#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 2.45 0.25 1.43 -2.07 -1.26 -4.99 119.66 115.46 1nvl s GLN 2 Ca 0.00 -1.32 0.21 0.00 -1.82 0.00 0.00 55.36 52.44 1nvl s GLN 2 Cb 0.00 -3.36 0.74 0.00 -1.09 0.00 0.00 33.01 29.30 1nvl s GLN 2 CO 0.00 -0.71 0.68 0.00 -1.32 0.00 0.00 175.29 173.94 1nvl n ALA 3 N 4.70 0.81 0.12 2.60 0.00 -1.26 -0.07 120.51 127.41 1nvl n ALA 3 Ca -0.11 0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.59 1nvl n ALA 3 Cb 0.43 -0.48 0.09 0.00 0.00 0.00 0.00 19.45 19.49 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 0.00 0.07 0.00 4.39 -1.98 0.71 114.58 117.78 1nvl h GLU 4 Ca 0.40 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1nvl h GLU 4 Cb 1.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1nvl h GLU 4 CO -0.00 0.69 -0.03 0.35 -1.16 0.00 0.00 179.01 178.85 1nvl h PHE 5 N 0.00 -0.09 -0.41 4.33 3.57 -0.84 -2.76 116.94 120.73 1nvl h PHE 5 Ca -0.01 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1nvl h PHE 5 Cb 1.30 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.98 1nvl h PHE 5 CO 0.00 0.12 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.46 1nvl h ASP 6 N -1.01 -1.02 -0.92 0.41 3.32 -1.60 0.70 116.42 116.30 1nvl h ASP 6 Ca -0.01 0.19 0.26 0.00 0.02 0.00 0.00 57.03 57.49 1nvl h ASP 6 Cb 0.25 0.49 -0.16 0.00 0.22 0.00 0.00 39.33 40.13 1nvl h ASP 6 CO 0.02 -0.31 0.20 0.50 -1.72 0.00 0.00 179.24 177.93 1nvl h LYS 7 N -0.23 0.12 -0.93 3.56 3.64 -0.92 0.41 116.57 122.22 1nvl h LYS 7 Ca 0.18 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1nvl h LYS 7 Cb 0.52 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 1nvl h LYS 7 CO -0.54 0.08 0.60 0.00 -2.27 0.00 0.00 179.45 177.32 1nvl h ALA 8 N 1.87 1.47 -0.18 5.00 0.00 -0.55 -2.35 119.26 124.52 1nvl h ALA 8 Ca 0.60 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.53 1nvl h ALA 8 Cb 1.26 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1nvl h ALA 8 CO -0.75 0.40 -0.22 0.00 0.00 0.00 0.00 179.25 178.68 1nvl h ALA 9 N 1.49 -0.14 -0.43 0.00 0.00 0.02 0.11 119.26 120.31 1nvl h ALA 9 Ca 0.39 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.41 1nvl h ALA 9 Cb 0.15 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1nvl h ALA 9 CO -0.14 -0.66 -0.53 0.93 0.00 0.00 0.00 179.25 178.85 1nvl h GLU 10 N -0.25 -0.33 -0.41 0.00 3.07 -1.44 -0.61 114.58 114.60 1nvl h GLU 10 Ca 0.12 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.08 1nvl h GLU 10 Cb 0.43 0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.32 1nvl h GLU 10 CO -0.33 -0.22 -0.23 0.93 -1.40 0.00 0.00 179.01 177.77 1nvl h GLU 11 N -0.35 -0.15 -0.16 2.33 5.08 -1.32 0.17 114.58 120.18 1nvl h GLU 11 Ca 0.07 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1nvl h GLU 11 Cb 0.55 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1nvl h GLU 11 CO -0.59 -0.10 0.09 -0.24 -1.00 0.00 0.00 179.01 177.18 1nvl h VAL 12 N -0.15 1.02 0.00 3.13 3.04 -0.41 0.31 116.25 123.19 1nvl h VAL 12 Ca 0.20 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 1nvl h VAL 12 Cb 0.46 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1nvl h VAL 12 CO -0.50 0.04 0.00 0.11 -1.01 0.00 0.00 177.57 176.20 1nvl h LYS 13 N 0.19 0.00 0.00 4.17 1.79 -0.09 0.49 116.57 123.13 1nvl h LYS 13 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1nvl h LYS 13 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1nvl h LYS 13 CO -0.03 0.00 -0.98 0.72 -1.08 0.00 0.00 179.45 178.07 1nvl n HIS 14 N -2.38 0.34 -1.66 -1.35 8.25 0.88 -4.91 115.22 114.38 1nvl n HIS 14 Ca -0.01 0.10 -0.58 0.00 -0.26 0.00 0.00 57.72 56.97 1nvl n HIS 14 Cb 0.09 -0.50 -0.08 0.00 1.12 0.00 0.00 29.99 30.62 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 -2.03 2.14 0.00 2.41 4.77 0.16 -4.76 117.00 119.70 1nvl n LEU 15 Ca 0.02 1.00 0.02 0.00 -0.03 0.00 0.00 56.01 57.02 1nvl n LEU 15 Cb 0.45 -1.11 0.13 0.00 -2.33 0.00 0.00 43.42 40.56 1nvl n LEU 15 CO 0.40 -0.52 0.32 0.29 -1.33 0.00 0.00 177.39 176.54 1nvl n LYS 16 N 5.66 0.32 -3.77 3.23 4.01 -1.26 -4.59 118.16 121.77 1nvl n LYS 16 Ca 0.30 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.98 1nvl n LYS 16 Cb 0.11 -1.21 -0.08 0.00 -0.51 0.00 0.00 35.03 33.34 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1nvl s THR 17 N -2.00 0.07 -0.33 -0.18 2.01 -1.26 -5.12 115.64 108.84 1nvl s THR 17 Ca 0.07 -0.59 -0.17 0.00 0.31 0.00 0.00 61.69 61.31 1nvl s THR 17 Cb 0.03 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 1nvl s THR 17 CO 0.05 -0.32 0.44 -1.59 -0.69 0.00 0.00 174.62 172.50 1nvl s LYS 18 N -1.90 3.71 1.17 4.92 0.00 -1.26 -5.05 119.74 121.33 1nvl s LYS 18 Ca -0.10 -0.17 -0.16 0.00 0.00 0.00 0.00 55.97 55.54 1nvl s LYS 18 Cb -0.03 -3.77 0.21 0.00 0.00 0.00 0.00 37.83 34.24 1nvl s LYS 18 CO 0.01 -0.51 0.51 -2.30 0.00 0.00 0.00 175.35 173.05 1nvl n PRO 19 N 5.53 -2.25 -1.55 1.78 -0.02 -1.26 -4.82 135.00 132.41 1nvl n PRO 19 Ca -0.07 -0.64 -0.51 0.00 -2.02 0.00 0.00 63.50 60.26 1nvl n PRO 19 Cb 0.49 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 1nvl n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvl n ALA 20 N -4.79 -1.46 -0.32 3.55 0.00 -1.26 -4.49 120.51 111.74 1nvl n ALA 20 Ca 0.02 0.50 0.08 0.00 0.00 0.00 0.00 53.44 54.03 1nvl n ALA 20 Cb 0.58 -1.96 0.18 0.00 0.00 0.00 0.00 19.45 18.25 1nvl n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nvl h ASP 21 N 3.39 -0.63 -0.34 0.00 5.19 -1.99 0.58 116.42 122.62 1nvl h ASP 21 Ca -0.44 0.26 0.10 0.00 -0.62 0.00 0.00 57.03 56.32 1nvl h ASP 21 Cb 1.36 0.50 -0.01 0.00 0.18 0.00 0.00 39.33 41.36 1nvl h ASP 21 CO 0.70 -0.29 0.32 -0.33 -3.12 0.00 0.00 179.24 176.52 1nvl h GLU 22 N 0.02 0.00 0.00 3.56 3.07 -1.98 0.50 114.58 119.76 1nvl h GLU 22 Ca 0.48 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.27 1nvl h GLU 22 Cb 0.84 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 1nvl h GLU 22 CO -0.88 0.00 -0.35 0.93 -1.40 0.00 0.00 179.01 177.31 1nvl h GLU 23 N 0.00 0.00 -0.56 2.33 5.08 -0.23 -2.37 114.58 118.83 1nvl h GLU 23 Ca 0.16 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.62 1nvl h GLU 23 Cb 0.79 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.93 1nvl h GLU 23 CO -0.00 1.00 -0.27 0.52 -1.00 0.00 0.00 179.01 179.26 1nvl h MET 24 N -1.00 -0.12 -0.39 2.33 2.86 0.13 0.30 114.93 119.04 1nvl h MET 24 Ca -0.10 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 1nvl h MET 24 Cb 1.09 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.68 1nvl h MET 24 CO -0.06 -0.08 -0.37 -0.07 1.06 0.00 0.00 176.91 177.39 1nvl h LEU 25 N -0.13 -1.23 -0.24 1.22 3.38 -0.11 0.41 115.31 118.61 1nvl h LEU 25 Ca 0.24 0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.47 1nvl h LEU 25 Cb 0.52 0.56 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1nvl h LEU 25 CO -0.63 -0.35 -0.44 0.15 0.09 0.00 0.00 178.44 177.26 1nvl h PHE 26 N -0.29 -1.28 0.05 1.13 3.04 -0.43 -2.58 116.94 116.58 1nvl h PHE 26 Ca 0.16 0.06 0.02 0.00 3.98 0.00 0.00 57.97 62.19 1nvl h PHE 26 Cb 0.56 0.59 -0.03 0.00 2.56 0.00 0.00 35.95 39.63 1nvl h PHE 26 CO -0.57 -0.47 -0.20 0.82 -2.02 0.00 0.00 178.31 175.87 1nvl h ILE 27 N -0.44 0.53 -0.15 1.41 1.08 -0.17 0.35 117.51 120.12 1nvl h ILE 27 Ca 0.09 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.59 1nvl h ILE 27 Cb 0.61 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.84 1nvl h ILE 27 CO -0.48 0.00 -0.48 0.22 -0.69 0.00 0.00 178.15 176.73 1nvl h TYR 28 N -0.35 -1.43 0.63 1.37 3.20 0.15 0.34 116.97 120.88 1nvl h TYR 28 Ca 0.04 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1nvl h TYR 28 Cb 0.40 0.64 0.01 0.00 1.54 0.00 0.00 36.73 39.32 1nvl h TYR 28 CO -0.22 -0.47 -0.30 0.77 -1.64 0.00 0.00 178.16 176.29 1nvl h SER 29 N -0.49 -0.72 -0.50 -2.11 0.02 -1.43 0.24 113.55 108.57 1nvl h SER 29 Ca 0.03 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.10 1nvl h SER 29 Cb 0.58 0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.21 1nvl h SER 29 CO -0.40 -0.50 -0.23 0.45 -1.14 0.00 0.00 176.83 175.01 1nvl h HIS 30 N -0.87 -0.58 0.19 3.45 3.86 -0.01 0.36 115.15 121.55 1nvl h HIS 30 Ca -0.09 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1nvl h HIS 30 Cb 0.66 0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 1nvl h HIS 30 CO -0.03 -0.31 -0.27 -0.92 0.86 0.00 0.00 177.93 177.27 1nvl h TYR 31 N -0.11 -0.75 -0.98 2.45 3.20 -0.14 0.23 116.97 120.87 1nvl h TYR 31 Ca 0.23 0.01 0.33 0.00 3.14 0.00 0.00 58.73 62.44 1nvl h TYR 31 Cb 0.48 0.30 -0.16 0.00 1.54 0.00 0.00 36.73 38.89 1nvl h TYR 31 CO -0.51 -0.33 0.46 0.87 -1.64 0.00 0.00 178.16 177.01 1nvl h LYS 32 N -0.47 0.19 0.09 1.82 1.79 0.88 0.64 116.57 121.52 1nvl h LYS 32 Ca -0.02 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1nvl h LYS 32 Cb 0.43 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1nvl h LYS 32 CO -0.08 0.13 -0.04 1.96 -1.08 0.00 0.00 179.45 180.34 1nvl h GLN 33 N 0.20 -0.12 0.00 3.15 7.50 0.06 1.09 115.11 126.99 1nvl h GLN 33 Ca 0.72 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.88 1nvl h GLN 33 Cb 1.69 0.03 0.00 0.00 0.05 0.00 0.00 27.48 29.24 1nvl h GLN 33 CO -0.68 0.37 0.00 0.00 -1.50 0.00 0.00 178.83 177.02 1nvl n ALA 34 N -2.46 1.32 -0.00 3.87 0.00 0.78 -3.25 120.51 120.77 1nvl n ALA 34 Ca -0.08 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1nvl n ALA 34 Cb 0.28 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 1nvl n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nvl n THR 35 N -2.18 0.94 -0.07 0.00 -2.24 0.21 -4.86 114.28 106.07 1nvl n THR 35 Ca 0.00 0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.91 1nvl n THR 35 Cb 0.12 -1.67 -0.12 0.00 -2.10 0.00 0.00 70.33 66.56 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 -0.26 1.65 0.00 2.28 2.07 0.10 -3.50 116.25 118.60 1nvl h VAL 36 Ca 0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1nvl h VAL 36 Cb 0.26 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1nvl h VAL 36 CO 0.00 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.76 1nvl n GLY 37 N 1.60 0.31 3.72 2.17 0.00 -0.42 -5.00 105.19 107.56 1nvl n GLY 37 Ca -0.12 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 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 1.80 -0.05 1.61 1.11 -1.26 -4.46 116.67 111.41 1nvl s ASP 38 Ca 0.00 0.53 0.01 0.00 0.18 0.00 0.00 52.55 53.27 1nvl s ASP 38 Cb 0.00 -0.73 -0.03 0.00 1.07 0.00 0.00 42.92 43.23 1nvl s ASP 38 CO 0.00 -3.57 -0.04 -0.51 1.18 0.00 0.00 175.17 172.23 1nvl s ILE 39 N -3.32 3.92 -0.04 0.77 2.07 -1.26 -4.93 121.20 118.41 1nvl s ILE 39 Ca 0.72 -0.48 0.06 0.00 -1.41 0.00 0.00 60.65 59.54 1nvl s ILE 39 Cb -0.08 -2.65 0.10 0.00 0.13 0.00 0.00 42.46 39.95 1nvl s ILE 39 CO 0.55 0.54 0.96 -0.46 -1.91 0.00 0.00 174.94 174.62 1nvl n ASN 40 N 1.97 1.23 -4.80 4.50 2.04 -1.26 -5.05 115.26 113.90 1nvl n ASN 40 Ca -0.17 -2.19 -0.30 0.00 -0.44 0.00 0.00 54.58 51.48 1nvl n ASN 40 Cb 0.53 -0.20 -0.06 0.00 -2.53 0.00 0.00 39.78 37.53 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1nvl s THR 41 N -1.19 1.45 0.31 5.53 -4.23 -1.26 -5.16 115.64 111.09 1nvl s THR 41 Ca 0.11 -1.82 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 1nvl s THR 41 Cb 0.09 -2.27 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 1nvl s THR 41 CO 0.01 0.00 -0.06 -1.83 -0.54 0.00 0.00 174.62 172.20 1nvl s GLU 42 N -3.99 1.99 -0.98 3.99 -1.05 -1.26 -5.05 118.70 112.34 1nvl s GLU 42 Ca 0.19 -1.71 -0.19 0.00 -0.15 0.00 0.00 54.97 53.11 1nvl s GLU 42 Cb 0.01 -1.91 -0.28 0.00 -0.44 0.00 0.00 34.13 31.52 1nvl s GLU 42 CO 0.11 0.23 2.39 -2.13 0.95 0.00 0.00 175.26 176.81 1nvl n ARG 43 N -0.84 0.05 -1.17 -4.83 0.63 -1.26 -4.89 116.66 104.35 1nvl n ARG 43 Ca -0.05 -0.03 -0.37 0.00 -0.92 0.00 0.00 57.85 56.48 1nvl n ARG 43 Cb 0.61 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.17 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 6.93 0.00 -2.37 -0.14 -0.02 -1.26 -4.97 135.00 133.16 1nvl n PRO 44 Ca 0.66 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.99 1nvl n PRO 44 Cb 0.12 -0.92 0.03 0.00 -0.02 0.00 0.00 33.50 32.71 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 2.24 4.47 0.06 -1.23 0.00 -1.26 -4.56 105.19 104.91 1nvl n GLY 45 Ca 0.09 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.63 0.35 -3.03 1.61 0.00 -1.26 -4.85 117.12 109.30 1nvl n MET 46 Ca 0.29 0.19 -0.15 0.00 0.00 0.00 0.00 57.70 58.03 1nvl n MET 46 Cb 0.88 -1.17 0.01 0.00 0.00 0.00 0.00 33.22 32.94 1nvl n MET 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1nvl n LEU 47 N -3.83 0.04 0.00 3.17 0.00 -1.26 -5.07 117.00 110.05 1nvl n LEU 47 Ca -0.09 -4.57 0.00 0.00 0.00 0.00 0.00 56.01 51.35 1nvl n LEU 47 Cb 0.32 0.74 0.00 0.00 0.00 0.00 0.00 43.42 44.48 1nvl n LEU 47 CO 0.13 2.18 0.00 0.47 0.00 0.00 0.00 177.39 180.17 1nvl n ASP 48 N 0.26 0.00 0.01 1.96 9.92 -1.26 -0.10 116.55 127.33 1nvl n ASP 48 Ca 0.19 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.47 1nvl n ASP 48 Cb 0.68 0.00 0.39 0.00 -0.64 0.00 0.00 41.12 41.56 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 0.50 -0.02 1.24 -0.00 -1.97 0.67 116.94 117.36 1nvl h PHE 49 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 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 0.38 0.00 1.17 -0.00 0.00 0.00 178.31 179.86 1nvl n LYS 50 N -4.41 1.14 0.00 6.09 4.81 0.86 -3.17 118.16 123.48 1nvl n LYS 50 Ca 0.02 -0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1nvl n LYS 50 Cb 0.12 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.79 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 0.93 0.10 0.46 3.14 0.00 -0.36 -4.79 105.19 104.67 1nvl n GLY 51 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.99 -0.94 1.61 6.56 0.11 -2.35 116.57 120.58 1nvl h LYS 52 Ca 0.00 0.07 0.09 0.00 -1.06 0.00 0.00 60.65 59.75 1nvl h LYS 52 Cb 0.00 0.22 -0.12 0.00 -0.57 0.00 0.00 32.23 31.76 1nvl h LYS 52 CO 0.00 -0.66 -0.56 0.00 -2.06 0.00 0.00 179.45 176.17 1nvl h ALA 53 N -1.19 -0.48 0.00 3.86 0.00 -1.64 0.66 119.26 120.46 1nvl h ALA 53 Ca -0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nvl h ALA 53 Cb 0.84 1.30 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1nvl h ALA 53 CO 0.05 -0.93 0.00 0.36 0.00 0.00 0.00 179.25 178.73 1nvl n LYS 54 N -5.29 0.32 -0.10 0.00 2.85 -1.22 -2.22 118.16 112.49 1nvl n LYS 54 Ca 0.03 0.08 -0.19 0.00 -1.05 0.00 0.00 58.31 57.18 1nvl n LYS 54 Cb 0.29 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.04 1nvl n LYS 54 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 1nvl n TRP 55 N -1.27 0.27 0.29 5.58 -0.00 0.86 -3.59 117.44 119.58 1nvl n TRP 55 Ca 0.10 0.06 -0.18 0.00 -0.00 0.00 0.00 57.50 57.48 1nvl n TRP 55 Cb 0.17 -1.03 -0.10 0.00 -0.00 0.00 0.00 31.31 30.34 1nvl n TRP 55 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1nvl h ASP 56 N 0.02 -1.39 -0.43 5.87 5.19 0.20 0.45 116.42 126.32 1nvl h ASP 56 Ca -0.55 0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.05 1nvl h ASP 56 Cb 1.93 0.46 -0.09 0.00 0.18 0.00 0.00 39.33 41.81 1nvl h ASP 56 CO -0.05 -0.66 -0.41 0.00 -3.12 0.00 0.00 179.24 175.00 1nvl h ALA 57 N -0.91 -0.36 -0.80 3.45 0.00 -1.63 0.26 119.26 119.27 1nvl h ALA 57 Ca -0.06 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1nvl h ALA 57 Cb 0.87 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 1nvl h ALA 57 CO -0.07 -0.83 0.45 2.35 0.00 0.00 0.00 179.25 181.16 1nvl h TRP 58 N -0.30 0.83 -0.33 0.00 7.01 -1.23 0.18 115.95 122.11 1nvl h TRP 58 Ca 0.15 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.19 1nvl h TRP 58 Cb 0.57 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 1nvl h TRP 58 CO -0.62 0.35 0.20 -0.97 -2.79 0.00 0.00 178.44 174.61 1nvl h ASN 59 N 0.78 0.33 0.13 2.65 -1.24 0.12 0.84 115.58 119.18 1nvl h ASN 59 Ca 0.38 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.38 1nvl h ASN 59 Cb 0.33 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.30 1nvl h ASN 59 CO -0.23 0.24 -0.06 -0.08 -1.29 0.00 0.00 177.43 176.01 1nvl h GLU 60 N 0.41 0.00 -0.01 6.67 4.22 0.90 -2.57 114.58 124.20 1nvl h GLU 60 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.57 1nvl h GLU 60 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1nvl h GLU 60 CO -0.05 0.06 -0.26 1.28 -2.18 0.00 0.00 179.01 177.85 1nvl n LEU 61 N -3.90 1.53 -4.51 1.64 4.77 0.47 -5.03 117.00 111.98 1nvl n LEU 61 Ca -0.03 -0.79 -0.51 0.00 -0.03 0.00 0.00 56.01 54.66 1nvl n LEU 61 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1nvl n LEU 61 CO 0.30 0.30 0.47 1.17 -1.33 0.00 0.00 177.39 178.29 1nvl n LYS 62 N -0.09 0.55 0.00 3.23 4.81 0.28 -1.20 118.16 125.73 1nvl n LYS 62 Ca 0.06 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1nvl n LYS 62 Cb 0.29 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.80 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 1.84 2.92 3.54 3.14 0.00 -1.26 -4.96 105.19 110.41 1nvl n GLY 63 Ca 0.17 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 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 1.88 -2.10 2.61 -1.04 -0.34 -4.87 114.28 110.42 1nvl n THR 64 Ca 0.00 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.05 61.11 1nvl n THR 64 Cb 0.00 -0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 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 -0.61 6.53 0.19 8.00 0.01 -1.26 -4.87 113.70 121.69 1nvl s SER 65 Ca 0.62 1.85 -0.25 0.00 1.31 0.00 0.00 55.95 59.47 1nvl s SER 65 Cb -0.78 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 62.99 1nvl s SER 65 CO 0.58 -1.10 1.53 0.29 0.41 0.00 0.00 173.24 174.95 1nvl n LYS 66 N 7.37 -0.34 -0.41 12.44 5.02 -1.26 -1.56 118.16 139.42 1nvl n LYS 66 Ca 0.18 1.50 -0.11 0.00 -2.02 0.00 0.00 58.31 57.86 1nvl n LYS 66 Cb 0.44 -2.22 -0.10 0.00 -0.02 0.00 0.00 35.03 33.13 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 -0.39 1.97 5.08 -1.89 0.78 114.58 120.13 1nvl h GLU 67 Ca 0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1nvl h GLU 67 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1nvl h GLU 67 CO -0.95 -0.00 0.09 -0.44 -1.00 0.00 0.00 179.01 176.70 1nvl h ASP 68 N -0.01 0.52 0.07 1.42 3.32 -1.68 0.85 116.42 120.91 1nvl h ASP 68 Ca 0.16 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1nvl h ASP 68 Cb 0.40 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1nvl h ASP 68 CO -0.91 0.53 -0.25 0.00 -1.72 0.00 0.00 179.24 176.88 1nvl h ALA 69 N 1.55 1.27 0.63 3.45 0.00 0.26 0.12 119.26 126.54 1nvl h ALA 69 Ca 0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1nvl h ALA 69 Cb 0.22 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1nvl h ALA 69 CO -0.00 0.49 -0.30 0.52 0.00 0.00 0.00 179.25 179.95 1nvl h MET 70 N 0.27 -0.82 -0.65 0.00 2.86 0.24 0.34 114.93 117.17 1nvl h MET 70 Ca 0.04 0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1nvl h MET 70 Cb 0.59 0.19 -0.08 0.00 0.06 0.00 0.00 31.60 32.36 1nvl h MET 70 CO 0.04 -0.51 -0.38 1.17 1.06 0.00 0.00 176.91 178.29 1nvl n LYS 71 N -5.36 -0.28 0.10 1.72 4.81 0.09 0.19 118.16 119.42 1nvl n LYS 71 Ca -0.12 1.19 -0.02 0.00 -0.87 0.00 0.00 58.31 58.49 1nvl n LYS 71 Cb 0.36 -1.75 0.20 0.00 0.02 0.00 0.00 35.03 33.85 1nvl n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nvl h ALA 72 N 0.11 1.05 0.88 3.14 0.00 -1.00 -1.21 119.26 122.23 1nvl h ALA 72 Ca 0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1nvl h ALA 72 Cb 0.27 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nvl h ALA 72 CO -0.61 0.63 -0.43 -0.92 0.00 0.00 0.00 179.25 177.92 1nvl h TYR 73 N 0.16 -1.12 -0.48 0.00 3.20 0.35 0.29 116.97 119.37 1nvl h TYR 73 Ca 0.01 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.95 1nvl h TYR 73 Cb 0.91 0.37 -0.10 0.00 1.54 0.00 0.00 36.73 39.45 1nvl h TYR 73 CO 0.01 -0.69 -0.20 0.82 -1.64 0.00 0.00 178.16 176.46 1nvl h ILE 74 N -1.20 0.38 0.00 1.81 2.04 -0.16 0.47 117.51 120.85 1nvl h ILE 74 Ca -0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1nvl h ILE 74 Cb 0.92 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1nvl h ILE 74 CO 0.19 0.00 -0.13 0.44 0.00 0.00 0.00 178.15 178.65 1nvl h ASP 75 N -0.09 0.00 0.00 1.72 5.19 -1.04 0.28 116.42 122.47 1nvl h ASP 75 Ca 0.23 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1nvl h ASP 75 Cb 0.45 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 1nvl h ASP 75 CO -0.54 0.13 -0.07 0.50 -3.12 0.00 0.00 179.24 176.14 1nvl h LYS 76 N 0.00 0.00 -0.68 3.56 1.63 0.32 -0.13 116.57 121.28 1nvl h LYS 76 Ca -0.00 -0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.93 1nvl h LYS 76 Cb 0.42 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.95 1nvl h LYS 76 CO 0.02 1.00 0.14 0.28 -3.45 0.00 0.00 179.45 177.44 1nvl h VAL 77 N -0.99 0.56 0.29 2.00 2.07 0.02 0.33 116.25 120.53 1nvl h VAL 77 Ca -0.02 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1nvl h VAL 77 Cb 1.02 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1nvl h VAL 77 CO -0.01 0.05 -0.44 -0.33 0.02 0.00 0.00 177.57 176.86 1nvl h GLU 78 N 0.26 -0.74 -0.84 1.57 4.39 -0.88 0.23 114.58 118.58 1nvl h GLU 78 Ca 0.37 0.05 0.13 0.00 0.34 0.00 0.00 59.36 60.25 1nvl h GLU 78 Cb 0.59 0.17 -0.13 0.00 -0.10 0.00 0.00 28.75 29.28 1nvl h GLU 78 CO -0.47 -0.49 -0.33 0.39 -1.16 0.00 0.00 179.01 176.94 1nvl n GLU 79 N -5.00 -0.20 0.21 2.33 -0.58 0.60 -0.68 120.64 117.32 1nvl n GLU 79 Ca -0.09 1.29 -0.15 0.00 -0.42 0.00 0.00 57.16 57.78 1nvl n GLU 79 Cb 0.37 -1.91 -0.08 0.00 -0.57 0.00 0.00 31.44 29.26 1nvl n GLU 79 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1nvl h LEU 80 N 0.00 -0.96 -0.57 -4.62 3.38 0.11 -2.00 115.31 110.65 1nvl h LEU 80 Ca 0.28 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.40 1nvl h LEU 80 Cb 0.49 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 1nvl h LEU 80 CO -0.83 -0.49 -0.55 0.50 0.09 0.00 0.00 178.44 177.16 1nvl h LYS 81 N -0.72 -0.27 -0.96 1.13 3.64 0.18 0.49 116.57 120.06 1nvl h LYS 81 Ca -0.02 0.02 0.30 0.00 -1.27 0.00 0.00 60.65 59.68 1nvl h LYS 81 Cb 0.66 0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.38 1nvl h LYS 81 CO -0.08 -0.18 0.39 0.87 -2.27 0.00 0.00 179.45 178.18 1nvl h LYS 82 N -0.29 0.19 0.13 1.90 1.79 -1.03 0.66 116.57 119.93 1nvl h LYS 82 Ca 0.11 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.35 1nvl h LYS 82 Cb 0.55 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1nvl h LYS 82 CO -0.69 0.12 -0.93 0.87 -1.08 0.00 0.00 179.45 177.74 1nvl h LYS 83 N 0.19 0.40 0.00 3.15 1.57 0.05 -3.41 116.57 118.52 1nvl h LYS 83 Ca 0.68 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1nvl h LYS 83 Cb 1.53 0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.05 1nvl h LYS 83 CO -0.69 1.27 -1.38 0.66 -0.57 0.00 0.00 179.45 178.74 1nvl n TYR 84 N -4.04 0.00 -1.08 -1.35 4.01 0.14 -5.05 117.16 109.79 1nvl n TYR 84 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1nvl n TYR 84 Cb 0.86 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 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 1.41 0.90 0.38 2.72 0.00 0.14 -4.90 105.19 105.84 1nvl n GLY 85 Ca 0.01 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83