#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b22 s GLU 17 N 0.00 1.45 -0.26 5.31 0.41 -1.26 -5.12 118.70 119.23 1b22 s GLU 17 Ca 0.00 -0.78 -0.05 0.00 -0.41 0.00 0.00 54.97 53.74 1b22 s GLU 17 Cb 0.00 -1.46 0.01 0.00 -1.78 0.00 0.00 34.13 30.89 1b22 s GLU 17 CO 0.00 0.39 0.01 -1.21 -0.49 0.00 0.00 175.26 173.96 1b22 s GLU 18 N -0.74 3.13 -0.34 1.61 2.02 -1.26 -4.96 118.70 118.16 1b22 s GLU 18 Ca 0.07 -0.81 0.16 0.00 0.02 0.00 0.00 54.97 54.41 1b22 s GLU 18 Cb -0.08 -3.18 0.44 0.00 0.10 0.00 0.00 34.13 31.41 1b22 s GLU 18 CO 0.00 -0.35 1.10 0.43 0.02 0.00 0.00 175.26 176.46 1b22 n SER 19 N 4.80 0.38 -3.30 -0.19 7.64 -1.26 -4.90 113.62 116.80 1b22 n SER 19 Ca -0.16 -2.56 -0.09 0.00 1.01 0.00 0.00 58.87 57.07 1b22 n SER 19 Cb 0.49 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 1b22 n SER 19 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1b22 s PHE 20 N -2.10 -0.99 0.00 1.43 5.36 -1.26 -4.92 117.98 115.50 1b22 s PHE 20 Ca 0.25 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.39 1b22 s PHE 20 Cb 0.43 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 1b22 s PHE 20 CO -0.01 -1.00 0.00 0.41 -1.46 0.00 0.00 175.22 173.16 1b22 n GLY 21 N 5.12 3.25 3.72 13.12 0.00 -1.26 -4.91 105.19 124.23 1b22 n GLY 21 Ca 0.03 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1b22 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b22 s PRO 22 N 0.00 4.47 0.09 1.61 0.04 -1.26 -4.58 135.00 135.37 1b22 s PRO 22 Ca 0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1b22 s PRO 22 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1b22 s PRO 22 CO 0.00 -0.18 0.00 1.04 0.04 0.00 0.00 177.00 177.90 1b22 n GLN 23 N 3.57 0.00 -0.56 4.56 6.02 -1.26 -4.88 117.38 124.83 1b22 n GLN 23 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.90 1b22 n GLN 23 Cb 0.47 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.71 1b22 n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1b22 n PRO 24 N -2.86 1.60 0.06 -1.09 -0.04 -1.26 -0.02 135.00 131.39 1b22 n PRO 24 Ca 0.00 -1.23 0.13 0.00 -0.04 0.00 0.00 63.50 62.36 1b22 n PRO 24 Cb 0.00 -2.34 0.49 0.00 -0.04 0.00 0.00 33.50 31.60 1b22 n PRO 24 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1b22 n ILE 25 N 4.39 0.43 -0.28 0.52 -5.35 -1.26 -4.15 119.36 113.65 1b22 n ILE 25 Ca 0.34 -0.08 -0.04 0.00 -0.27 0.00 0.00 62.75 62.70 1b22 n ILE 25 Cb 0.10 -0.65 -0.02 0.00 -1.74 0.00 0.00 39.64 37.32 1b22 n ILE 25 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1b22 n SER 26 N -1.90 -0.61 0.16 7.28 2.88 -1.25 0.12 113.62 120.30 1b22 n SER 26 Ca 0.06 1.23 0.04 0.00 -1.33 0.00 0.00 58.87 58.87 1b22 n SER 26 Cb 0.35 -0.21 0.12 0.00 -0.75 0.00 0.00 64.21 63.72 1b22 n SER 26 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1b22 h ARG 27 N 0.00 0.00 0.10 -1.46 3.08 -1.87 -2.77 114.38 111.46 1b22 h ARG 27 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1b22 h ARG 27 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1b22 h ARG 27 CO -0.67 0.42 -0.05 1.25 -1.07 0.00 0.00 179.97 179.85 1b22 h LEU 28 N 0.00 -0.11 0.00 3.04 5.85 0.77 -2.86 115.31 122.00 1b22 h LEU 28 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1b22 h LEU 28 Cb 1.23 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1b22 h LEU 28 CO 0.05 -0.03 -0.65 1.05 -0.34 0.00 0.00 178.44 178.52 1b22 h GLU 29 N -0.23 0.00 0.00 1.25 -0.00 -1.43 -2.45 114.58 111.72 1b22 h GLU 29 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.21 1b22 h GLU 29 Cb 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.83 1b22 h GLU 29 CO 0.02 0.25 -0.77 -0.56 -0.00 0.00 0.00 179.01 177.95 1b22 h GLN 30 N 0.00 0.00 0.00 1.06 3.07 -1.60 -3.12 115.11 114.52 1b22 h GLN 30 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1b22 h GLN 30 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1b22 h GLN 30 CO 0.03 0.56 0.00 0.00 0.09 0.00 0.00 178.83 179.51 1b22 n GLY 32 N 1.12 0.45 0.00 0.00 0.00 -1.18 -5.07 105.19 100.51 1b22 n GLY 32 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1b22 n GLY 32 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1b22 n ILE 33 N 0.00 0.00 -0.68 -0.61 0.13 -0.92 -4.95 119.36 112.33 1b22 n ILE 33 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1b22 n ILE 33 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1b22 n ILE 33 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1b22 n ASN 34 N 0.00 0.00 -0.13 9.51 4.13 -1.26 -4.80 115.26 122.71 1b22 n ASN 34 Ca 0.00 0.00 0.26 0.00 1.68 0.00 0.00 54.58 56.52 1b22 n ASN 34 Cb 0.00 0.00 0.56 0.00 -1.54 0.00 0.00 39.78 38.80 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1b22 h ALA 35 N -1.59 2.72 -0.04 5.41 0.00 -1.97 -2.81 119.26 120.98 1b22 h ALA 35 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b22 h ALA 35 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1b22 h ALA 35 CO 0.00 -1.41 -0.04 -0.91 0.00 0.00 0.00 179.25 176.89 1b22 h ASN 36 N 0.00 -0.14 -0.32 0.00 4.21 -1.88 -2.08 115.58 115.36 1b22 h ASN 36 Ca 0.41 0.02 0.05 0.00 1.21 0.00 0.00 56.30 57.98 1b22 h ASN 36 Cb 2.34 0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 39.55 1b22 h ASN 36 CO -0.00 -0.02 -0.14 -0.67 -1.29 0.00 0.00 177.43 175.31 1b22 n ASP 37 N -3.00 -0.23 0.00 5.81 -0.08 -1.06 0.24 116.55 118.22 1b22 n ASP 37 Ca -0.00 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1b22 n ASP 37 Cb 0.02 -0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.36 1b22 n ASP 37 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1b22 n VAL 38 N -4.46 0.00 0.03 5.18 0.31 -0.79 -2.82 118.33 115.78 1b22 n VAL 38 Ca 0.03 1.42 -0.03 0.00 -0.01 0.00 0.00 64.34 65.75 1b22 n VAL 38 Cb 0.12 -2.38 -0.09 0.00 -0.91 0.00 0.00 33.84 30.58 1b22 n VAL 38 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1b22 h LYS 39 N 0.00 0.00 0.13 5.55 1.57 -1.04 -2.97 116.57 119.81 1b22 h LYS 39 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1b22 h LYS 39 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1b22 h LYS 39 CO 0.00 0.45 -0.06 0.87 -0.57 0.00 0.00 179.45 180.14 1b22 h LYS 40 N 0.00 -0.16 0.00 3.15 1.79 0.29 -3.03 116.57 118.61 1b22 h LYS 40 Ca -0.16 0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.09 1b22 h LYS 40 Cb 1.70 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 32.35 1b22 h LYS 40 CO 0.07 0.31 -1.22 1.37 -1.08 0.00 0.00 179.45 178.90 1b22 h LEU 41 N -0.82 0.00 0.00 2.94 8.10 -1.35 -3.31 115.31 120.86 1b22 h LEU 41 Ca -0.02 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.90 1b22 h LEU 41 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.76 1b22 h LEU 41 CO 0.03 1.00 -0.85 -0.08 -4.11 0.00 0.00 178.44 174.42 1b22 h GLU 42 N 0.00 0.00 -0.02 0.17 4.81 -1.39 0.17 114.58 118.33 1b22 h GLU 42 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1b22 h GLU 42 Cb 1.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.22 1b22 h GLU 42 CO 0.11 0.21 0.00 0.39 -0.73 0.00 0.00 179.01 178.99 1b22 n GLU 43 N -2.94 1.05 0.00 1.92 -0.58 -1.14 -4.58 120.64 114.37 1b22 n GLU 43 Ca -0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1b22 n GLU 43 Cb 0.68 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 1b22 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b22 n ALA 44 N -0.59 0.00 0.00 0.62 0.00 -1.24 -5.03 120.51 114.26 1b22 n ALA 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1b22 n ALA 44 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1b22 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b22 n GLY 45 N 0.00 1.05 0.00 0.00 0.00 0.59 -4.98 105.19 101.86 1b22 n GLY 45 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1b22 n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b22 n PHE 46 N -0.04 0.00 -0.50 1.61 3.01 -1.25 -4.53 117.46 115.76 1b22 n PHE 46 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 1b22 n PHE 46 Cb 0.00 -0.05 -0.12 0.00 -0.01 0.00 0.00 39.48 39.30 1b22 n PHE 46 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1b22 n HIS 47 N -1.05 0.03 0.00 1.38 1.44 -1.26 -2.77 115.22 112.99 1b22 n HIS 47 Ca 0.12 -0.52 0.00 0.00 -2.01 0.00 0.00 57.72 55.31 1b22 n HIS 47 Cb 0.08 -0.76 0.00 0.00 0.12 0.00 0.00 29.99 29.42 1b22 n HIS 47 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 1b22 n THR 48 N 6.94 0.00 -0.79 0.61 5.66 -1.26 -3.93 114.28 121.50 1b22 n THR 48 Ca 0.46 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.46 1b22 n THR 48 Cb 0.41 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1b22 n THR 48 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1b22 n VAL 49 N 0.00 0.00 1.27 1.08 0.31 0.97 -4.73 118.33 117.23 1b22 n VAL 49 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1b22 n VAL 49 Cb 0.00 -0.79 0.41 0.00 -0.91 0.00 0.00 33.84 32.55 1b22 n VAL 49 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1b22 n GLU 50 N -0.07 1.78 -0.10 5.55 2.13 -1.11 -3.75 120.64 125.06 1b22 n GLU 50 Ca 0.00 -1.15 0.11 0.00 0.66 0.00 0.00 57.16 56.78 1b22 n GLU 50 Cb 0.31 -1.44 0.33 0.00 0.27 0.00 0.00 31.44 30.91 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1b22 n ALA 51 N 0.38 2.50 0.00 4.31 0.00 -1.25 -4.38 120.51 122.07 1b22 n ALA 51 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1b22 n ALA 51 Cb 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1b22 n ALA 51 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1b22 n VAL 52 N 0.61 0.00 -3.84 0.00 0.24 -1.25 -4.91 118.33 109.18 1b22 n VAL 52 Ca 0.17 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.17 1b22 n VAL 52 Cb 0.40 -0.77 -0.15 0.00 -1.47 0.00 0.00 33.84 31.85 1b22 n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b22 s ALA 53 N -1.95 2.13 0.00 2.33 0.00 -1.26 -4.82 121.76 118.19 1b22 s ALA 53 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 49.87 1b22 s ALA 53 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1b22 s ALA 53 CO 0.00 -1.71 0.00 2.48 0.00 0.00 0.00 175.76 176.53 1b22 n TYR 54 N 4.50 -0.07 -3.60 0.00 4.11 -1.26 -4.81 117.16 116.03 1b22 n TYR 54 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.87 1b22 n TYR 54 Cb 0.41 0.01 -0.02 0.00 -0.00 0.00 0.00 39.34 39.75 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1b22 s ALA 55 N -1.17 -2.00 -0.01 -3.48 0.00 -1.26 -5.12 121.76 108.72 1b22 s ALA 55 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1b22 s ALA 55 Cb 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 1b22 s ALA 55 CO 0.00 -0.76 1.51 -1.25 0.00 0.00 0.00 175.76 175.26 1b22 s PRO 56 N -2.68 4.23 0.46 0.00 0.04 -1.26 -4.85 135.00 130.95 1b22 s PRO 56 Ca 0.10 2.09 0.37 0.00 0.04 0.00 0.00 61.00 63.60 1b22 s PRO 56 Cb 0.00 -3.69 1.51 0.00 0.04 0.00 0.00 34.50 32.36 1b22 s PRO 56 CO -0.05 -0.69 1.48 0.36 0.04 0.00 0.00 177.00 178.15 1b22 n LYS 57 N 5.91 -0.02 0.28 4.56 2.85 -1.26 0.26 118.16 130.74 1b22 n LYS 57 Ca 0.15 1.13 0.17 0.00 -1.05 0.00 0.00 58.31 58.71 1b22 n LYS 57 Cb 0.43 -2.36 0.69 0.00 -0.65 0.00 0.00 35.03 33.14 1b22 n LYS 57 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1b22 h LYS 58 N 0.00 0.00 0.00 -1.58 6.56 -1.90 -2.67 116.57 116.98 1b22 h LYS 58 Ca 0.86 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.44 1b22 h LYS 58 Cb 3.04 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 34.70 1b22 h LYS 58 CO -0.28 0.03 -0.11 1.49 -2.06 0.00 0.00 179.45 178.51 1b22 h GLU 59 N 0.00 0.00 0.27 3.15 4.57 0.33 -2.65 114.58 120.26 1b22 h GLU 59 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1b22 h GLU 59 Cb 0.51 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 1b22 h GLU 59 CO 0.00 0.17 -0.52 1.25 -1.18 0.00 0.00 179.01 178.73 1b22 h LEU 60 N -1.00 -1.52 -1.92 1.64 5.85 -1.60 0.18 115.31 116.93 1b22 h LEU 60 Ca -0.01 0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.99 1b22 h LEU 60 Cb 0.25 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1b22 h LEU 60 CO -0.01 -0.61 0.49 0.16 -0.34 0.00 0.00 178.44 178.14 1b22 h ILE 61 N -0.86 0.35 0.00 4.05 -0.00 -1.64 0.40 117.51 119.81 1b22 h ILE 61 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.83 1b22 h ILE 61 Cb 0.81 0.61 0.00 0.00 -0.00 0.00 0.00 36.82 38.24 1b22 h ILE 61 CO -0.20 0.00 0.08 -3.20 -0.00 0.00 0.00 178.15 174.83 1b22 n ASN 62 N -3.68 0.00 0.00 2.16 2.85 0.63 -1.40 115.26 115.83 1b22 n ASN 62 Ca 0.08 0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.93 1b22 n ASN 62 Cb 0.68 -0.37 0.00 0.00 1.24 0.00 0.00 39.78 41.33 1b22 n ASN 62 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1b22 n ILE 63 N -1.36 0.00 0.02 -1.44 5.41 0.14 -3.82 119.36 118.31 1b22 n ILE 63 Ca 0.00 0.81 -0.17 0.00 1.00 0.00 0.00 62.75 64.40 1b22 n ILE 63 Cb 0.08 -1.60 -0.07 0.00 -0.71 0.00 0.00 39.64 37.34 1b22 n ILE 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1b22 h LYS 64 N 0.00 0.66 0.00 0.38 1.63 -1.83 -3.47 116.57 113.94 1b22 h LYS 64 Ca 0.00 -0.62 0.00 0.00 -0.85 0.00 0.00 60.65 59.18 1b22 h LYS 64 Cb 0.00 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1b22 h LYS 64 CO 0.00 1.22 0.00 0.41 -3.45 0.00 0.00 179.45 177.63 1b22 n GLY 65 N 0.85 0.03 0.00 5.01 0.00 -1.00 -5.16 105.19 104.92 1b22 n GLY 65 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1b22 n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1b22 n ILE 66 N 0.00 0.00 0.00 -0.61 -0.00 -0.49 -4.94 119.36 113.32 1b22 n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1b22 n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1b22 n ILE 66 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1b22 n SER 67 N 0.00 0.00 0.21 4.38 2.88 -1.26 -4.54 113.62 115.29 1b22 n SER 67 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1b22 n SER 67 Cb 0.00 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.20 1b22 n SER 67 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1b22 h GLU 68 N 0.00 0.00 0.00 -1.46 5.08 -1.95 -2.80 114.58 113.44 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b22 h GLU 68 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1b22 h GLU 68 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1b22 n ALA 69 N -1.84 -0.00 0.00 3.43 0.00 -1.26 -0.61 120.51 120.22 1b22 n ALA 69 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 1b22 n ALA 69 Cb 0.06 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 1b22 n ALA 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1b22 h LYS 70 N 0.00 0.21 -0.13 0.00 2.10 -1.96 -2.72 116.57 114.08 1b22 h LYS 70 Ca 0.00 -0.36 0.02 0.00 -2.00 0.00 0.00 60.65 58.30 1b22 h LYS 70 Cb 0.00 0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.44 1b22 h LYS 70 CO 0.00 1.17 -0.21 0.00 -2.00 0.00 0.00 179.45 178.41 1b22 h ALA 71 N -0.04 -0.51 -0.69 0.07 0.00 -1.55 -0.27 119.26 116.27 1b22 h ALA 71 Ca -0.23 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1b22 h ALA 71 Cb 1.60 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 20.19 1b22 h ALA 71 CO 0.06 -0.61 0.46 0.22 0.00 0.00 0.00 179.25 179.38 1b22 h ASP 72 N -0.17 0.79 -0.38 0.00 3.58 -1.03 -1.02 116.42 118.19 1b22 h ASP 72 Ca 0.02 -0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.56 1b22 h ASP 72 Cb 0.23 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1b22 h ASP 72 CO -0.21 0.57 0.36 0.50 -2.88 0.00 0.00 179.24 177.58 1b22 h LYS 73 N 0.93 0.00 0.05 0.28 1.63 -0.77 -0.60 116.57 118.09 1b22 h LYS 73 Ca 0.26 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1b22 h LYS 73 Cb -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1b22 h LYS 73 CO -0.06 0.00 -0.02 0.82 -3.45 0.00 0.00 179.45 176.74 1b22 h ILE 74 N 0.00 0.25 0.00 2.00 1.08 0.23 -1.58 117.51 119.49 1b22 h ILE 74 Ca 0.18 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1b22 h ILE 74 Cb 0.89 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1b22 h ILE 74 CO -0.00 0.08 0.17 -0.07 -0.69 0.00 0.00 178.15 177.64 1b22 h LEU 75 N -1.01 0.00 0.00 1.44 3.38 -1.40 0.49 115.31 118.21 1b22 h LEU 75 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1b22 h LEU 75 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1b22 h LEU 75 CO 0.01 0.00 -0.41 0.00 0.09 0.00 0.00 178.44 178.13 1b22 h ALA 76 N 1.64 0.01 0.00 1.53 0.00 -1.15 -3.01 119.26 118.27 1b22 h ALA 76 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1b22 h ALA 76 Cb 0.34 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1b22 h ALA 76 CO 0.00 0.39 -0.09 0.93 0.00 0.00 0.00 179.25 180.48 1b22 h GLU 77 N -1.00 0.00 0.10 0.00 5.08 -0.96 -2.68 114.58 115.11 1b22 h GLU 77 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1b22 h GLU 77 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1b22 h GLU 77 CO -0.01 0.09 -0.05 0.00 -1.00 0.00 0.00 179.01 178.04 1b22 h ALA 78 N 1.91 -0.14 0.00 3.43 0.00 -0.18 -1.13 119.26 123.15 1b22 h ALA 78 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b22 h ALA 78 Cb 0.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1b22 h ALA 78 CO 0.01 -0.14 0.28 0.00 0.00 0.00 0.00 179.25 179.41 1b22 h ALA 79 N -1.17 1.23 0.00 0.00 0.00 -1.52 0.96 119.26 118.76 1b22 h ALA 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b22 h ALA 79 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1b22 h ALA 79 CO 0.02 -0.23 -0.97 1.17 0.00 0.00 0.00 179.25 179.24 1b22 n LYS 80 N -2.44 1.49 0.00 0.00 3.00 -1.01 -4.56 118.16 114.63 1b22 n LYS 80 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1b22 n LYS 80 Cb 0.31 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1b22 n LEU 81 N -1.53 1.80 -3.36 3.14 7.94 0.67 -4.85 117.00 120.81 1b22 n LEU 81 Ca 0.02 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.60 1b22 n LEU 81 Cb 0.29 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.20 1b22 n LEU 81 CO 0.33 0.30 0.51 0.55 -1.11 0.00 0.00 177.39 177.96 1b22 n VAL 82 N -2.16 3.76 0.00 1.96 3.14 0.30 -4.90 118.33 120.42 1b22 n VAL 82 Ca 0.00 -5.61 0.00 0.00 -2.96 0.00 0.00 64.34 55.77 1b22 n VAL 82 Cb 0.41 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 1b22 n VAL 82 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1b22 n PRO 83 N 0.32 0.00 -0.00 1.45 -0.04 -1.25 -4.51 135.00 130.98 1b22 n PRO 83 Ca 0.33 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.81 1b22 n PRO 83 Cb 0.36 -0.24 -0.02 0.00 -0.04 0.00 0.00 33.50 33.56 1b22 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b22 n MET 84 N -0.02 5.08 0.00 0.54 0.00 -1.26 -4.79 117.12 116.66 1b22 n MET 84 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1b22 n MET 84 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 33.22 32.50 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38