#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 3.70 0.00 1.43 7.27 -1.26 -4.85 117.38 123.66 1nvl n GLN 2 Ca 0.00 -2.52 0.00 0.00 0.07 0.00 0.00 57.00 54.55 1nvl n GLN 2 Cb 0.00 -2.86 0.00 0.00 2.41 0.00 0.00 30.24 29.79 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 3.74 0.00 -0.33 1.69 0.00 -1.26 -0.95 120.51 123.40 1nvl n ALA 3 Ca 0.70 0.00 0.18 0.00 0.00 0.00 0.00 53.44 54.32 1nvl n ALA 3 Cb 0.27 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.10 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 0.40 0.44 0.00 5.08 -1.99 0.19 114.58 118.70 1nvl h GLU 4 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1nvl h GLU 4 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1nvl h GLU 4 CO 0.00 0.26 -0.21 0.35 -1.00 0.00 0.00 179.01 178.41 1nvl h PHE 5 N 0.41 -0.55 -0.50 4.33 3.57 -1.39 -0.81 116.94 122.00 1nvl h PHE 5 Ca 0.64 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.22 1nvl h PHE 5 Cb 1.30 0.18 -0.10 0.00 2.79 0.00 0.00 35.95 40.12 1nvl h PHE 5 CO -0.07 -0.26 -0.34 -0.44 -2.23 0.00 0.00 178.31 174.96 1nvl h ASP 6 N -1.07 -1.17 -0.66 0.41 5.19 -1.30 0.22 116.42 118.04 1nvl h ASP 6 Ca -0.06 0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.51 1nvl h ASP 6 Cb 0.54 0.56 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 1nvl h ASP 6 CO 0.10 -0.32 0.19 0.50 -3.12 0.00 0.00 179.24 176.60 1nvl h LYS 7 N -0.21 1.04 -1.01 3.56 3.64 -0.79 -0.92 116.57 121.88 1nvl h LYS 7 Ca 0.20 -0.23 0.22 0.00 -1.27 0.00 0.00 60.65 59.57 1nvl h LYS 7 Cb 0.55 -0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.11 1nvl h LYS 7 CO -0.62 0.91 0.61 0.00 -2.27 0.00 0.00 179.45 178.09 1nvl h ALA 8 N 1.08 1.82 -0.31 5.00 0.00 0.90 0.86 119.26 128.60 1nvl h ALA 8 Ca 0.21 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1nvl h ALA 8 Cb 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1nvl h ALA 8 CO -0.00 -0.23 0.10 0.00 0.00 0.00 0.00 179.25 179.11 1nvl h ALA 9 N 1.67 0.35 0.05 0.00 0.00 0.37 0.18 119.26 121.88 1nvl h ALA 9 Ca 0.60 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.58 1nvl h ALA 9 Cb 1.12 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1nvl h ALA 9 CO -0.40 -0.31 -0.45 0.93 0.00 0.00 0.00 179.25 179.03 1nvl h GLU 10 N 0.23 -0.61 0.12 0.00 5.08 -0.76 -0.10 114.58 118.53 1nvl h GLU 10 Ca 0.14 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1nvl h GLU 10 Cb 0.12 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1nvl h GLU 10 CO -0.15 -0.41 -0.41 0.93 -1.00 0.00 0.00 179.01 177.97 1nvl h GLU 11 N -0.64 -0.62 -0.62 2.33 5.08 -1.04 -2.47 114.58 116.61 1nvl h GLU 11 Ca 0.03 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1nvl h GLU 11 Cb 0.69 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 1nvl h GLU 11 CO -0.30 -0.41 0.21 -0.24 -1.00 0.00 0.00 179.01 177.27 1nvl h VAL 12 N -0.65 0.73 0.00 3.13 3.04 -0.31 0.20 116.25 122.40 1nvl h VAL 12 Ca 0.02 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1nvl h VAL 12 Cb 0.67 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 1nvl h VAL 12 CO -0.23 0.07 0.12 0.29 -1.01 0.00 0.00 177.57 176.80 1nvl n LYS 13 N -5.03 0.00 -0.00 4.17 5.02 -0.08 -0.39 118.16 121.84 1nvl n LYS 13 Ca 0.09 0.38 0.10 0.00 -2.02 0.00 0.00 58.31 56.87 1nvl n LYS 13 Cb 0.30 -1.62 0.09 0.00 -0.02 0.00 0.00 35.03 33.78 1nvl n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nvl n HIS 14 N -1.38 0.01 -1.72 2.13 8.25 0.70 -4.93 115.22 118.29 1nvl n HIS 14 Ca 0.00 -0.01 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 1nvl n HIS 14 Cb 0.12 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 1nvl n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nvl s LEU 15 N -1.71 3.29 0.00 2.41 1.43 0.47 -4.81 118.68 119.76 1nvl s LEU 15 Ca 0.24 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1nvl s LEU 15 Cb 0.17 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1nvl s LEU 15 CO 0.26 -2.89 0.46 0.29 0.23 0.00 0.00 176.35 174.70 1nvl n LYS 16 N 9.02 0.00 -3.39 1.70 5.02 -1.26 -3.94 118.16 125.31 1nvl n LYS 16 Ca 0.34 0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.42 1nvl n LYS 16 Cb 0.52 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 1nvl n LYS 16 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1nvl n THR 17 N -0.96 0.82 0.00 -0.18 -1.04 -1.26 -5.07 114.28 106.60 1nvl n THR 17 Ca 0.00 -4.57 0.00 0.00 -2.04 0.00 0.00 64.05 57.44 1nvl n THR 17 Cb 0.01 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 1nvl n THR 17 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1nvl n LYS 18 N 1.38 0.00 -0.90 -2.82 2.85 -1.25 -4.79 118.16 112.62 1nvl n LYS 18 Ca 0.26 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.16 1nvl n LYS 18 Cb 0.45 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.91 1nvl n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1nvl n PRO 19 N 0.00 -0.31 -1.56 -1.58 -0.02 -1.26 -4.85 135.00 125.43 1nvl n PRO 19 Ca 0.00 -0.08 -0.49 0.00 -2.02 0.00 0.00 63.50 60.92 1nvl n PRO 19 Cb 0.00 -1.33 -0.04 0.00 -0.02 0.00 0.00 33.50 32.11 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 -3.26 -1.10 -0.21 3.55 0.00 -1.26 -4.56 120.51 113.68 1nvl n ALA 20 Ca 0.01 0.46 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 1nvl n ALA 20 Cb 0.60 -1.96 0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 2.84 -0.97 -1.76 0.00 5.19 -1.98 0.42 116.42 120.16 1nvl h ASP 21 Ca -0.41 0.22 0.51 0.00 -0.62 0.00 0.00 57.03 56.72 1nvl h ASP 21 Cb 1.36 0.52 -0.07 0.00 0.18 0.00 0.00 39.33 41.32 1nvl h ASP 21 CO 0.67 -0.28 1.32 -0.33 -3.12 0.00 0.00 179.24 177.50 1nvl h GLU 22 N -0.11 0.00 0.00 3.56 5.08 -1.99 0.65 114.58 121.77 1nvl h GLU 22 Ca 0.26 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1nvl h GLU 22 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1nvl h GLU 22 CO -0.68 0.00 -0.87 0.93 -1.00 0.00 0.00 179.01 177.39 1nvl h GLU 23 N 0.00 0.00 -0.38 2.33 5.08 -0.53 -3.21 114.58 117.87 1nvl h GLU 23 Ca 0.83 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 59.28 1nvl h GLU 23 Cb 3.47 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 32.63 1nvl h GLU 23 CO -0.01 0.78 -0.27 0.52 -1.00 0.00 0.00 179.01 179.03 1nvl h MET 24 N -1.00 -0.20 -0.92 2.33 2.86 0.34 0.34 114.93 118.67 1nvl h MET 24 Ca -0.22 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 57.66 1nvl h MET 24 Cb 1.06 0.05 -0.17 0.00 0.06 0.00 0.00 31.60 32.60 1nvl h MET 24 CO -0.13 -0.14 -0.04 -0.07 1.06 0.00 0.00 176.91 177.60 1nvl h LEU 25 N -0.21 -0.53 0.22 1.22 3.38 0.01 0.49 115.31 119.89 1nvl h LEU 25 Ca 0.18 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1nvl h LEU 25 Cb 0.50 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1nvl h LEU 25 CO -0.51 -0.30 -0.11 0.15 0.09 0.00 0.00 178.44 177.77 1nvl h PHE 26 N 0.03 -0.27 -0.90 1.13 3.04 -0.83 -1.53 116.94 117.61 1nvl h PHE 26 Ca 0.52 -0.01 0.21 0.00 3.98 0.00 0.00 57.97 62.67 1nvl h PHE 26 Cb 0.98 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 39.52 1nvl h PHE 26 CO -0.53 -0.17 0.60 0.82 -2.02 0.00 0.00 178.31 177.00 1nvl h ILE 27 N -1.03 0.67 0.30 1.41 1.08 -0.04 0.33 117.51 120.23 1nvl h ILE 27 Ca -0.03 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1nvl h ILE 27 Cb 0.23 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1nvl h ILE 27 CO 0.05 0.07 -0.14 0.22 -0.69 0.00 0.00 178.15 177.66 1nvl h TYR 28 N 0.38 -0.37 -0.33 1.37 3.20 -0.10 0.35 116.97 121.47 1nvl h TYR 28 Ca 0.47 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.40 1nvl h TYR 28 Cb 1.20 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 39.51 1nvl h TYR 28 CO -0.00 -0.23 -0.23 0.66 -1.64 0.00 0.00 178.16 176.72 1nvl h SER 29 N -0.53 -0.75 -0.28 -2.11 4.64 -0.65 0.27 113.55 114.14 1nvl h SER 29 Ca -0.04 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1nvl h SER 29 Cb 0.31 0.37 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1nvl h SER 29 CO 0.07 -0.26 0.12 0.45 -0.87 0.00 0.00 176.83 176.35 1nvl h HIS 30 N -0.19 0.41 0.22 4.77 3.86 -0.45 0.27 115.15 124.05 1nvl h HIS 30 Ca 0.17 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1nvl h HIS 30 Cb 0.45 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1nvl h HIS 30 CO -0.43 0.39 -0.10 -0.92 0.86 0.00 0.00 177.93 177.73 1nvl h TYR 31 N 0.31 -0.27 0.29 2.45 3.20 0.29 0.20 116.97 123.44 1nvl h TYR 31 Ca 0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1nvl h TYR 31 Cb 0.15 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1nvl h TYR 31 CO -0.01 -0.05 -0.45 0.87 -1.64 0.00 0.00 178.16 176.88 1nvl h LYS 32 N -0.46 -0.77 -0.15 1.82 6.56 -0.41 -1.68 116.57 121.48 1nvl h LYS 32 Ca -0.03 0.05 0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1nvl h LYS 32 Cb 0.35 0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 32.15 1nvl h LYS 32 CO 0.05 -0.51 -0.26 0.37 -2.06 0.00 0.00 179.45 177.04 1nvl h GLN 33 N -0.80 -0.20 -0.34 3.15 -0.00 -0.35 0.67 115.11 117.23 1nvl h GLN 33 Ca -0.02 0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.75 1nvl h GLN 33 Cb 0.75 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.27 1nvl h GLN 33 CO -0.16 -0.14 0.76 0.00 0.00 0.00 0.00 178.83 179.29 1nvl h ALA 34 N -0.77 2.09 0.00 3.38 0.00 -0.40 0.55 119.26 124.11 1nvl h ALA 34 Ca 0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1nvl h ALA 34 Cb 0.29 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1nvl h ALA 34 CO -0.26 -0.93 -1.72 0.25 0.00 0.00 0.00 179.25 176.59 1nvl n THR 35 N -3.05 0.78 -0.10 0.00 -2.24 -0.44 -4.76 114.28 104.48 1nvl n THR 35 Ca 0.07 -0.17 -0.19 0.00 -2.27 0.00 0.00 64.05 61.48 1nvl n THR 35 Cb 0.88 -1.70 -0.11 0.00 -2.10 0.00 0.00 70.33 67.31 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 0.93 0.00 2.28 2.07 0.39 -3.50 116.25 117.92 1nvl h VAL 36 Ca -0.34 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1nvl h VAL 36 Cb 1.27 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1nvl h VAL 36 CO -0.20 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1nvl n GLY 37 N 1.48 0.94 1.61 2.17 0.00 0.19 -4.92 105.19 106.66 1nvl n GLY 37 Ca -0.27 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 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 0.19 -2.40 -4.57 1.61 9.92 -1.25 -4.25 116.55 115.79 1nvl n ASP 38 Ca 0.00 -0.60 -0.34 0.00 -0.53 0.00 0.00 54.79 53.32 1nvl n ASP 38 Cb 0.00 -0.48 -0.11 0.00 -0.64 0.00 0.00 41.12 39.88 1nvl n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1nvl s ILE 39 N -1.72 3.70 -0.27 0.53 2.07 -1.26 -4.82 121.20 119.43 1nvl s ILE 39 Ca 0.33 -0.47 0.16 0.00 -1.41 0.00 0.00 60.65 59.26 1nvl s ILE 39 Cb -0.05 -2.52 0.49 0.00 0.13 0.00 0.00 42.46 40.51 1nvl s ILE 39 CO 0.27 0.59 1.14 -0.46 -1.91 0.00 0.00 174.94 174.57 1nvl n ASN 40 N 2.31 2.93 -1.78 4.50 0.23 -1.26 -5.09 115.26 117.10 1nvl n ASN 40 Ca -0.18 -2.74 -0.07 0.00 -0.53 0.00 0.00 54.58 51.07 1nvl n ASN 40 Cb 0.53 -0.42 -0.03 0.00 -2.08 0.00 0.00 39.78 37.78 1nvl n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1nvl n THR 41 N -0.64 0.00 -3.56 5.53 -2.24 -1.26 -5.18 114.28 106.93 1nvl n THR 41 Ca 0.22 -0.79 -0.20 0.00 -2.27 0.00 0.00 64.05 61.00 1nvl n THR 41 Cb 0.87 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1nvl n THR 41 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1nvl s GLU 42 N -2.45 2.60 -0.76 -0.78 -1.05 -1.26 -5.11 118.70 109.89 1nvl s GLU 42 Ca 0.12 -1.46 -0.15 0.00 -0.15 0.00 0.00 54.97 53.33 1nvl s GLU 42 Cb 0.01 -2.43 0.20 0.00 -0.44 0.00 0.00 34.13 31.46 1nvl s GLU 42 CO 0.09 -0.15 0.71 0.50 0.95 0.00 0.00 175.26 177.36 1nvl s ARG 43 N -4.13 3.46 0.55 -4.83 3.52 -1.26 -5.02 118.95 111.24 1nvl s ARG 43 Ca 0.47 -2.28 -0.18 0.00 -0.13 0.00 0.00 55.73 53.61 1nvl s ARG 43 Cb -0.04 -4.40 -0.11 0.00 -1.56 0.00 0.00 34.95 28.83 1nvl s ARG 43 CO 0.28 -1.30 0.24 -2.30 -0.81 0.00 0.00 175.30 171.41 1nvl n PRO 44 N 4.28 0.29 -0.02 5.12 -0.02 -1.26 -4.88 135.00 138.50 1nvl n PRO 44 Ca 0.07 0.11 -0.02 0.00 -2.02 0.00 0.00 63.50 61.65 1nvl n PRO 44 Cb 0.45 -1.40 -0.05 0.00 -0.02 0.00 0.00 33.50 32.48 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 2.10 -0.30 0.07 -1.23 0.00 -1.26 -4.26 105.19 100.31 1nvl n GLY 45 Ca 0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1nvl n GLY 45 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nvl h MET 46 N 0.00 -0.05 0.00 1.61 2.86 -2.03 -3.40 114.93 113.92 1nvl h MET 46 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1nvl h MET 46 Cb 1.14 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1nvl h MET 46 CO 0.01 0.43 -0.19 -0.07 1.06 0.00 0.00 176.91 178.14 1nvl h LEU 47 N -0.55 0.00 0.00 1.22 -0.00 -1.96 -3.48 115.31 110.54 1nvl h LEU 47 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1nvl h LEU 47 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1nvl h LEU 47 CO 0.01 0.29 0.00 0.47 -0.00 0.00 0.00 178.44 179.21 1nvl n ASP 48 N -3.18 0.00 -0.01 -0.43 9.92 -1.26 -4.57 116.55 117.02 1nvl n ASP 48 Ca -0.03 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.08 1nvl n ASP 48 Cb 0.10 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.54 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 0.94 -0.64 1.24 -5.15 -1.94 0.92 116.94 112.31 1nvl h PHE 49 Ca 0.00 -0.40 0.00 0.00 -0.20 0.00 0.00 57.97 57.37 1nvl h PHE 49 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 36.02 1nvl h PHE 49 CO 0.00 1.22 0.00 1.17 -2.00 0.00 0.00 178.31 178.70 1nvl n LYS 50 N -3.92 2.53 0.00 6.09 4.81 -1.26 -3.89 118.16 122.52 1nvl n LYS 50 Ca -0.06 -2.32 0.00 0.00 -0.87 0.00 0.00 58.31 55.06 1nvl n LYS 50 Cb 0.72 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 34.26 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 1.50 0.17 0.06 3.14 0.00 -0.99 -4.84 105.19 104.23 1nvl n GLY 51 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 0.01 -0.58 1.61 1.57 0.63 -3.28 116.57 116.53 1nvl h LYS 52 Ca 0.00 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1nvl h LYS 52 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1nvl h LYS 52 CO 0.00 0.62 -0.49 0.00 -0.57 0.00 0.00 179.45 179.01 1nvl h ALA 53 N 0.39 -0.60 0.00 3.86 0.00 -1.28 0.58 119.26 122.21 1nvl h ALA 53 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nvl h ALA 53 Cb 0.62 1.18 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1nvl h ALA 53 CO 0.00 -0.89 0.00 0.36 0.00 0.00 0.00 179.25 178.72 1nvl n LYS 54 N -4.94 0.01 -0.11 0.00 2.85 -1.26 0.01 118.16 114.73 1nvl n LYS 54 Ca -0.01 0.39 -0.24 0.00 -1.05 0.00 0.00 58.31 57.40 1nvl n LYS 54 Cb 0.26 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.02 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 -1.41 0.34 0.17 5.58 -0.00 0.16 -3.87 117.44 118.42 1nvl n TRP 55 Ca 0.00 0.11 -0.14 0.00 -0.00 0.00 0.00 57.50 57.47 1nvl n TRP 55 Cb 0.01 -1.04 -0.08 0.00 -0.00 0.00 0.00 31.31 30.20 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 -0.54 -0.32 -1.11 5.87 3.32 0.23 0.48 116.42 124.35 1nvl h ASP 56 Ca -0.57 -0.03 0.32 0.00 0.02 0.00 0.00 57.03 56.77 1nvl h ASP 56 Cb 1.71 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 41.30 1nvl h ASP 56 CO -0.22 -0.18 0.98 0.00 -1.72 0.00 0.00 179.24 178.11 1nvl h ALA 57 N 0.27 2.99 0.02 3.45 0.00 -0.58 0.32 119.26 125.72 1nvl h ALA 57 Ca -0.04 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.45 1nvl h ALA 57 Cb 0.33 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1nvl h ALA 57 CO 0.06 -1.55 -2.39 1.87 0.00 0.00 0.00 179.25 177.24 1nvl n TRP 58 N -3.73 0.21 -0.21 0.00 -0.00 0.01 -4.25 117.44 109.46 1nvl n TRP 58 Ca 0.24 0.05 0.01 0.00 -0.00 0.00 0.00 57.50 57.80 1nvl n TRP 58 Cb 1.34 -1.03 0.12 0.00 -0.00 0.00 0.00 31.31 31.74 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 0.01 0.19 0.00 5.87 -1.24 0.20 0.79 115.58 121.40 1nvl h ASN 59 Ca -0.55 0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.55 1nvl h ASN 59 Cb 1.96 0.08 0.00 0.00 0.73 0.00 0.00 38.32 41.08 1nvl h ASN 59 CO -0.05 0.11 0.27 -0.08 -1.29 0.00 0.00 177.43 176.40 1nvl h GLU 60 N 0.39 0.00 0.00 6.67 4.81 -0.66 0.28 114.58 126.06 1nvl h GLU 60 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1nvl h GLU 60 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1nvl h GLU 60 CO -0.33 0.00 -0.04 1.28 -0.73 0.00 0.00 179.01 179.19 1nvl n LEU 61 N -2.19 1.55 0.20 1.64 4.77 0.25 -4.86 117.00 118.36 1nvl n LEU 61 Ca -0.01 -1.77 0.08 0.00 -0.03 0.00 0.00 56.01 54.28 1nvl n LEU 61 Cb 0.30 -0.09 0.41 0.00 -2.33 0.00 0.00 43.42 41.72 1nvl n LEU 61 CO 0.07 0.43 0.85 0.50 -1.33 0.00 0.00 177.39 177.92 1nvl h LYS 62 N 0.00 0.00 -0.24 3.23 3.11 0.16 0.18 116.57 123.01 1nvl h LYS 62 Ca 0.00 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.62 1nvl h LYS 62 Cb 0.76 0.00 -0.35 0.00 -1.00 0.00 0.00 32.23 31.64 1nvl h LYS 62 CO 0.00 0.00 -0.97 0.41 -2.81 0.00 0.00 179.45 176.08 1nvl n GLY 63 N -1.27 2.46 3.93 5.01 0.00 -1.26 -3.94 105.19 110.13 1nvl n GLY 63 Ca -0.01 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.32 4.31 -0.26 2.61 2.01 0.05 -5.06 115.64 116.98 1nvl s THR 64 Ca 0.34 -0.24 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 1nvl s THR 64 Cb 0.36 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 1nvl s THR 64 CO -0.09 -0.51 0.54 -0.94 -0.69 0.00 0.00 174.62 172.93 1nvl s SER 65 N -4.18 6.45 0.27 3.53 1.04 -1.26 -4.78 113.70 114.78 1nvl s SER 65 Ca 0.48 0.53 -0.06 0.00 0.48 0.00 0.00 55.95 57.37 1nvl s SER 65 Cb -0.10 -2.29 0.48 0.00 0.10 0.00 0.00 66.02 64.21 1nvl s SER 65 CO 0.40 -0.31 1.49 0.29 0.98 0.00 0.00 173.24 176.09 1nvl n LYS 66 N 5.59 -0.08 0.08 4.02 5.02 -1.26 -0.72 118.16 130.81 1nvl n LYS 66 Ca -0.03 1.48 -0.14 0.00 -2.02 0.00 0.00 58.31 57.60 1nvl n LYS 66 Cb 0.50 -2.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.20 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 -0.58 -0.96 1.97 5.08 -1.91 0.10 114.58 118.29 1nvl h GLU 67 Ca 0.47 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1nvl h GLU 67 Cb 0.76 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 1nvl h GLU 67 CO -0.97 -0.38 0.62 -0.44 -1.00 0.00 0.00 179.01 176.83 1nvl h ASP 68 N -0.60 1.11 -0.90 1.42 3.32 -1.33 -0.27 116.42 119.18 1nvl h ASP 68 Ca 0.04 -0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.16 1nvl h ASP 68 Cb 0.66 -0.28 -0.08 0.00 0.22 0.00 0.00 39.33 39.85 1nvl h ASP 68 CO -0.28 0.82 0.53 0.00 -1.72 0.00 0.00 179.24 178.59 1nvl h ALA 69 N 1.34 1.32 0.95 3.45 0.00 -0.78 0.00 119.26 125.54 1nvl h ALA 69 Ca 0.35 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1nvl h ALA 69 Cb -0.13 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.52 1nvl h ALA 69 CO -0.07 0.13 -0.45 0.52 0.00 0.00 0.00 179.25 179.37 1nvl h MET 70 N 0.85 -1.22 -0.57 0.00 2.86 0.96 0.71 114.93 118.52 1nvl h MET 70 Ca 0.44 0.08 0.06 0.00 -2.06 0.00 0.00 59.70 58.22 1nvl h MET 70 Cb 0.44 0.28 -0.08 0.00 0.06 0.00 0.00 31.60 32.30 1nvl h MET 70 CO -0.27 -0.82 -0.50 0.87 1.06 0.00 0.00 176.91 177.26 1nvl h LYS 71 N -1.28 -0.20 -0.05 1.72 6.56 -0.56 0.29 116.57 123.05 1nvl h LYS 71 Ca -0.13 0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.40 1nvl h LYS 71 Cb 0.97 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.67 1nvl h LYS 71 CO 0.21 -0.13 -0.30 0.00 -2.06 0.00 0.00 179.45 177.17 1nvl h ALA 72 N 0.00 1.40 0.67 3.86 0.00 -1.02 0.48 119.26 124.64 1nvl h ALA 72 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1nvl h ALA 72 Cb 0.45 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1nvl h ALA 72 CO -0.64 0.44 -0.32 -0.92 0.00 0.00 0.00 179.25 177.80 1nvl h TYR 73 N 0.09 -0.83 0.16 0.00 3.20 0.29 0.65 116.97 120.52 1nvl h TYR 73 Ca 0.01 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1nvl h TYR 73 Cb 0.59 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1nvl h TYR 73 CO 0.00 -0.52 -0.30 0.82 -1.64 0.00 0.00 178.16 176.53 1nvl h ILE 74 N -0.91 0.36 -0.65 1.81 2.04 -0.40 0.19 117.51 119.95 1nvl h ILE 74 Ca -0.09 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.90 1nvl h ILE 74 Cb 0.69 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1nvl h ILE 74 CO 0.15 0.00 0.44 0.44 0.00 0.00 0.00 178.15 179.18 1nvl h ASP 75 N -0.54 0.30 -0.06 1.72 5.19 -0.82 0.27 116.42 122.47 1nvl h ASP 75 Ca 0.02 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 1nvl h ASP 75 Cb 0.55 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1nvl h ASP 75 CO -0.15 0.17 -0.14 0.50 -3.12 0.00 0.00 179.24 176.49 1nvl h LYS 76 N 0.32 0.21 -0.28 3.56 1.63 0.76 0.21 116.57 122.98 1nvl h LYS 76 Ca 0.31 -0.14 0.06 0.00 -0.85 0.00 0.00 60.65 60.04 1nvl h LYS 76 Cb 0.78 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.35 1nvl h LYS 76 CO -0.08 0.73 -0.37 0.28 -3.45 0.00 0.00 179.45 176.56 1nvl h VAL 77 N -0.29 0.19 -0.37 2.00 2.07 0.23 0.40 116.25 120.48 1nvl h VAL 77 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1nvl h VAL 77 Cb 0.73 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 1nvl h VAL 77 CO 0.03 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.12 1nvl h GLU 78 N -0.36 -0.10 -0.20 1.57 3.07 -0.51 0.16 114.58 118.21 1nvl h GLU 78 Ca 0.12 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.03 1nvl h GLU 78 Cb 0.57 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 1nvl h GLU 78 CO -0.47 -0.07 -0.05 0.93 -1.40 0.00 0.00 179.01 177.95 1nvl h GLU 79 N -0.11 0.00 -0.50 2.33 4.39 0.18 -1.94 114.58 118.93 1nvl h GLU 79 Ca 0.19 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.99 1nvl h GLU 79 Cb 0.39 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.94 1nvl h GLU 79 CO -0.44 0.00 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.16 1nvl h LEU 80 N 0.00 -0.63 -0.14 1.33 3.38 0.58 0.73 115.31 120.57 1nvl h LEU 80 Ca 0.10 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.27 1nvl h LEU 80 Cb 0.14 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 1nvl h LEU 80 CO -0.20 -0.21 -0.49 0.50 0.09 0.00 0.00 178.44 178.12 1nvl h LYS 81 N -0.06 -0.53 -0.72 1.13 3.64 0.01 0.40 116.57 120.45 1nvl h LYS 81 Ca 0.24 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.80 1nvl h LYS 81 Cb 0.43 0.12 -0.14 0.00 -0.41 0.00 0.00 32.23 32.23 1nvl h LYS 81 CO -0.55 -0.35 -0.20 0.87 -2.27 0.00 0.00 179.45 176.95 1nvl h LYS 82 N -0.54 -0.02 0.16 1.90 1.57 -0.33 0.56 116.57 119.87 1nvl h LYS 82 Ca 0.05 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1nvl h LYS 82 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1nvl h LYS 82 CO -0.43 -0.01 -0.17 0.87 -0.57 0.00 0.00 179.45 179.14 1nvl h LYS 83 N -0.02 -0.35 0.00 3.15 1.57 -0.21 -3.39 116.57 117.33 1nvl h LYS 83 Ca 0.34 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1nvl h LYS 83 Cb 0.54 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1nvl h LYS 83 CO -0.75 -0.23 0.00 0.66 -0.57 0.00 0.00 179.45 178.56 1nvl n TYR 84 N -5.29 0.00 0.00 -1.35 4.01 0.05 -5.10 117.16 109.48 1nvl n TYR 84 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1nvl n TYR 84 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 2.70 1.69 0.76 2.72 0.00 0.19 -5.02 105.19 108.24 1nvl n GLY 85 Ca 0.00 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.70 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83