 -0.38 -0.07 1.06 0.00 0.00 176.91 177.71 1nvl h LEU 25 N 0.32 -1.05 -0.31 1.22 3.38 0.10 0.45 115.31 119.42 1nvl h LEU 25 Ca 0.31 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1nvl h LEU 25 Cb 0.44 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1nvl h LEU 25 CO -0.36 -0.52 0.00 0.33 0.09 0.00 0.00 178.44 177.98 1nvl n PHE 26 N -5.48 0.33 -0.08 1.13 -0.00 0.51 -0.70 117.46 113.17 1nvl n PHE 26 Ca -0.10 0.13 -0.09 0.00 -0.00 0.00 0.00 57.45 57.40 1nvl n PHE 26 Cb 0.38 -0.72 -0.05 0.00 -0.00 0.00 0.00 39.48 39.10 1nvl n PHE 26 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1nvl h ILE 27 N 0.00 0.37 0.04 -2.13 2.04 0.25 -3.27 117.51 114.81 1nvl h ILE 27 Ca 0.00 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.47 1nvl h ILE 27 Cb 0.27 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1nvl h ILE 27 CO 0.00 0.12 -0.40 0.22 0.00 0.00 0.00 178.15 178.10 1nvl h TYR 28 N -1.00 -1.16 -0.44 1.37 3.20 0.02 0.27 116.97 119.23 1nvl h TYR 28 Ca -0.09 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.85 1nvl h TYR 28 Cb 0.67 0.50 -0.05 0.00 1.54 0.00 0.00 36.73 39.39 1nvl h TYR 28 CO -0.06 -0.44 -0.26 -1.13 -1.64 0.00 0.00 178.16 174.63 1nvl n SER 29 N -4.69 -0.47 0.27 -2.11 3.41 0.12 -0.48 113.62 109.67 1nvl n SER 29 Ca -0.06 1.30 -0.16 0.00 -0.26 0.00 0.00 58.87 59.69 1nvl n SER 29 Cb 0.30 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 1nvl n SER 29 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1nvl h HIS 30 N 0.00 -0.91 -0.87 7.33 3.86 -1.57 0.18 115.15 123.17 1nvl h HIS 30 Ca 0.07 -0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.51 1nvl h HIS 30 Cb 0.18 0.34 -0.14 0.00 1.06 0.00 0.00 27.41 28.85 1nvl h HIS 30 CO -0.93 -0.50 0.22 -0.92 0.86 0.00 0.00 177.93 176.66 1nvl h TYR 31 N -0.78 0.33 0.33 2.45 3.20 0.22 0.31 116.97 123.03 1nvl h TYR 31 Ca -0.04 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1nvl h TYR 31 Cb 0.67 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1nvl h TYR 31 CO -0.15 -0.20 -0.16 0.87 -1.64 0.00 0.00 178.16 176.88 1nvl h LYS 32 N 0.21 -0.43 -0.74 1.82 1.79 -0.31 0.02 116.57 118.93 1nvl h LYS 32 Ca 0.54 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 59.15 1nvl h LYS 32 Cb 1.07 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 1nvl h LYS 32 CO -0.65 -0.11 0.49 1.96 -1.08 0.00 0.00 179.45 180.06 1nvl h GLN 33 N -0.78 0.53 0.11 3.15 1.08 0.63 0.77 115.11 120.60 1nvl h GLN 33 Ca -0.05 -0.03 -0.27 0.00 -1.45 0.00 0.00 58.65 56.85 1nvl h GLN 33 Cb 0.51 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1nvl h GLN 33 CO 0.07 0.35 -1.20 0.00 -0.95 0.00 0.00 178.83 177.10 1nvl h ALA 34 N 1.64 0.12 0.00 3.87 0.00 -0.42 -3.11 119.26 121.35 1nvl h ALA 34 Ca 0.35 -0.83 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 1nvl h ALA 34 Cb 0.62 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1nvl h ALA 34 CO -0.12 0.87 -2.26 0.25 0.00 0.00 0.00 179.25 177.99 1nvl n THR 35 N -3.63 1.26 -0.08 0.00 -2.24 -0.01 -4.77 114.28 104.81 1nvl n THR 35 Ca -0.10 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.13 1nvl n THR 35 Cb 0.99 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 67.82 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 -3.28 1.46 0.00 2.28 0.31 0.24 -5.00 118.33 114.34 1nvl n VAL 36 Ca -0.40 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1nvl n VAL 36 Cb 0.90 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 1.53 0.89 3.70 2.92 0.00 0.32 -4.96 105.19 109.59 1nvl n GLY 37 Ca -0.15 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 1nvl n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nvl n ASP 38 N 0.00 3.77 -4.70 1.61 9.92 -0.62 -3.94 116.55 122.59 1nvl n ASP 38 Ca 0.00 1.06 -0.43 0.00 -0.53 0.00 0.00 54.79 54.89 1nvl n ASP 38 Cb 0.00 -1.53 -0.02 0.00 -0.64 0.00 0.00 41.12 38.93 1nvl n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nvl n ILE 39 N 3.92 1.24 -1.43 0.53 3.06 -1.26 -4.87 119.36 120.55 1nvl n ILE 39 Ca 0.17 -0.31 0.02 0.00 -2.50 0.00 0.00 62.75 60.13 1nvl n ILE 39 Cb 0.33 -1.65 0.03 0.00 0.54 0.00 0.00 39.64 38.90 1nvl n ILE 39 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 1nvl n ASN 40 N 1.79 0.75 -4.78 9.51 5.15 -1.26 -5.06 115.26 121.37 1nvl n ASN 40 Ca 0.09 -2.09 -0.22 0.00 -0.60 0.00 0.00 54.58 51.75 1nvl n ASN 40 Cb 0.34 -0.20 -0.05 0.00 -0.53 0.00 0.00 39.78 39.34 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1nvl s THR 41 N -0.79 4.20 0.23 -0.44 -4.23 -1.26 -5.11 115.64 108.23 1nvl s THR 41 Ca 0.08 -1.52 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1nvl s THR 41 Cb 0.07 -3.26 -0.07 0.00 1.34 0.00 0.00 72.50 70.58 1nvl s THR 41 CO 0.01 -0.35 0.57 -1.61 -0.54 0.00 0.00 174.62 172.70 1nvl s GLU 42 N -3.77 3.85 -0.47 3.99 2.02 -1.26 -4.97 118.70 118.09 1nvl s GLU 42 Ca 0.32 0.35 -0.35 0.00 0.02 0.00 0.00 54.97 55.31 1nvl s GLU 42 Cb -0.08 -2.67 -0.13 0.00 0.10 0.00 0.00 34.13 31.35 1nvl s GLU 42 CO 0.24 0.32 2.27 -2.13 0.02 0.00 0.00 175.26 175.98 1nvl n ARG 43 N -0.02 0.76 -1.05 1.61 0.63 -1.26 -4.91 116.66 112.42 1nvl n ARG 43 Ca -0.00 0.18 -0.37 0.00 -0.92 0.00 0.00 57.85 56.74 1nvl n ARG 43 Cb 0.52 -2.28 0.04 0.00 0.45 0.00 0.00 32.46 31.19 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 8.21 -0.00 0.00 -0.14 -0.02 -1.26 -5.05 135.00 136.73 1nvl n PRO 44 Ca 0.46 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1nvl n PRO 44 Cb 0.19 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 3.20 1.84 2.47 -1.23 0.00 -1.26 -4.83 105.19 105.38 1nvl n GLY 45 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 0.00 0.00 1.61 0.00 -1.26 -2.74 117.12 114.73 1nvl n MET 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1nvl n MET 46 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 33.22 32.72 1nvl n MET 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1nvl n LEU 47 N 1.50 0.00 0.00 3.17 4.77 -1.26 -5.09 117.00 120.09 1nvl n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nvl n LEU 47 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nvl n LEU 47 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 1nvl n ASP 48 N -1.28 0.00 0.00 -1.43 2.03 -1.11 -4.82 116.55 109.95 1nvl n ASP 48 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1nvl n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1nvl n ASP 48 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1nvl n PHE 49 N 0.00 0.00 -0.27 -0.67 -1.74 -1.26 -0.96 117.46 112.56 1nvl n PHE 49 Ca 0.00 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.02 1nvl n PHE 49 Cb 0.00 0.00 0.25 0.00 1.52 0.00 0.00 39.48 41.25 1nvl n PHE 49 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1nvl n LYS 50 N 0.00 -0.06 -0.03 3.97 5.02 -1.26 -0.80 118.16 124.99 1nvl n LYS 50 Ca 0.00 1.18 -0.07 0.00 -2.02 0.00 0.00 58.31 57.40 1nvl n LYS 50 Cb 0.00 -1.89 -0.05 0.00 -0.02 0.00 0.00 35.03 33.06 1nvl n LYS 50 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1nvl h GLY 51 N 0.00 -1.39 1.67 0.72 0.00 -1.91 0.13 103.07 102.29 1nvl h GLY 51 Ca 0.50 0.72 -0.22 0.00 0.00 0.00 0.00 47.33 48.32 1nvl h GLY 51 CO -0.74 -0.41 -0.98 0.50 0.00 0.00 0.00 176.54 174.91 1nvl h LYS 52 N -0.26 0.28 -0.17 4.80 1.57 -0.22 -2.73 116.57 119.85 1nvl h LYS 52 Ca 0.02 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1nvl h LYS 52 Cb 0.33 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1nvl h LYS 52 CO -0.25 1.07 0.06 0.00 -0.57 0.00 0.00 179.45 179.76 1nvl h ALA 53 N 0.81 0.22 0.00 3.86 0.00 -0.88 0.51 119.26 123.78 1nvl h ALA 53 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nvl h ALA 53 Cb 1.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1nvl h ALA 53 CO 0.16 -0.18 0.00 1.57 0.00 0.00 0.00 179.25 180.80 1nvl h LYS 54 N 0.11 0.00 0.04 0.00 2.10 -0.82 0.39 116.57 118.39 1nvl h LYS 54 Ca 0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1nvl h LYS 54 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1nvl h LYS 54 CO -0.00 0.00 -0.02 2.35 -2.00 0.00 0.00 179.45 179.78 1nvl h TRP 55 N 0.00 -0.05 -0.89 0.07 7.01 -0.84 -3.15 115.95 118.11 1nvl h TRP 55 Ca 0.00 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.09 1nvl h TRP 55 Cb 0.47 0.02 -0.11 0.00 -2.10 0.00 0.00 29.16 27.43 1nvl h TRP 55 CO 0.00 -0.03 -0.50 -0.25 -2.79 0.00 0.00 178.44 174.88 1nvl n ASP 56 N -3.00 -0.88 -0.29 2.65 9.92 0.16 0.55 116.55 125.67 1nvl n ASP 56 Ca -0.01 1.57 0.34 0.00 -0.53 0.00 0.00 54.79 56.17 1nvl n ASP 56 Cb 0.02 -0.23 0.72 0.00 -0.64 0.00 0.00 41.12 40.99 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 0.57 3.03 0.02 2.24 0.00 -0.34 0.24 119.26 125.02 1nvl h ALA 57 Ca 0.17 -0.04 -0.39 0.00 0.00 0.00 0.00 54.91 54.64 1nvl h ALA 57 Cb 0.39 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1nvl h ALA 57 CO -0.84 -1.49 -2.32 1.87 0.00 0.00 0.00 179.25 176.47 1nvl n TRP 58 N -3.95 0.29 -0.35 0.00 -0.00 0.19 -4.28 117.44 109.34 1nvl n TRP 58 Ca 0.25 0.08 0.06 0.00 -0.00 0.00 0.00 57.50 57.88 1nvl n TRP 58 Cb 1.27 -1.04 0.23 0.00 -0.00 0.00 0.00 31.31 31.78 1nvl n TRP 58 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1nvl h ASN 59 N -0.36 0.94 0.00 5.87 -1.24 0.15 0.26 115.58 121.20 1nvl h ASN 59 Ca -0.57 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.47 1nvl h ASN 59 Cb 1.79 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.67 1nvl h ASN 59 CO -0.17 0.55 0.00 -0.62 -1.29 0.00 0.00 177.43 175.90 1nvl n GLU 60 N -4.55 0.09 0.00 6.67 -0.58 0.65 -1.03 120.64 121.88 1nvl n GLU 60 Ca 0.17 0.59 0.02 0.00 -0.42 0.00 0.00 57.16 57.52 1nvl n GLU 60 Cb 0.28 -1.80 -0.01 0.00 -0.57 0.00 0.00 31.44 29.34 1nvl n GLU 60 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nvl n LEU 61 N -2.00 0.45 0.00 -4.62 4.77 -0.07 -4.90 117.00 110.63 1nvl n LEU 61 Ca -0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1nvl n LEU 61 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1nvl n LEU 61 CO 0.06 0.10 0.00 1.17 -1.33 0.00 0.00 177.39 177.40 1nvl n LYS 62 N -0.75 0.00 -1.98 3.23 4.81 -0.20 -1.35 118.16 121.91 1nvl n LYS 62 Ca 0.01 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.07 1nvl n LYS 62 Cb 0.06 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.13 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 -0.81 5.42 3.94 3.14 0.00 -1.26 -1.59 105.19 114.03 1nvl n GLY 63 Ca 0.00 -2.38 -0.25 0.00 0.00 0.00 0.00 46.02 43.40 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 -4.28 5.21 -0.23 2.61 2.01 -0.46 -5.04 115.64 115.45 1nvl s THR 64 Ca 0.51 -0.59 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 1nvl s THR 64 Cb 0.37 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1nvl s THR 64 CO -0.32 -0.30 0.89 -0.44 -0.69 0.00 0.00 174.62 173.76 1nvl s SER 65 N -3.60 6.92 0.16 3.53 0.01 -1.26 -4.83 113.70 114.62 1nvl s SER 65 Ca 0.37 1.14 -0.11 0.00 1.31 0.00 0.00 55.95 58.66 1nvl s SER 65 Cb -0.10 -2.47 0.17 0.00 0.21 0.00 0.00 66.02 63.83 1nvl s SER 65 CO 0.31 -0.55 1.04 0.29 0.41 0.00 0.00 173.24 174.73 1nvl n LYS 66 N 6.05 -0.15 -0.34 12.44 5.02 -1.26 -1.03 118.16 138.89 1nvl n LYS 66 Ca 0.07 1.03 0.04 0.00 -2.02 0.00 0.00 58.31 57.43 1nvl n LYS 66 Cb 0.47 -1.53 0.11 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.01 0.00 1.97 5.08 -1.88 0.38 114.58 120.12 1nvl h GLU 67 Ca 0.24 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1nvl h GLU 67 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1nvl h GLU 67 CO -0.67 -0.00 -0.57 0.22 -1.00 0.00 0.00 179.01 177.00 1nvl h ASP 68 N -0.01 0.00 -0.47 1.42 3.58 -1.48 0.03 116.42 119.49 1nvl h ASP 68 Ca 0.43 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.78 1nvl h ASP 68 Cb 0.67 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 1nvl h ASP 68 CO -0.97 0.57 -0.09 0.00 -2.88 0.00 0.00 179.24 175.87 1nvl h ALA 69 N 1.43 0.64 0.23 -0.78 0.00 -0.73 -0.19 119.26 119.87 1nvl h ALA 69 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nvl h ALA 69 Cb 1.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1nvl h ALA 69 CO 0.07 0.52 -0.24 0.52 0.00 0.00 0.00 179.25 180.13 1nvl h MET 70 N 0.74 -0.49 0.00 0.00 2.86 0.64 1.04 114.93 119.72 1nvl h MET 70 Ca 0.12 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1nvl h MET 70 Cb 0.63 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1nvl h MET 70 CO 0.04 -0.32 0.00 1.63 1.06 0.00 0.00 176.91 179.32 1nvl n LYS 71 N -5.36 0.00 0.19 1.72 5.02 -0.10 0.03 118.16 119.66 1nvl n LYS 71 Ca -0.08 0.75 0.11 0.00 -2.02 0.00 0.00 58.31 57.06 1nvl n LYS 71 Cb 0.27 -1.37 0.56 0.00 -0.02 0.00 0.00 35.03 34.47 1nvl n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nvl h ALA 72 N -1.44 1.10 0.07 7.82 0.00 -0.91 0.29 119.26 126.21 1nvl h ALA 72 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nvl h ALA 72 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nvl h ALA 72 CO 0.00 -0.10 -0.03 -0.92 0.00 0.00 0.00 179.25 178.20 1nvl h TYR 73 N 0.00 -0.09 -0.78 0.00 3.20 0.50 -2.93 116.97 116.87 1nvl h TYR 73 Ca 0.00 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.06 1nvl h TYR 73 Cb 0.28 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1nvl h TYR 73 CO 0.00 -0.06 0.54 0.82 -1.64 0.00 0.00 178.16 177.82 1nvl h ILE 74 N -0.84 0.68 0.00 1.81 2.04 0.36 0.19 117.51 121.76 1nvl h ILE 74 Ca -0.01 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1nvl h ILE 74 Cb 0.07 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1nvl h ILE 74 CO 0.02 0.04 -0.40 0.44 0.00 0.00 0.00 178.15 178.24 1nvl h ASP 75 N 0.20 0.00 0.00 1.72 3.32 -1.04 0.30 116.42 120.92 1nvl h ASP 75 Ca 0.39 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.44 1nvl h ASP 75 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1nvl h ASP 75 CO -0.08 0.40 -0.00 0.07 -1.72 0.00 0.00 179.24 177.92 1nvl h LYS 76 N 0.00 -0.00 -0.16 3.56 2.10 -0.50 0.17 116.57 121.75 1nvl h LYS 76 Ca -0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.69 1nvl h LYS 76 Cb 0.71 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.99 1nvl h LYS 76 CO 0.05 0.95 -0.16 0.28 -2.00 0.00 0.00 179.45 178.58 1nvl h VAL 77 N -0.98 0.58 -0.18 0.07 2.07 -0.97 0.32 116.25 117.15 1nvl h VAL 77 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1nvl h VAL 77 Cb 0.96 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1nvl h VAL 77 CO 0.00 0.00 -0.22 -0.33 0.02 0.00 0.00 177.57 177.04 1nvl h GLU 78 N -0.18 -0.14 -0.75 1.57 4.39 -0.32 0.43 114.58 119.57 1nvl h GLU 78 Ca 0.10 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.99 1nvl h GLU 78 Cb 0.33 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 28.89 1nvl h GLU 78 CO -0.27 -0.09 0.03 0.93 -1.16 0.00 0.00 179.01 178.45 1nvl h GLU 79 N -0.14 0.11 -0.21 2.33 4.39 -0.38 -0.82 114.58 119.86 1nvl h GLU 79 Ca 0.03 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 1nvl h GLU 79 Cb 0.23 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1nvl h GLU 79 CO -0.25 0.08 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.39 1nvl h LEU 80 N 0.12 0.56 -0.58 1.33 3.38 0.20 0.32 115.31 120.64 1nvl h LEU 80 Ca 0.42 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1nvl h LEU 80 Cb 0.73 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1nvl h LEU 80 CO -0.65 0.93 0.26 0.50 0.09 0.00 0.00 178.44 179.57 1nvl h LYS 81 N 0.20 0.47 -0.15 1.13 3.64 0.59 0.43 116.57 122.89 1nvl h LYS 81 Ca 0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1nvl h LYS 81 Cb 0.77 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1nvl h LYS 81 CO 0.05 0.31 -0.01 0.87 -2.27 0.00 0.00 179.45 178.41 1nvl h LYS 82 N 0.49 0.27 -0.22 1.90 1.57 -0.99 0.19 116.57 119.78 1nvl h LYS 82 Ca 0.27 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1nvl h LYS 82 Cb 0.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1nvl h LYS 82 CO -0.23 0.52 0.09 0.87 -0.57 0.00 0.00 179.45 180.13 1nvl h LYS 83 N -0.01 0.32 0.00 3.15 1.57 0.17 -3.34 116.57 118.43 1nvl h LYS 83 Ca 0.04 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 1nvl h LYS 83 Cb 0.40 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1nvl h LYS 83 CO 0.01 0.37 -1.57 0.66 -0.57 0.00 0.00 179.45 178.34 1nvl n TYR 84 N -4.82 0.81 0.00 -1.35 4.01 0.15 -5.06 117.16 110.89 1nvl n TYR 84 Ca -0.03 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 1nvl n TYR 84 Cb 0.12 -1.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.11 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 1.43 1.87 0.43 2.72 0.00 0.66 -4.93 105.19 107.37 1nvl n GLY 85 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83