#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 -2.68 -2.20 3.44 1.02 -1.26 -4.96 120.64 114.00 1b22 n GLU 17 Ca 0.00 2.15 0.00 0.00 -0.02 0.00 0.00 57.16 59.29 1b22 n GLU 17 Cb 0.00 -3.25 0.00 0.00 -0.02 0.00 0.00 31.44 28.17 1b22 n GLU 17 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1b22 n GLU 18 N -4.05 -4.65 -1.03 3.49 4.07 -1.26 -4.84 120.64 112.37 1b22 n GLU 18 Ca -0.07 3.33 0.12 0.00 -0.06 0.00 0.00 57.16 60.48 1b22 n GLU 18 Cb 0.58 -4.01 -0.04 0.00 -0.06 0.00 0.00 31.44 27.91 1b22 n GLU 18 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1b22 n SER 19 N 1.90 -5.47 -3.80 4.31 7.64 -1.26 -4.80 113.62 112.15 1b22 n SER 19 Ca 0.00 0.53 -0.24 0.00 1.01 0.00 0.00 58.87 60.18 1b22 n SER 19 Cb 0.00 -3.29 0.02 0.00 -1.01 0.00 0.00 64.21 59.93 1b22 n SER 19 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1b22 n PHE 20 N -3.21 -1.92 -0.66 1.43 3.01 -1.26 -4.88 117.46 109.97 1b22 n PHE 20 Ca -0.01 0.83 0.00 0.00 1.01 0.00 0.00 57.45 59.28 1b22 n PHE 20 Cb 0.61 -4.17 0.00 0.00 -0.01 0.00 0.00 39.48 35.91 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b22 n GLY 21 N -1.67 5.48 3.73 1.37 0.00 -1.26 -4.82 105.19 108.01 1b22 n GLY 21 Ca -0.24 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 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 4.01 4.46 -0.07 1.61 0.04 -1.26 -4.96 135.00 138.82 1b22 s PRO 22 Ca 0.00 1.86 -0.10 0.00 0.04 0.00 0.00 61.00 62.81 1b22 s PRO 22 Cb 0.00 -3.27 -0.29 0.00 0.04 0.00 0.00 34.50 30.98 1b22 s PRO 22 CO 0.00 -0.16 0.56 1.96 0.04 0.00 0.00 177.00 179.40 1b22 h GLN 23 N 5.78 0.35 -3.42 4.56 1.08 -1.89 -3.39 115.11 118.19 1b22 h GLN 23 Ca -0.44 -0.60 -0.31 0.00 -1.45 0.00 0.00 58.65 55.85 1b22 h GLN 23 Cb 1.21 0.23 0.01 0.00 -0.05 0.00 0.00 27.48 28.88 1b22 h GLN 23 CO 0.77 1.29 2.24 -0.35 -0.95 0.00 0.00 178.83 181.83 1b22 n PRO 24 N -3.56 1.78 0.05 1.46 -0.04 -1.25 -2.82 135.00 130.61 1b22 n PRO 24 Ca -0.27 -1.28 0.12 0.00 -0.04 0.00 0.00 63.50 62.03 1b22 n PRO 24 Cb 1.07 -2.35 0.48 0.00 -0.04 0.00 0.00 33.50 32.66 1b22 n PRO 24 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1b22 n ILE 25 N 4.17 0.50 0.00 0.52 2.08 -1.07 -4.17 119.36 121.39 1b22 n ILE 25 Ca 0.38 0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.71 1b22 n ILE 25 Cb 0.14 -0.74 0.00 0.00 -0.75 0.00 0.00 39.64 38.30 1b22 n ILE 25 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1b22 n SER 26 N -1.81 0.00 -0.49 4.38 7.64 -1.24 -1.92 113.62 120.18 1b22 n SER 26 Ca 0.05 0.66 0.37 0.00 1.01 0.00 0.00 58.87 60.96 1b22 n SER 26 Cb 0.31 -0.16 0.57 0.00 -1.01 0.00 0.00 64.21 63.92 1b22 n SER 26 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1b22 n ARG 27 N -1.30 -0.00 0.00 1.43 1.74 -1.26 -0.03 116.66 117.24 1b22 n ARG 27 Ca 0.00 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1b22 n ARG 27 Cb 0.00 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 1b22 n ARG 27 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1b22 n LEU 28 N -3.36 1.03 0.11 0.55 4.77 -0.81 -2.73 117.00 116.57 1b22 n LEU 28 Ca 0.31 0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 56.65 1b22 n LEU 28 Cb 1.40 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 42.43 1b22 n LEU 28 CO 0.31 -0.09 0.36 1.05 -1.33 0.00 0.00 177.39 177.69 1b22 h GLU 29 N 0.00 0.00 -0.54 3.23 9.09 -1.50 -2.83 114.58 122.02 1b22 h GLU 29 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1b22 h GLU 29 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 1b22 h GLU 29 CO 0.00 0.71 0.25 0.37 0.05 0.00 0.00 179.01 180.39 1b22 h GLN 30 N 0.00 0.76 0.00 1.06 4.15 -0.63 0.08 115.11 120.54 1b22 h GLN 30 Ca -0.01 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1b22 h GLN 30 Cb 1.46 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1b22 h GLN 30 CO 0.09 0.60 0.00 0.00 -1.93 0.00 0.00 178.83 177.60 1b22 n GLY 32 N 1.32 0.69 0.00 0.00 0.00 0.01 -5.08 105.19 102.13 1b22 n GLY 32 Ca 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 3.06 -1.07 -4.95 119.36 115.78 1b22 n ILE 33 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1b22 n ILE 33 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1b22 n ILE 33 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1b22 n ASN 34 N 0.00 0.00 0.23 9.51 4.13 -1.26 -4.72 115.26 123.14 1b22 n ASN 34 Ca 0.00 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.38 1b22 n ASN 34 Cb 0.00 0.00 0.64 0.00 -1.54 0.00 0.00 39.78 38.88 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 -2.00 1.16 0.00 5.41 0.00 -1.94 -3.13 119.26 118.76 1b22 h ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b22 h ALA 35 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1b22 h ALA 35 CO 0.00 -0.16 -0.07 -0.91 0.00 0.00 0.00 179.25 178.11 1b22 h ASN 36 N 0.00 -0.22 0.00 0.00 4.21 -1.85 -2.53 115.58 115.20 1b22 h ASN 36 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1b22 h ASN 36 Cb 0.39 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1b22 h ASN 36 CO 0.00 -0.07 0.00 -0.67 -1.29 0.00 0.00 177.43 175.40 1b22 n ASP 37 N -2.88 0.00 -0.26 5.81 2.03 -1.18 0.20 116.55 120.26 1b22 n ASP 37 Ca -0.01 0.18 -0.11 0.00 0.52 0.00 0.00 54.79 55.37 1b22 n ASP 37 Cb 0.05 -0.03 -0.09 0.00 -0.72 0.00 0.00 41.12 40.33 1b22 n ASP 37 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1b22 h VAL 38 N 0.00 0.00 0.00 5.18 2.07 -1.81 -3.09 116.25 118.61 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 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1b22 h VAL 38 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 1b22 n LYS 39 N -5.11 0.00 -0.14 1.57 4.01 0.92 -2.82 118.16 116.59 1b22 n LYS 39 Ca -0.01 0.37 -0.04 0.00 -0.51 0.00 0.00 58.31 58.13 1b22 n LYS 39 Cb 0.28 -0.86 -0.03 0.00 -0.51 0.00 0.00 35.03 33.90 1b22 n LYS 39 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1b22 n LYS 40 N -2.00 -0.14 0.08 1.97 4.76 0.54 0.11 118.16 123.48 1b22 n LYS 40 Ca 0.00 0.52 -0.08 0.00 -2.87 0.00 0.00 58.31 55.88 1b22 n LYS 40 Cb 0.00 -0.77 -0.06 0.00 -1.84 0.00 0.00 35.03 32.36 1b22 n LYS 40 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 1b22 h LEU 41 N 0.00 0.15 -0.73 -0.35 8.10 -1.53 -3.20 115.31 117.75 1b22 h LEU 41 Ca 0.05 -0.14 0.00 0.00 0.11 0.00 0.00 57.88 57.90 1b22 h LEU 41 Cb 0.13 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1b22 h LEU 41 CO -0.30 1.03 0.00 -0.08 -4.11 0.00 0.00 178.44 174.98 1b22 h GLU 42 N 0.05 0.00 0.00 0.17 4.57 0.95 0.55 114.58 120.87 1b22 h GLU 42 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1b22 h GLU 42 Cb 1.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 1b22 h GLU 42 CO 0.14 0.00 0.00 0.93 -1.18 0.00 0.00 179.01 178.90 1b22 h GLU 43 N 0.00 0.00 0.00 1.92 5.08 -0.12 -3.43 114.58 118.04 1b22 h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b22 h GLU 43 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1b22 h GLU 43 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1b22 n ALA 44 N -1.91 0.00 0.00 3.43 0.00 -0.93 -4.98 120.51 116.12 1b22 n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b22 n ALA 44 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 0.82 0.00 0.00 0.00 0.19 -5.01 105.19 101.19 1b22 n GLY 45 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -2.30 1.61 3.01 -1.24 -4.42 117.46 114.11 1b22 n PHE 46 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1b22 n PHE 46 Cb 0.00 -0.10 -0.02 0.00 -0.01 0.00 0.00 39.48 39.35 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 -1.10 3.95 0.00 1.38 1.44 -1.26 -3.52 115.22 116.11 1b22 n HIS 47 Ca 0.10 -2.47 0.00 0.00 -2.01 0.00 0.00 57.72 53.34 1b22 n HIS 47 Cb 0.08 -2.59 0.00 0.00 0.12 0.00 0.00 29.99 27.60 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 6.59 0.00 0.00 0.61 5.66 -1.26 -3.74 114.28 122.14 1b22 n THR 48 Ca 0.48 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.48 1b22 n THR 48 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 1b22 n THR 48 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1b22 n VAL 49 N 0.00 0.00 -0.23 1.08 0.24 -1.13 -2.59 118.33 115.71 1b22 n VAL 49 Ca 0.00 0.00 0.30 0.00 -2.04 0.00 0.00 64.34 62.60 1b22 n VAL 49 Cb 0.00 0.00 0.57 0.00 -1.47 0.00 0.00 33.84 32.94 1b22 n VAL 49 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1b22 h GLU 50 N 0.00 0.00 -0.57 7.34 5.08 -1.85 0.14 114.58 124.72 1b22 h GLU 50 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1b22 h GLU 50 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1b22 h GLU 50 CO 0.00 0.00 0.71 0.00 -1.00 0.00 0.00 179.01 178.72 1b22 h ALA 51 N 0.84 2.32 -3.74 3.43 0.00 -1.91 -3.38 119.26 116.82 1b22 h ALA 51 Ca 0.50 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 55.11 1b22 h ALA 51 Cb 2.64 0.04 -0.27 0.00 0.00 0.00 0.00 17.79 20.20 1b22 h ALA 51 CO -0.01 -1.00 -0.74 0.14 0.00 0.00 0.00 179.25 177.64 1b22 s VAL 52 N -4.49 0.27 -0.46 0.00 -7.23 0.49 -4.40 120.40 104.58 1b22 s VAL 52 Ca -0.03 -0.25 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 1b22 s VAL 52 Cb 0.14 -0.25 0.04 0.00 0.56 0.00 0.00 36.38 36.87 1b22 s VAL 52 CO 0.48 0.00 0.63 0.00 -0.31 0.00 0.00 175.10 175.90 1b22 n ALA 53 N 2.80 -2.67 -0.35 1.32 0.00 -1.26 -4.80 120.51 115.54 1b22 n ALA 53 Ca -0.14 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1b22 n ALA 53 Cb 0.58 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 -0.34 -0.15 -4.12 0.00 4.19 -1.26 -4.85 117.16 110.63 1b22 n TYR 54 Ca 0.01 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.08 1b22 n TYR 54 Cb 0.57 0.03 -0.11 0.00 0.49 0.00 0.00 39.34 40.31 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 -1.00 0.87 -0.36 2.98 0.00 -1.26 -5.08 121.76 117.91 1b22 s ALA 55 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 51.96 50.74 1b22 s ALA 55 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1b22 s ALA 55 CO 0.00 0.03 1.85 -1.25 0.00 0.00 0.00 175.76 176.39 1b22 s PRO 56 N -1.92 3.20 0.35 0.00 0.04 -1.26 -4.83 135.00 130.57 1b22 s PRO 56 Ca -0.04 1.37 0.23 0.00 0.04 0.00 0.00 61.00 62.60 1b22 s PRO 56 Cb -0.08 -4.24 1.22 0.00 0.04 0.00 0.00 34.50 31.44 1b22 s PRO 56 CO 0.01 -2.02 1.35 1.63 0.04 0.00 0.00 177.00 178.00 1b22 n LYS 57 N 8.55 -0.04 0.25 4.56 5.02 -1.26 0.27 118.16 135.51 1b22 n LYS 57 Ca 0.23 1.13 0.09 0.00 -2.02 0.00 0.00 58.31 57.74 1b22 n LYS 57 Cb 0.48 -2.12 0.65 0.00 -0.02 0.00 0.00 35.03 34.01 1b22 n LYS 57 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1b22 h LYS 58 N 0.00 0.00 0.07 1.97 2.10 -1.89 -0.86 116.57 117.95 1b22 h LYS 58 Ca 0.74 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.29 1b22 h LYS 58 Cb 2.20 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.53 1b22 h LYS 58 CO -0.52 0.11 -0.46 1.49 -2.00 0.00 0.00 179.45 178.07 1b22 h GLU 59 N 0.00 0.14 0.75 0.07 4.57 0.34 -2.77 114.58 117.67 1b22 h GLU 59 Ca -0.00 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 1b22 h GLU 59 Cb 0.22 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1b22 h GLU 59 CO 0.01 1.12 -0.44 1.25 -1.18 0.00 0.00 179.01 179.77 1b22 h LEU 60 N -0.70 -1.10 -1.98 1.64 5.85 -1.26 -1.44 115.31 116.33 1b22 h LEU 60 Ca -0.09 0.06 0.32 0.00 0.84 0.00 0.00 57.88 59.01 1b22 h LEU 60 Cb 1.32 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 1b22 h LEU 60 CO 0.06 -0.69 0.80 0.16 -0.34 0.00 0.00 178.44 178.44 1b22 h ILE 61 N -1.11 0.44 0.00 4.05 -0.00 -1.31 1.58 117.51 121.17 1b22 h ILE 61 Ca -0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.75 1b22 h ILE 61 Cb 0.88 0.43 0.00 0.00 -0.00 0.00 0.00 36.82 38.13 1b22 h ILE 61 CO 0.11 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 178.86 1b22 n ASN 62 N -4.21 0.00 0.36 2.16 4.13 -0.54 -1.23 115.26 115.93 1b22 n ASN 62 Ca 0.24 0.17 -0.15 0.00 1.68 0.00 0.00 54.58 56.53 1b22 n ASN 62 Cb 1.17 -0.24 -0.07 0.00 -1.54 0.00 0.00 39.78 39.10 1b22 n ASN 62 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1b22 h ILE 63 N 0.00 0.00 0.05 2.41 2.04 0.23 -3.37 117.51 118.87 1b22 h ILE 63 Ca 0.00 -0.22 -0.28 0.00 1.00 0.00 0.00 64.86 65.37 1b22 h ILE 63 Cb 0.03 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 1b22 h ILE 63 CO 0.00 0.00 -1.49 0.50 0.00 0.00 0.00 178.15 177.16 1b22 h LYS 64 N -1.17 0.11 0.00 2.37 3.11 -1.72 -3.49 116.57 115.80 1b22 h LYS 64 Ca -0.10 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1b22 h LYS 64 Cb 0.73 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1b22 h LYS 64 CO 0.16 1.09 0.00 0.41 -2.81 0.00 0.00 179.45 178.30 1b22 n GLY 65 N 1.65 0.00 0.00 5.01 0.00 -0.48 -5.16 105.19 106.21 1b22 n GLY 65 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.36 -4.96 119.36 118.83 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 -1.54 0.00 0.00 0.00 176.55 175.01 1b22 n SER 67 N 0.00 0.00 0.19 4.38 3.41 -1.26 -4.64 113.62 115.70 1b22 n SER 67 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1b22 n SER 67 Cb 0.00 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 64.63 1b22 n SER 67 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1b22 h GLU 68 N 0.00 0.00 0.00 4.33 3.07 -1.95 -2.79 114.58 117.24 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1b22 h GLU 68 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1b22 h GLU 68 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1b22 n ALA 69 N -1.82 -0.00 0.03 3.43 0.00 -1.26 -0.37 120.51 120.51 1b22 n ALA 69 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1b22 n ALA 69 Cb 0.05 0.24 -0.13 0.00 0.00 0.00 0.00 19.45 19.60 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 0.07 0.15 0.00 -0.00 -1.95 -2.92 116.57 111.91 1b22 h LYS 70 Ca 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.65 60.53 1b22 h LYS 70 Cb 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 32.27 1b22 h LYS 70 CO 0.00 0.85 -0.08 0.00 -0.00 0.00 0.00 179.45 180.22 1b22 h ALA 71 N 0.86 -0.99 -0.81 0.07 0.00 -1.49 -2.01 119.26 114.89 1b22 h ALA 71 Ca -0.17 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1b22 h ALA 71 Cb 1.92 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.83 1b22 h ALA 71 CO 0.12 -0.98 0.53 0.22 0.00 0.00 0.00 179.25 179.15 1b22 h ASP 72 N -0.21 0.79 -0.30 0.00 3.58 -0.88 -0.14 116.42 119.26 1b22 h ASP 72 Ca -0.02 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.52 1b22 h ASP 72 Cb 0.17 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1b22 h ASP 72 CO 0.02 0.52 0.28 0.50 -2.88 0.00 0.00 179.24 177.68 1b22 h LYS 73 N 0.91 0.00 0.05 0.28 1.63 -1.32 -1.72 116.57 116.41 1b22 h LYS 73 Ca 0.35 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.07 1b22 h LYS 73 Cb 0.20 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1b22 h LYS 73 CO -0.12 0.00 -0.33 0.97 -3.45 0.00 0.00 179.45 176.52 1b22 h ILE 74 N 0.00 1.67 -0.02 2.00 -0.00 -0.26 -3.13 117.51 117.79 1b22 h ILE 74 Ca 0.14 -2.40 0.00 0.00 -0.00 0.00 0.00 64.86 62.61 1b22 h ILE 74 Cb 0.70 3.28 -0.00 0.00 -0.00 0.00 0.00 36.82 40.80 1b22 h ILE 74 CO -0.00 0.65 0.08 -0.07 -0.00 0.00 0.00 178.15 178.80 1b22 h LEU 75 N -0.73 0.00 0.22 2.19 4.07 -1.22 0.38 115.31 120.21 1b22 h LEU 75 Ca -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1b22 h LEU 75 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1b22 h LEU 75 CO 0.06 0.00 -0.10 0.00 -1.08 0.00 0.00 178.44 177.32 1b22 h ALA 76 N 1.86 -0.34 0.00 1.53 0.00 -1.34 -2.05 119.26 118.92 1b22 h ALA 76 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b22 h ALA 76 Cb 0.16 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b22 h ALA 76 CO -0.00 -0.32 0.00 0.93 0.00 0.00 0.00 179.25 179.86 1b22 h GLU 77 N -0.87 0.00 0.01 0.00 5.08 -1.44 -2.25 114.58 115.10 1b22 h GLU 77 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1b22 h GLU 77 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1b22 h GLU 77 CO 0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 177.96 1b22 h ALA 78 N 2.22 0.00 0.00 3.43 0.00 -0.32 -0.40 119.26 124.19 1b22 h ALA 78 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1b22 h ALA 78 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1b22 h ALA 78 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1b22 h ALA 79 N -0.01 1.00 0.00 0.00 0.00 -1.36 0.35 119.26 119.24 1b22 h ALA 79 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1b22 h ALA 79 Cb 1.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1b22 h ALA 79 CO 0.00 0.00 -2.02 1.63 0.00 0.00 0.00 179.25 178.86 1b22 n LYS 80 N -2.65 0.66 -0.09 0.00 4.76 -0.85 -4.32 118.16 115.68 1b22 n LYS 80 Ca 0.03 -0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.24 1b22 n LYS 80 Cb 0.39 -1.57 -0.07 0.00 -1.84 0.00 0.00 35.03 31.94 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1b22 n LEU 81 N -2.52 2.12 -3.88 -0.35 0.00 -0.16 -4.75 117.00 107.47 1b22 n LEU 81 Ca -0.14 0.07 -0.36 0.00 0.00 0.00 0.00 56.01 55.59 1b22 n LEU 81 Cb 0.80 -0.59 -0.04 0.00 0.00 0.00 0.00 43.42 43.59 1b22 n LEU 81 CO 0.44 0.59 0.52 0.52 0.00 0.00 0.00 177.39 179.46 1b22 n VAL 82 N -3.45 3.58 0.09 1.96 0.31 0.12 -4.86 118.33 116.08 1b22 n VAL 82 Ca -0.34 -5.41 -0.11 0.00 -0.01 0.00 0.00 64.34 58.46 1b22 n VAL 82 Cb 0.80 -2.21 -0.07 0.00 -0.91 0.00 0.00 33.84 31.44 1b22 n VAL 82 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1b22 h PRO 83 N 5.29 -0.28 0.00 5.55 0.13 -1.75 -3.41 132.00 137.54 1b22 h PRO 83 Ca 0.19 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1b22 h PRO 83 Cb 0.71 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1b22 h PRO 83 CO 1.00 0.11 -0.54 -1.33 -0.23 0.00 0.00 178.00 177.01 1b22 n MET 84 N -4.99 1.49 0.00 0.86 2.81 -1.26 -4.70 117.12 111.32 1b22 n MET 84 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1b22 n MET 84 Cb 0.26 -0.77 0.00 0.00 -0.71 0.00 0.00 33.22 32.00 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89