#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b22 n GLU 17 N 0.00 1.33 -3.94 3.49 1.02 -1.26 -5.11 120.64 116.17 1b22 n GLU 17 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1b22 n GLU 17 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1b22 n GLU 17 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1b22 s GLU 18 N 0.27 0.12 -0.30 3.49 2.02 -1.26 -5.13 118.70 117.91 1b22 s GLU 18 Ca 0.00 -0.04 -0.13 0.00 0.02 0.00 0.00 54.97 54.82 1b22 s GLU 18 Cb 0.00 -0.13 0.15 0.00 0.10 0.00 0.00 34.13 34.24 1b22 s GLU 18 CO 0.00 0.02 0.84 -1.54 0.02 0.00 0.00 175.26 174.60 1b22 s SER 19 N 0.05 -0.82 0.05 -0.19 1.04 -1.26 -5.04 113.70 107.53 1b22 s SER 19 Ca -0.00 1.14 -0.01 0.00 0.48 0.00 0.00 55.95 57.56 1b22 s SER 19 Cb -0.02 1.88 -0.00 0.00 0.10 0.00 0.00 66.02 67.98 1b22 s SER 19 CO -0.00 -0.16 -0.01 0.49 0.98 0.00 0.00 173.24 174.53 1b22 n PHE 20 N 5.06 0.00 -0.57 5.02 3.72 -1.26 -5.12 117.46 124.30 1b22 n PHE 20 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1b22 n PHE 20 Cb 0.52 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b22 n GLY 21 N 3.37 4.29 0.00 1.37 0.00 -1.26 -5.14 105.19 107.82 1b22 n GLY 21 Ca -0.01 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1b22 n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b22 n PRO 22 N 0.00 1.52 -2.84 1.61 -0.04 -1.26 -5.06 135.00 128.93 1b22 n PRO 22 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1b22 n PRO 22 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 1b22 n PRO 22 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1b22 n GLN 23 N 0.00 1.05 -0.55 0.54 1.13 -1.26 -4.89 117.38 113.40 1b22 n GLN 23 Ca 0.00 -2.42 -0.17 0.00 -1.94 0.00 0.00 57.00 52.47 1b22 n GLN 23 Cb 0.00 -1.04 -0.01 0.00 0.11 0.00 0.00 30.24 29.29 1b22 n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1b22 n PRO 24 N 0.12 1.50 0.00 -1.09 -0.04 -1.26 -0.90 135.00 133.33 1b22 n PRO 24 Ca 0.10 -1.21 0.09 0.00 -0.04 0.00 0.00 63.50 62.44 1b22 n PRO 24 Cb 0.73 -2.35 0.51 0.00 -0.04 0.00 0.00 33.50 32.35 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 4.49 0.25 0.00 0.52 -5.35 -1.26 -4.29 119.36 113.72 1b22 n ILE 25 Ca 0.33 0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.87 1b22 n ILE 25 Cb 0.11 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.25 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 -1.16 0.00 0.13 7.28 2.88 -1.26 0.79 113.62 122.29 1b22 n SER 26 Ca 0.11 0.47 0.13 0.00 -1.33 0.00 0.00 58.87 58.26 1b22 n SER 26 Cb 0.11 -0.21 0.38 0.00 -0.75 0.00 0.00 64.21 63.74 1b22 n SER 26 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1b22 h ARG 27 N 0.00 0.00 0.00 -1.46 0.11 -1.89 -2.80 114.38 108.34 1b22 h ARG 27 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1b22 h ARG 27 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1b22 h ARG 27 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1b22 n LEU 28 N -2.43 0.08 0.09 0.08 4.77 0.24 -2.42 117.00 117.41 1b22 n LEU 28 Ca 0.05 0.69 0.02 0.00 -0.03 0.00 0.00 56.01 56.74 1b22 n LEU 28 Cb 0.42 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1b22 n LEU 28 CO 0.30 -0.21 0.06 1.05 -1.33 0.00 0.00 177.39 177.26 1b22 h GLU 29 N 0.00 0.00 -0.07 3.23 4.11 -1.59 -2.22 114.58 118.04 1b22 h GLU 29 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 1b22 h GLU 29 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1b22 h GLU 29 CO 0.00 0.33 -0.63 0.37 0.07 0.00 0.00 179.01 179.15 1b22 h GLN 30 N 0.00 0.24 0.00 1.06 4.15 -1.60 -2.54 115.11 116.42 1b22 h GLN 30 Ca -0.08 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1b22 h GLN 30 Cb 1.43 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.15 1b22 h GLN 30 CO 0.05 0.79 0.00 0.00 -1.93 0.00 0.00 178.83 177.74 1b22 n GLY 32 N 1.23 0.63 0.00 0.00 0.00 -0.96 -5.07 105.19 101.02 1b22 n GLY 32 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 -0.61 0.13 -0.84 -4.93 119.36 113.12 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 -0.46 2.80 0.00 0.00 176.55 178.89 1b22 n ASN 34 N 0.00 0.00 0.13 9.51 6.94 -1.26 -4.85 115.26 125.73 1b22 n ASN 34 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.69 1b22 n ASN 34 Cb 0.00 0.00 0.38 0.00 -2.36 0.00 0.00 39.78 37.80 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1b22 h ALA 35 N -1.81 1.00 0.01 -2.53 0.00 -1.94 -3.35 119.26 110.64 1b22 h ALA 35 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1b22 h ALA 35 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1b22 h ALA 35 CO 0.00 0.00 -0.43 -0.91 0.00 0.00 0.00 179.25 177.91 1b22 h ASN 36 N 0.00 -1.33 0.00 0.00 4.21 -1.89 -2.19 115.58 114.38 1b22 h ASN 36 Ca 0.00 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.66 1b22 h ASN 36 Cb 0.74 0.50 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1b22 h ASN 36 CO 0.00 -0.43 0.00 -0.67 -1.29 0.00 0.00 177.43 175.04 1b22 n ASP 37 N -4.88 0.00 0.38 5.81 -0.08 -1.24 0.25 116.55 116.79 1b22 n ASP 37 Ca -0.06 0.26 -0.19 0.00 -1.51 0.00 0.00 54.79 53.29 1b22 n ASP 37 Cb 0.32 -0.10 -0.09 0.00 2.34 0.00 0.00 41.12 43.58 1b22 n ASP 37 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1b22 h VAL 38 N 0.00 0.11 0.00 5.18 2.07 -1.83 -3.08 116.25 118.70 1b22 h VAL 38 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1b22 h VAL 38 Cb 0.00 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1b22 h VAL 38 CO 0.00 0.00 -0.00 0.11 0.02 0.00 0.00 177.57 177.70 1b22 h LYS 39 N -1.07 0.00 0.12 1.57 1.57 -0.41 -2.95 116.57 115.41 1b22 h LYS 39 Ca -0.09 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1b22 h LYS 39 Cb 0.87 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1b22 h LYS 39 CO 0.07 0.46 -0.46 0.87 -0.57 0.00 0.00 179.45 179.83 1b22 h LYS 40 N -1.00 -0.64 0.00 3.15 1.79 0.32 -3.07 116.57 117.11 1b22 h LYS 40 Ca -0.00 0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.42 1b22 h LYS 40 Cb 0.46 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1b22 h LYS 40 CO -0.00 -0.43 -0.67 1.37 -1.08 0.00 0.00 179.45 178.64 1b22 h LEU 41 N -0.66 0.00 0.47 2.94 8.10 -1.43 -3.37 115.31 121.35 1b22 h LEU 41 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 1b22 h LEU 41 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.89 1b22 h LEU 41 CO -0.24 0.39 -0.22 -0.08 -4.11 0.00 0.00 178.44 174.17 1b22 h GLU 42 N 0.00 -0.61 -1.55 0.17 4.81 -1.50 0.59 114.58 116.50 1b22 h GLU 42 Ca -0.04 0.04 0.47 0.00 -0.13 0.00 0.00 59.36 59.70 1b22 h GLU 42 Cb 1.33 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.75 1b22 h GLU 42 CO 0.04 -0.32 1.07 1.05 -0.73 0.00 0.00 179.01 180.13 1b22 h GLU 43 N -1.05 0.05 0.00 1.92 -0.00 -1.72 -3.38 114.58 110.40 1b22 h GLU 43 Ca -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1b22 h GLU 43 Cb 0.57 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 1b22 h GLU 43 CO 0.11 0.03 0.00 0.00 -0.00 0.00 0.00 179.01 179.15 1b22 n ALA 44 N -2.72 2.70 0.00 1.06 0.00 -1.14 -5.10 120.51 115.32 1b22 n ALA 44 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1b22 n ALA 44 Cb 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.07 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 1.20 0.09 0.17 0.00 0.00 0.20 -5.00 105.19 101.85 1b22 n GLY 45 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.09 -0.71 1.61 3.01 -1.26 -4.62 117.46 115.58 1b22 n PHE 46 Ca 0.00 -0.05 -0.30 0.00 1.01 0.00 0.00 57.45 58.11 1b22 n PHE 46 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 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 -0.35 1.04 0.00 1.38 1.44 -1.26 -3.22 115.22 114.25 1b22 n HIS 47 Ca 0.10 -1.37 0.00 0.00 -2.01 0.00 0.00 57.72 54.44 1b22 n HIS 47 Cb 0.12 -1.32 0.00 0.00 0.12 0.00 0.00 29.99 28.91 1b22 n HIS 47 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1b22 n THR 48 N 5.53 0.00 -0.65 0.61 -2.24 -1.26 -4.21 114.28 112.06 1b22 n THR 48 Ca 0.39 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 1b22 n THR 48 Cb 0.26 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1b22 n THR 48 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1b22 n VAL 49 N 0.00 0.00 1.01 2.28 0.31 -0.08 -4.74 118.33 117.11 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 -0.43 0.22 0.00 -0.91 0.00 0.00 33.84 32.72 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 -1.79 0.03 -0.32 5.55 2.13 -1.20 -3.91 120.64 121.13 1b22 n GLU 50 Ca 0.00 -0.02 0.34 0.00 0.66 0.00 0.00 57.16 58.14 1b22 n GLU 50 Cb 0.04 -1.50 0.72 0.00 0.27 0.00 0.00 31.44 30.97 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1b22 h ALA 51 N 3.02 3.00 -0.41 4.31 0.00 -1.83 -2.97 119.26 124.38 1b22 h ALA 51 Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1b22 h ALA 51 Cb 0.50 0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.10 1b22 h ALA 51 CO 0.00 -1.35 -0.75 1.55 0.00 0.00 0.00 179.25 178.70 1b22 n VAL 52 N -4.25 0.53 -2.72 0.00 3.14 -1.26 -4.65 118.33 109.13 1b22 n VAL 52 Ca 0.26 -2.17 -0.04 0.00 -2.96 0.00 0.00 64.34 59.42 1b22 n VAL 52 Cb 1.20 0.93 0.09 0.00 -1.06 0.00 0.00 33.84 35.00 1b22 n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b22 n ALA 53 N -0.56 2.50 0.00 1.55 0.00 -1.12 -4.95 120.51 117.94 1b22 n ALA 53 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.64 1b22 n ALA 53 Cb 0.84 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1b22 n ALA 53 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1b22 n TYR 54 N -0.88 -0.14 -3.89 0.00 4.19 -1.26 -4.87 117.16 110.31 1b22 n TYR 54 Ca -0.04 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.08 1b22 n TYR 54 Cb 0.85 0.03 -0.08 0.00 0.49 0.00 0.00 39.34 40.62 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1b22 s ALA 55 N -1.22 -0.14 -0.05 2.98 0.00 -1.26 -5.12 121.76 116.95 1b22 s ALA 55 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 1b22 s ALA 55 Cb 0.00 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 1b22 s ALA 55 CO 0.00 -0.43 1.42 -1.25 0.00 0.00 0.00 175.76 175.49 1b22 s PRO 56 N -3.40 4.25 0.58 0.00 0.04 -1.26 -4.75 135.00 130.46 1b22 s PRO 56 Ca 0.02 1.94 0.38 0.00 0.04 0.00 0.00 61.00 63.37 1b22 s PRO 56 Cb 0.03 -3.70 1.30 0.00 0.04 0.00 0.00 34.50 32.18 1b22 s PRO 56 CO -0.08 -0.65 1.42 0.36 0.04 0.00 0.00 177.00 178.08 1b22 n LYS 57 N 5.98 0.01 0.18 4.56 2.85 -1.26 0.24 118.16 130.71 1b22 n LYS 57 Ca 0.14 1.05 0.05 0.00 -1.05 0.00 0.00 58.31 58.50 1b22 n LYS 57 Cb 0.44 -2.52 0.24 0.00 -0.65 0.00 0.00 35.03 32.54 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 0.03 -1.58 1.57 -1.90 -2.95 116.57 111.74 1b22 h LYS 58 Ca 0.71 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.49 1b22 h LYS 58 Cb 3.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.66 1b22 h LYS 58 CO -0.01 0.40 -0.01 1.49 -0.57 0.00 0.00 179.45 180.75 1b22 h GLU 59 N 0.00 -0.04 -0.21 3.15 4.57 0.28 -2.85 114.58 119.48 1b22 h GLU 59 Ca -0.00 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1b22 h GLU 59 Cb 1.06 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.58 1b22 h GLU 59 CO 0.05 -0.03 -0.49 1.25 -1.18 0.00 0.00 179.01 178.62 1b22 h LEU 60 N -0.59 -1.57 -1.81 1.64 5.85 -1.69 0.87 115.31 118.01 1b22 h LEU 60 Ca -0.00 0.20 0.35 0.00 0.84 0.00 0.00 57.88 59.27 1b22 h LEU 60 Cb 0.03 0.64 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 1b22 h LEU 60 CO 0.01 -0.44 0.86 0.16 -0.34 0.00 0.00 178.44 178.69 1b22 h ILE 61 N -0.49 0.38 0.00 4.05 -0.00 -1.68 1.01 117.51 120.78 1b22 h ILE 61 Ca 0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 64.86 64.90 1b22 h ILE 61 Cb 0.64 0.27 0.00 0.00 -0.00 0.00 0.00 36.82 37.74 1b22 h ILE 61 CO -0.47 0.02 0.37 -1.13 -0.00 0.00 0.00 178.15 176.93 1b22 h ASN 62 N 0.09 0.00 0.00 2.16 -0.73 0.10 0.20 115.58 117.41 1b22 h ASN 62 Ca 0.62 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.79 1b22 h ASN 62 Cb 2.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.84 1b22 h ASN 62 CO -0.10 0.00 0.00 2.30 -0.37 0.00 0.00 177.43 179.26 1b22 n ILE 63 N -2.13 0.00 -0.55 2.57 -5.35 0.35 -3.65 119.36 110.61 1b22 n ILE 63 Ca -0.01 0.00 0.43 0.00 -0.27 0.00 0.00 62.75 62.90 1b22 n ILE 63 Cb 0.39 -0.08 0.67 0.00 -1.74 0.00 0.00 39.64 38.87 1b22 n ILE 63 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1b22 n LYS 64 N 0.00 0.00 0.00 6.28 3.00 -1.26 -4.54 118.16 121.64 1b22 n LYS 64 Ca 0.00 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.26 1b22 n LYS 64 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 35.03 32.79 1b22 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b22 n GLY 65 N -1.78 0.82 0.00 3.14 0.00 -1.16 -5.16 105.19 101.05 1b22 n GLY 65 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 5.41 0.69 -4.98 119.36 119.87 1b22 n ILE 66 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1b22 n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.31 4.38 2.88 -1.26 -4.35 113.62 115.58 1b22 n SER 67 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1b22 n SER 67 Cb 0.00 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.40 1b22 n SER 67 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1b22 h GLU 68 N 0.00 0.00 0.00 -1.46 4.22 -1.96 -2.87 114.58 112.51 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 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 -2.18 0.00 0.00 179.01 176.83 1b22 n ALA 69 N -1.94 -0.01 0.06 2.92 0.00 -1.26 -1.30 120.51 118.98 1b22 n ALA 69 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1b22 n ALA 69 Cb 0.23 0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 1b22 n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1b22 h LYS 70 N 0.00 -0.22 0.00 0.00 6.56 -1.94 -2.97 116.57 118.00 1b22 h LYS 70 Ca 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1b22 h LYS 70 Cb 0.00 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1b22 h LYS 70 CO 0.00 0.18 0.00 0.00 -2.06 0.00 0.00 179.45 177.57 1b22 n ALA 71 N -2.59 -0.24 -0.24 3.86 0.00 -1.09 -2.68 120.51 117.53 1b22 n ALA 71 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1b22 n ALA 71 Cb 0.25 0.22 0.04 0.00 0.00 0.00 0.00 19.45 19.97 1b22 n ALA 71 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1b22 h ASP 72 N 0.00 -0.98 -1.63 0.00 3.58 -1.35 0.49 116.42 116.53 1b22 h ASP 72 Ca 0.00 0.23 0.47 0.00 0.42 0.00 0.00 57.03 58.16 1b22 h ASP 72 Cb 0.00 0.54 -0.07 0.00 1.72 0.00 0.00 39.33 41.52 1b22 h ASP 72 CO 0.00 -0.28 1.17 0.50 -2.88 0.00 0.00 179.24 177.75 1b22 h LYS 73 N -0.08 0.01 0.05 0.28 1.63 -1.33 0.94 116.57 118.06 1b22 h LYS 73 Ca 0.30 -0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.83 1b22 h LYS 73 Cb 0.55 -0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1b22 h LYS 73 CO -0.74 0.00 -1.10 0.97 -3.45 0.00 0.00 179.45 175.13 1b22 h ILE 74 N 0.01 1.32 0.00 2.00 2.10 0.17 -3.09 117.51 120.02 1b22 h ILE 74 Ca 0.78 -2.40 0.00 0.00 1.08 0.00 0.00 64.86 64.32 1b22 h ILE 74 Cb 3.11 2.52 0.00 0.00 -1.09 0.00 0.00 36.82 41.36 1b22 h ILE 74 CO -0.02 0.73 0.00 0.25 -1.08 0.00 0.00 178.15 178.03 1b22 h LEU 75 N 0.31 0.00 0.00 2.19 7.12 0.10 0.11 115.31 125.14 1b22 h LEU 75 Ca -0.14 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.86 1b22 h LEU 75 Cb 1.76 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.89 1b22 h LEU 75 CO 0.21 0.00 -0.09 0.00 -0.13 0.00 0.00 178.44 178.43 1b22 h ALA 76 N 2.05 0.01 -0.18 1.25 0.00 -1.32 -2.78 119.26 118.30 1b22 h ALA 76 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1b22 h ALA 76 Cb 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1b22 h ALA 76 CO 0.00 0.06 -0.54 0.93 0.00 0.00 0.00 179.25 179.71 1b22 h GLU 77 N -1.00 0.52 -0.11 0.00 4.39 -1.47 -1.98 114.58 114.93 1b22 h GLU 77 Ca -0.02 -0.32 -0.10 0.00 0.34 0.00 0.00 59.36 59.26 1b22 h GLU 77 Cb 0.52 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1b22 h GLU 77 CO -0.01 0.93 -0.38 0.00 -1.16 0.00 0.00 179.01 178.38 1b22 h ALA 78 N 1.01 1.14 0.00 3.43 0.00 -0.94 1.51 119.26 125.41 1b22 h ALA 78 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1b22 h ALA 78 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1b22 h ALA 78 CO 0.10 0.57 -0.52 0.00 0.00 0.00 0.00 179.25 179.40 1b22 h ALA 79 N 1.39 0.71 0.00 0.00 0.00 -1.38 -2.78 119.26 117.20 1b22 h ALA 79 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1b22 h ALA 79 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1b22 h ALA 79 CO 0.06 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1b22 n LYS 80 N -2.53 4.04 0.00 0.00 4.76 -0.75 -4.77 118.16 118.91 1b22 n LYS 80 Ca 0.03 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1b22 n LYS 80 Cb 0.49 -0.63 0.00 0.00 -1.84 0.00 0.00 35.03 33.06 1b22 n LYS 80 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1b22 n LEU 81 N -0.62 0.00 -3.44 -0.35 7.99 0.51 -4.91 117.00 116.19 1b22 n LEU 81 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.74 1b22 n LEU 81 Cb 0.01 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1b22 n LEU 81 CO 0.00 0.00 -0.19 0.52 -1.51 0.00 0.00 177.39 176.21 1b22 n VAL 82 N -0.96 0.11 0.00 4.08 0.31 -0.77 -4.96 118.33 116.14 1b22 n VAL 82 Ca 0.00 -4.19 0.00 0.00 -0.01 0.00 0.00 64.34 60.14 1b22 n VAL 82 Cb 0.03 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 1b22 n VAL 82 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1b22 n PRO 83 N 1.89 0.00 0.05 5.55 -0.04 -1.24 -4.54 135.00 136.67 1b22 n PRO 83 Ca 0.25 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1b22 n PRO 83 Cb 0.46 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 1b22 n PRO 83 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1b22 n MET 84 N -0.82 0.00 0.00 0.54 0.00 -1.26 -4.70 117.12 110.88 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 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38