#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hnu n ARG 8 N 0.00 0.00 -2.25 7.34 1.85 -1.25 -4.95 116.66 117.40 2hnu n ARG 8 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 2hnu n ARG 8 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2hnu n ARG 8 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2hnu s THR 9 N -2.00 3.36 1.03 8.89 2.01 -1.24 0.09 115.64 127.78 2hnu s THR 9 Ca 0.00 0.80 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 2hnu s THR 9 Cb 0.00 -3.31 0.21 0.00 0.01 0.00 0.00 72.50 69.41 2hnu s THR 9 CO 0.00 -0.22 1.20 0.00 -0.69 0.00 0.00 174.62 174.90 2hnu n LEU 11 N -4.11 5.19 -4.79 0.00 4.77 -1.26 -4.61 117.00 112.19 2hnu n LEU 11 Ca 0.12 1.00 -0.32 0.00 -0.03 0.00 0.00 56.01 56.78 2hnu n LEU 11 Cb 0.59 -1.56 0.04 0.00 -2.33 0.00 0.00 43.42 40.17 2hnu n LEU 11 CO 0.49 -0.62 0.72 -2.84 -1.33 0.00 0.00 177.39 173.80 2hnu s PRO 12 N -2.75 2.93 0.19 3.23 0.02 -1.26 -1.67 135.00 135.69 2hnu s PRO 12 Ca 0.69 1.22 -0.23 0.00 0.02 0.00 0.00 61.00 62.71 2hnu s PRO 12 Cb -0.43 -1.98 0.06 0.00 0.02 0.00 0.00 34.50 32.17 2hnu s PRO 12 CO 0.51 -1.13 0.94 0.00 -0.33 0.00 0.00 177.00 176.99 2hnu n GLY 14 N -0.52 -2.03 3.61 0.00 0.00 -1.22 -0.75 105.19 104.27 2hnu n GLY 14 Ca -0.05 -1.36 -0.61 0.00 0.00 0.00 0.00 46.02 44.00 2hnu n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hnu n PRO 15 N -2.14 0.25 -0.97 1.61 -0.02 -1.26 0.21 135.00 132.67 2hnu n PRO 15 Ca 0.00 0.09 -0.02 0.00 -2.02 0.00 0.00 63.50 61.55 2hnu n PRO 15 Cb 0.24 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 2hnu n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hnu n GLY 16 N 2.68 0.19 2.45 -1.23 0.00 -1.26 -1.21 105.19 106.81 2hnu n GLY 16 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 2hnu n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hnu n GLY 17 N 0.77 1.16 0.00 -0.02 0.00 0.13 -4.86 105.19 102.38 2hnu n GLY 17 Ca -0.02 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.95 2hnu n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hnu n LYS 18 N -2.54 0.31 -3.12 1.61 4.76 -0.35 -4.33 118.16 114.50 2hnu n LYS 18 Ca -0.18 -0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.07 2hnu n LYS 18 Cb 0.59 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.30 2hnu n LYS 18 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2hnu s GLY 19 N -2.70 1.90 0.03 0.72 0.00 0.07 -4.68 107.32 102.66 2hnu s GLY 19 Ca 0.24 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 43.12 2hnu s GLY 19 CO 0.48 -1.61 -0.06 0.50 0.00 0.00 0.00 173.10 172.41 2hnu s ARG 20 N -4.45 0.42 0.02 2.90 1.81 0.79 -1.34 118.95 119.10 2hnu s ARG 20 Ca 0.56 -0.57 -0.30 0.00 -1.72 0.00 0.00 55.73 53.70 2hnu s ARG 20 Cb -0.07 -0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.19 2hnu s ARG 20 CO 0.34 0.04 1.01 0.00 -0.68 0.00 0.00 175.30 176.01 2hnu n PHE 22 N 3.82 0.00 -3.66 0.00 3.01 -0.20 -4.51 117.46 115.92 2hnu n PHE 22 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 2hnu n PHE 22 Cb 0.50 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 2hnu n PHE 22 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2hnu s GLY 23 N -1.51 -0.36 0.42 1.37 0.00 -1.20 -3.02 107.32 103.01 2hnu s GLY 23 Ca 0.08 0.54 0.22 0.00 0.00 0.00 0.00 44.72 45.56 2hnu s GLY 23 CO 0.29 0.09 1.75 -2.55 0.00 0.00 0.00 173.10 172.68 2hnu h PRO 24 N 2.00 0.30 -0.44 2.90 0.11 -1.76 -2.59 132.00 132.52 2hnu h PRO 24 Ca -0.29 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.50 2hnu h PRO 24 Cb 1.21 -0.07 -0.38 0.00 0.11 0.00 0.00 31.00 31.87 2hnu h PRO 24 CO 0.28 0.20 -0.99 -1.13 -0.21 0.00 0.00 178.00 176.14 2hnu n SER 25 N -4.60 2.45 -3.77 -2.05 3.41 -1.26 -2.35 113.62 105.45 2hnu n SER 25 Ca 0.27 -2.62 -0.23 0.00 -0.26 0.00 0.00 58.87 56.03 2hnu n SER 25 Cb 1.00 -0.42 -0.18 0.00 -0.26 0.00 0.00 64.21 64.36 2hnu n SER 25 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hnu s ILE 26 N -3.54 0.39 -0.12 -1.33 1.01 -0.98 -0.16 121.20 116.47 2hnu s ILE 26 Ca 0.35 0.09 0.02 0.00 0.00 0.00 0.00 60.65 61.11 2hnu s ILE 26 Cb 0.36 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 42.28 2hnu s ILE 26 CO -0.03 0.25 -0.17 0.00 0.00 0.00 0.00 174.94 174.99 2hnu s GLY 29 N -2.68 -0.46 0.55 0.00 0.00 -0.04 -0.15 107.32 104.55 2hnu s GLY 29 Ca 0.06 1.28 0.23 0.00 0.00 0.00 0.00 44.72 46.29 2hnu s GLY 29 CO -0.04 0.99 2.20 -0.55 0.00 0.00 0.00 173.10 175.71 2hnu h ASP 30 N 3.94 0.00 -0.33 1.64 3.32 -1.85 0.36 116.42 123.50 2hnu h ASP 30 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2hnu h ASP 30 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2hnu h ASP 30 CO 0.29 0.01 0.00 -0.62 -1.72 0.00 0.00 179.24 177.20 2hnu n GLU 31 N -4.18 2.38 0.00 3.56 1.02 -1.26 -4.56 120.64 117.60 2hnu n GLU 31 Ca -0.03 -2.17 0.00 0.00 -0.02 0.00 0.00 57.16 54.94 2hnu n GLU 31 Cb 0.09 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2hnu n GLU 31 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2hnu n LEU 32 N 1.38 1.81 0.00 -4.62 4.77 -0.46 -5.14 117.00 114.73 2hnu n LEU 32 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2hnu n LEU 32 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2hnu n LEU 32 CO 0.15 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2hnu n GLY 33 N 3.10 -0.24 3.07 -0.72 0.00 0.11 -4.88 105.19 105.63 2hnu n GLY 33 Ca 0.00 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 2hnu n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnu s PHE 35 N 0.28 3.07 -0.34 0.00 0.40 0.20 -4.97 117.98 116.62 2hnu s PHE 35 Ca -0.07 -0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 2hnu s PHE 35 Cb -0.12 -2.22 0.08 0.00 0.51 0.00 0.00 43.02 41.27 2hnu s PHE 35 CO 0.02 -0.42 0.07 0.08 0.70 0.00 0.00 175.22 175.67 2hnu s VAL 36 N 1.58 2.92 -0.17 -0.44 1.01 -1.26 -1.14 120.40 122.90 2hnu s VAL 36 Ca 0.06 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.27 2hnu s VAL 36 Cb -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2hnu s VAL 36 CO 0.02 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.37 2hnu n GLY 37 N 4.54 0.52 4.02 4.51 0.00 0.77 -5.02 105.19 114.54 2hnu n GLY 37 Ca -0.07 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 2hnu n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hnu s THR 38 N -2.02 2.51 0.42 2.61 -4.23 -1.26 -4.98 115.64 108.68 2hnu s THR 38 Ca 0.00 -1.02 0.12 0.00 -1.18 0.00 0.00 61.69 59.61 2hnu s THR 38 Cb 0.00 -2.53 0.32 0.00 1.34 0.00 0.00 72.50 71.63 2hnu s THR 38 CO 0.00 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.06 2hnu h ALA 39 N 0.41 1.94 0.00 3.99 0.00 -1.98 -0.81 119.26 122.80 2hnu h ALA 39 Ca -0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2hnu h ALA 39 Cb 1.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2hnu h ALA 39 CO 0.43 -0.07 -0.11 0.93 0.00 0.00 0.00 179.25 180.44 2hnu h GLU 40 N 0.48 0.00 -0.31 0.00 3.07 -1.96 -2.74 114.58 113.13 2hnu h GLU 40 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 2hnu h GLU 40 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2hnu h GLU 40 CO -0.08 0.11 0.00 0.00 -1.40 0.00 0.00 179.01 177.63 2hnu n ALA 41 N -2.41 2.45 -0.25 3.43 0.00 -0.32 -3.40 120.51 120.03 2hnu n ALA 41 Ca -0.02 -0.83 -0.06 0.00 0.00 0.00 0.00 53.44 52.52 2hnu n ALA 41 Cb 0.19 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 18.75 2hnu n ALA 41 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hnu h LEU 42 N 3.79 0.89 -1.86 0.00 3.38 -1.45 -2.40 115.31 117.65 2hnu h LEU 42 Ca 0.00 -0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.07 2hnu h LEU 42 Cb 0.83 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2hnu h LEU 42 CO 0.00 0.76 0.57 -0.09 0.09 0.00 0.00 178.44 179.77 2hnu h ARG 43 N 0.95 0.11 0.00 1.13 9.65 -1.80 -0.71 114.38 123.71 2hnu h ARG 43 Ca 0.24 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2hnu h ARG 43 Cb 0.10 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2hnu h ARG 43 CO -0.03 0.07 0.00 0.00 2.80 0.00 0.00 179.97 182.81 2hnu h GLN 45 N 0.00 0.00 0.00 0.00 1.08 -0.72 -3.01 115.11 112.46 2hnu h GLN 45 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2hnu h GLN 45 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2hnu h GLN 45 CO 0.00 0.18 0.00 0.93 -0.95 0.00 0.00 178.83 178.99 2hnu h GLU 46 N 0.00 0.00 0.00 1.46 5.08 -1.46 -2.62 114.58 117.05 2hnu h GLU 46 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2hnu h GLU 46 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2hnu h GLU 46 CO 0.02 0.00 -0.30 1.49 -1.00 0.00 0.00 179.01 179.22 2hnu h GLU 47 N 0.00 0.00 0.00 2.33 4.57 -1.73 -2.22 114.58 117.53 2hnu h GLU 47 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2hnu h GLU 47 Cb 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2hnu h GLU 47 CO 0.00 0.30 0.00 0.09 -1.18 0.00 0.00 179.01 178.22 2hnu n ASN 48 N -3.93 0.00 -0.55 1.04 5.03 -0.99 -1.38 115.26 114.49 2hnu n ASN 48 Ca -0.02 0.42 0.05 0.00 0.87 0.00 0.00 54.58 55.91 2hnu n ASN 48 Cb 0.37 -0.44 0.12 0.00 -1.02 0.00 0.00 39.78 38.81 2hnu n ASN 48 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2hnu n TYR 49 N -1.44 0.32 -3.74 3.10 4.02 -0.83 -4.93 117.16 113.66 2hnu n TYR 49 Ca 0.02 -0.37 -0.37 0.00 -0.01 0.00 0.00 57.90 57.16 2hnu n TYR 49 Cb 0.06 -0.02 -0.12 0.00 -0.02 0.00 0.00 39.34 39.23 2hnu n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2hnu s LEU 50 N -0.96 3.86 0.45 7.72 1.43 -0.48 -4.97 118.68 125.73 2hnu s LEU 50 Ca 0.19 -0.62 0.31 0.00 -1.03 0.00 0.00 54.13 52.98 2hnu s LEU 50 Cb 0.11 -1.91 1.64 0.00 0.03 0.00 0.00 46.19 46.05 2hnu s LEU 50 CO 0.14 -0.18 1.94 1.55 0.23 0.00 0.00 176.35 180.04 2hnu h PRO 51 N 8.26 0.00 -6.35 1.29 0.13 -1.92 -3.42 132.00 130.00 2hnu h PRO 51 Ca -0.32 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.27 2hnu h PRO 51 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 2hnu h PRO 51 CO 0.60 0.00 0.29 0.45 -0.23 0.00 0.00 178.00 179.12 2hnu s SER 52 N -4.52 7.30 0.06 1.44 0.15 -1.26 -5.02 113.70 111.84 2hnu s SER 52 Ca -0.03 1.56 -0.31 0.00 0.70 0.00 0.00 55.95 57.88 2hnu s SER 52 Cb 0.09 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2hnu s SER 52 CO 0.30 -0.18 1.18 -2.84 1.20 0.00 0.00 173.24 172.90 2hnu s PRO 53 N 0.73 4.45 0.22 5.44 0.02 -1.26 -5.03 135.00 139.56 2hnu s PRO 53 Ca 0.47 1.74 0.11 0.00 0.02 0.00 0.00 61.00 63.34 2hnu s PRO 53 Cb -0.21 -3.35 -0.05 0.00 0.02 0.00 0.00 34.50 30.91 2hnu s PRO 53 CO 0.26 -0.23 -0.20 0.00 -0.33 0.00 0.00 177.00 176.50 2hnu s GLN 55 N -3.00 0.26 0.31 0.00 0.74 0.11 -4.83 119.66 113.25 2hnu s GLN 55 Ca 0.25 0.44 0.10 0.00 0.05 0.00 0.00 55.36 56.19 2hnu s GLN 55 Cb -0.07 0.03 -0.05 0.00 1.10 0.00 0.00 33.01 34.02 2hnu s GLN 55 CO 0.13 -0.09 -0.04 -1.12 -0.55 0.00 0.00 175.29 173.62 2hnu s SER 56 N 0.62 4.14 0.31 6.67 0.01 -1.26 -3.55 113.70 120.64 2hnu s SER 56 Ca -0.04 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2hnu s SER 56 Cb -0.05 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.62 2hnu s SER 56 CO -0.04 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2hnu n GLY 57 N -0.86 -3.17 3.44 3.44 0.00 -1.26 -4.88 105.19 101.90 2hnu n GLY 57 Ca -0.05 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 2hnu n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hnu s GLN 58 N -4.04 1.58 -0.07 1.61 -1.52 -1.26 -4.95 119.66 111.01 2hnu s GLN 58 Ca 0.00 -1.69 -0.05 0.00 -1.95 0.00 0.00 55.36 51.67 2hnu s GLN 58 Cb 0.00 -1.66 0.02 0.00 -0.22 0.00 0.00 33.01 31.15 2hnu s GLN 58 CO 0.00 0.32 0.10 1.17 -0.25 0.00 0.00 175.29 176.63 2hnu n LYS 59 N -0.40 -2.55 -0.89 2.91 4.81 -1.26 -3.84 118.16 116.93 2hnu n LYS 59 Ca -0.07 2.13 -0.30 0.00 -0.87 0.00 0.00 58.31 59.20 2hnu n LYS 59 Cb 0.59 -3.06 0.16 0.00 0.02 0.00 0.00 35.03 32.73 2hnu n LYS 59 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2hnu s PRO 60 N -0.94 1.09 0.17 1.64 0.02 -1.26 -2.40 135.00 133.32 2hnu s PRO 60 Ca -0.12 1.25 -0.23 0.00 0.02 0.00 0.00 61.00 61.93 2hnu s PRO 60 Cb 0.01 -1.76 0.06 0.00 0.02 0.00 0.00 34.50 32.83 2hnu s PRO 60 CO 0.31 -2.48 0.72 0.00 -0.33 0.00 0.00 177.00 175.21 2hnu n GLY 62 N -0.40 1.26 3.38 0.00 0.00 -1.26 -2.19 105.19 105.99 2hnu n GLY 62 Ca -0.11 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2hnu n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hnu s SER 63 N -4.00 5.83 -1.66 1.61 1.04 -1.26 -4.50 113.70 110.76 2hnu s SER 63 Ca 0.00 -1.04 -0.01 0.00 0.48 0.00 0.00 55.95 55.38 2hnu s SER 63 Cb 0.00 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2hnu s SER 63 CO 0.00 -0.43 0.13 0.61 0.98 0.00 0.00 173.24 174.53 2hnu n GLY 64 N 5.03 -0.50 3.51 7.32 0.00 -1.26 -4.92 105.19 114.37 2hnu n GLY 64 Ca -0.11 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2hnu n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hnu s GLY 65 N -2.19 2.12 0.04 -0.02 0.00 -0.93 -4.64 107.32 101.70 2hnu s GLY 65 Ca 0.07 -2.07 0.03 0.00 0.00 0.00 0.00 44.72 42.75 2hnu s GLY 65 CO 0.08 -1.95 -0.09 0.50 0.00 0.00 0.00 173.10 171.64 2hnu s ARG 66 N -3.71 0.61 0.09 2.90 0.52 0.68 0.05 118.95 120.09 2hnu s ARG 66 Ca 0.33 -0.71 -0.32 0.00 -0.52 0.00 0.00 55.73 54.51 2hnu s ARG 66 Cb 0.05 -0.48 -0.11 0.00 0.52 0.00 0.00 34.95 34.93 2hnu s ARG 66 CO 0.15 0.10 1.84 0.00 0.02 0.00 0.00 175.30 177.42 2hnu n ALA 68 N 5.85 1.81 -2.88 0.00 0.00 0.02 -4.24 120.51 121.06 2hnu n ALA 68 Ca 0.19 -0.53 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 2hnu n ALA 68 Cb 0.36 0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 2hnu n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hnu s ALA 69 N -2.20 0.32 -0.46 0.00 0.00 -1.13 -3.92 121.76 114.37 2hnu s ALA 69 Ca -0.04 -1.22 -0.33 0.00 0.00 0.00 0.00 51.96 50.37 2hnu s ALA 69 Cb 0.02 1.17 -0.12 0.00 0.00 0.00 0.00 23.12 24.19 2hnu s ALA 69 CO 0.33 -0.78 2.29 0.00 0.00 0.00 0.00 175.76 177.61 2hnu n ALA 70 N -0.39 0.93 -1.28 0.00 0.00 -1.26 -0.43 120.51 118.08 2hnu n ALA 70 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 2hnu n ALA 70 Cb 0.63 -2.62 -0.04 0.00 0.00 0.00 0.00 19.45 17.42 2hnu n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hnu n GLY 71 N 6.46 1.10 3.12 0.00 0.00 0.28 -4.83 105.19 111.32 2hnu n GLY 71 Ca 0.44 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2hnu n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hnu s ILE 72 N -2.32 1.69 -0.14 -0.61 1.01 0.43 -1.12 121.20 120.15 2hnu s ILE 72 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 2hnu s ILE 72 Cb 0.00 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2hnu s ILE 72 CO 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 174.94 175.40 2hnu s SER 75 N -1.98 3.34 0.15 0.00 1.04 0.98 -0.23 113.70 116.99 2hnu s SER 75 Ca -0.03 -1.64 0.10 0.00 0.48 0.00 0.00 55.95 54.86 2hnu s SER 75 Cb -0.06 0.45 0.55 0.00 0.10 0.00 0.00 66.02 67.06 2hnu s SER 75 CO -0.00 -0.87 1.31 -2.65 0.98 0.00 0.00 173.24 172.01 2hnu n PRO 76 N -1.04 0.06 -0.09 4.02 -0.02 -1.17 -2.74 135.00 134.02 2hnu n PRO 76 Ca -0.11 0.56 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 2hnu n PRO 76 Cb 0.66 -1.71 0.03 0.00 -0.02 0.00 0.00 33.50 32.46 2hnu n PRO 76 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2hnu n ASP 77 N -1.85 1.27 0.00 2.55 5.68 -1.26 -4.09 116.55 118.85 2hnu n ASP 77 Ca -0.01 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 2hnu n ASP 77 Cb 0.02 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 2hnu n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hnu n GLY 78 N -0.51 0.63 2.98 6.12 0.00 -1.11 -5.15 105.19 108.15 2hnu n GLY 78 Ca 0.04 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 2hnu n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnu s HIS 80 N -1.09 -0.21 0.17 0.00 -3.43 0.97 -4.97 115.29 106.73 2hnu s HIS 80 Ca -0.12 0.26 -0.32 0.00 -0.80 0.00 0.00 55.06 54.08 2hnu s HIS 80 Cb -0.07 0.13 -0.10 0.00 -1.43 0.00 0.00 32.58 31.11 2hnu s HIS 80 CO -0.00 -0.45 1.59 -1.21 -2.00 0.00 0.00 174.74 172.66 2hnu s GLU 81 N -1.73 4.20 -0.18 -0.38 2.02 -1.26 -1.06 118.70 120.31 2hnu s GLU 81 Ca -0.10 2.39 -0.04 0.00 0.02 0.00 0.00 54.97 57.24 2hnu s GLU 81 Cb -0.03 -3.15 0.08 0.00 0.10 0.00 0.00 34.13 31.13 2hnu s GLU 81 CO 0.02 -0.63 0.20 0.34 0.02 0.00 0.00 175.26 175.22 2hnu s ASP 82 N 1.16 1.32 0.52 -0.19 3.68 -0.27 -4.86 116.67 118.02 2hnu s ASP 82 Ca 0.71 -0.13 0.27 0.00 2.13 0.00 0.00 52.55 55.52 2hnu s ASP 82 Cb -0.45 0.33 1.39 0.00 -1.45 0.00 0.00 42.92 42.75 2hnu s ASP 82 CO 0.31 -0.31 1.94 1.55 0.13 0.00 0.00 175.17 178.79 2hnu h PRO 83 N 8.33 0.05 0.00 4.34 0.13 -1.94 0.21 132.00 143.12 2hnu h PRO 83 Ca -0.16 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2hnu h PRO 83 Cb 1.15 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2hnu h PRO 83 CO 0.25 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.06 2hnu n ALA 84 N -2.66 1.78 0.04 -0.56 0.00 -1.26 -1.34 120.51 116.51 2hnu n ALA 84 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.55 2hnu n ALA 84 Cb 0.75 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 19.12 2hnu n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hnu s ASP 86 N -0.68 6.31 0.00 0.00 1.01 -0.45 0.10 116.67 122.97 2hnu s ASP 86 Ca 0.06 1.83 0.07 0.00 0.71 0.00 0.00 52.55 55.21 2hnu s ASP 86 Cb 0.03 -2.54 0.40 0.00 1.01 0.00 0.00 42.92 41.82 2hnu s ASP 86 CO 0.05 -0.80 0.86 -2.65 0.21 0.00 0.00 175.17 172.84