#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 4.19 0.00 5.31 2.02 -1.26 -4.93 118.70 124.03 1b22 s GLU 17 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 54.98 1b22 s GLU 17 Cb 0.00 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1b22 s GLU 17 CO 0.00 0.30 0.00 -1.91 0.02 0.00 0.00 175.26 173.67 1b22 n GLU 18 N 3.43 0.00 -2.71 1.61 2.13 -1.26 -5.11 120.64 118.73 1b22 n GLU 18 Ca -0.14 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.62 1b22 n GLU 18 Cb 0.52 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.29 1b22 n GLU 18 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1b22 n SER 19 N 0.00 -2.25 0.07 4.31 7.64 -1.26 -5.01 113.62 117.13 1b22 n SER 19 Ca 0.00 -2.55 -0.13 0.00 1.01 0.00 0.00 58.87 57.20 1b22 n SER 19 Cb 0.00 1.34 -0.08 0.00 -1.01 0.00 0.00 64.21 64.45 1b22 n SER 19 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1b22 h PHE 20 N 3.77 -0.17 -1.39 1.43 -1.00 -1.98 -3.39 116.94 114.21 1b22 h PHE 20 Ca -0.16 -0.00 -0.42 0.00 2.81 0.00 0.00 57.97 60.20 1b22 h PHE 20 Cb 1.11 0.06 -0.32 0.00 3.61 0.00 0.00 35.95 40.40 1b22 h PHE 20 CO -0.04 0.15 -0.96 0.41 -1.61 0.00 0.00 178.31 176.26 1b22 n GLY 21 N -0.32 2.58 2.92 -1.45 0.00 -1.26 -5.03 105.19 102.63 1b22 n GLY 21 Ca -0.09 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 0.50 2.14 0.00 1.61 -0.04 -1.26 -4.35 135.00 133.60 1b22 n PRO 22 Ca 0.19 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1b22 n PRO 22 Cb 0.65 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 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 6.56 0.00 -0.76 0.54 3.00 -1.26 -4.51 117.38 120.95 1b22 n GLN 23 Ca 0.51 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 57.30 1b22 n GLN 23 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.59 1b22 n GLN 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1b22 n PRO 24 N -2.34 2.00 0.03 -1.09 -0.04 -1.26 0.27 135.00 132.57 1b22 n PRO 24 Ca 0.00 -1.29 0.13 0.00 -0.04 0.00 0.00 63.50 62.30 1b22 n PRO 24 Cb 0.00 -2.30 0.50 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.72 0.19 0.28 0.52 2.08 -1.26 -4.07 119.36 120.82 1b22 n ILE 25 Ca 0.43 -0.10 -0.12 0.00 0.56 0.00 0.00 62.75 63.52 1b22 n ILE 25 Cb 0.26 -0.43 -0.06 0.00 -0.75 0.00 0.00 39.64 38.67 1b22 n ILE 25 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1b22 h SER 26 N 0.00 -0.71 -1.53 4.38 0.87 -1.75 -0.77 113.55 114.03 1b22 h SER 26 Ca 0.00 0.03 0.47 0.00 -1.23 0.00 0.00 61.79 61.07 1b22 h SER 26 Cb 0.58 0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 62.64 1b22 h SER 26 CO 0.00 -0.46 1.05 0.03 -0.53 0.00 0.00 176.83 176.92 1b22 h ARG 27 N -0.75 0.05 0.00 2.24 3.08 -1.86 1.07 114.38 118.20 1b22 h ARG 27 Ca -0.07 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1b22 h ARG 27 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1b22 h ARG 27 CO 0.09 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.30 1b22 n LEU 28 N -4.37 1.99 0.14 3.04 7.99 -0.94 -2.55 117.00 122.30 1b22 n LEU 28 Ca 0.38 0.10 0.14 0.00 -0.01 0.00 0.00 56.01 56.62 1b22 n LEU 28 Cb 1.61 -0.12 0.66 0.00 -0.11 0.00 0.00 43.42 45.47 1b22 n LEU 28 CO 0.31 -0.12 1.12 1.05 -1.51 0.00 0.00 177.39 178.25 1b22 h GLU 29 N 0.00 0.00 0.04 3.23 4.11 -0.98 -2.91 114.58 118.07 1b22 h GLU 29 Ca 0.00 -0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.13 1b22 h GLU 29 Cb 0.00 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1b22 h GLU 29 CO 0.00 0.00 -1.68 0.37 0.07 0.00 0.00 179.01 177.77 1b22 h GLN 30 N 0.00 0.08 0.00 1.06 4.15 0.11 -3.29 115.11 117.22 1b22 h GLN 30 Ca 0.12 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1b22 h GLN 30 Cb 0.47 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1b22 h GLN 30 CO -0.00 0.75 0.00 0.00 -1.93 0.00 0.00 178.83 177.65 1b22 n GLY 32 N 0.51 0.76 0.00 0.00 0.00 -1.22 -5.03 105.19 100.21 1b22 n GLY 32 Ca 0.03 -0.67 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 -0.16 -0.61 0.13 -1.17 -4.96 119.36 112.59 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 -3.20 2.80 0.00 0.00 176.55 176.15 1b22 n ASN 34 N 0.00 0.00 0.22 9.51 2.85 -1.26 -4.86 115.26 121.72 1b22 n ASN 34 Ca 0.00 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.62 1b22 n ASN 34 Cb 0.00 0.00 0.77 0.00 1.24 0.00 0.00 39.78 41.79 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1b22 h ALA 35 N -1.42 1.00 -0.21 5.20 0.00 -1.96 -3.28 119.26 118.59 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 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1b22 h ALA 35 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1b22 n ASN 36 N -2.57 0.00 -0.09 0.00 3.02 -1.26 -3.12 115.26 111.24 1b22 n ASN 36 Ca -0.01 0.97 -0.02 0.00 -0.03 0.00 0.00 54.58 55.48 1b22 n ASN 36 Cb 0.10 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 1b22 n ASN 36 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1b22 n ASP 37 N -2.17 -0.23 0.01 6.41 -0.08 -1.24 0.25 116.55 119.50 1b22 n ASP 37 Ca 0.00 0.40 -0.01 0.00 -1.51 0.00 0.00 54.79 53.67 1b22 n ASP 37 Cb 0.00 -0.06 -0.00 0.00 2.34 0.00 0.00 41.12 43.40 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 0.00 0.06 5.18 2.07 -1.79 -2.94 116.25 118.82 1b22 h VAL 38 Ca 0.03 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.24 1b22 h VAL 38 Cb 0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1b22 h VAL 38 CO -0.20 0.00 -1.76 0.07 0.02 0.00 0.00 177.57 175.70 1b22 h LYS 39 N -0.04 0.14 0.90 1.57 -0.00 -0.94 -2.99 116.57 115.21 1b22 h LYS 39 Ca -0.00 -0.23 -0.04 0.00 -0.00 0.00 0.00 60.65 60.37 1b22 h LYS 39 Cb 0.04 0.09 0.01 0.00 -0.00 0.00 0.00 32.23 32.36 1b22 h LYS 39 CO -0.01 0.86 -0.43 -0.22 -0.00 0.00 0.00 179.45 179.65 1b22 h LYS 40 N 0.04 -1.17 0.00 0.07 3.11 0.32 -2.50 116.57 116.45 1b22 h LYS 40 Ca -0.32 0.08 -0.20 0.00 -2.81 0.00 0.00 60.65 57.41 1b22 h LYS 40 Cb 2.02 0.26 -0.03 0.00 -1.00 0.00 0.00 32.23 33.48 1b22 h LYS 40 CO 0.10 -0.78 -0.93 1.37 -2.81 0.00 0.00 179.45 176.40 1b22 h LEU 41 N -1.26 0.00 -0.33 5.20 8.10 -1.47 -3.32 115.31 122.23 1b22 h LEU 41 Ca -0.12 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.73 1b22 h LEU 41 Cb 0.93 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.13 1b22 h LEU 41 CO 0.20 0.93 -0.63 -0.08 -4.11 0.00 0.00 178.44 174.75 1b22 h GLU 42 N 0.00 0.00 -0.01 0.17 4.81 -1.44 2.08 114.58 120.20 1b22 h GLU 42 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1b22 h GLU 42 Cb 1.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.06 1b22 h GLU 42 CO 0.12 0.63 0.00 0.39 -0.73 0.00 0.00 179.01 179.42 1b22 n GLU 43 N -3.41 1.02 0.00 1.92 -0.58 -0.94 -4.57 120.64 114.07 1b22 n GLU 43 Ca 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1b22 n GLU 43 Cb 0.72 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 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 -0.71 0.00 0.00 0.62 0.00 -1.13 -5.05 120.51 114.25 1b22 n ALA 44 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 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 -0.93 0.68 0.59 0.00 0.00 0.70 -4.97 105.19 101.26 1b22 n GLY 45 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 0.16 -0.74 1.61 3.01 -1.26 -4.74 117.46 115.49 1b22 n PHE 46 Ca 0.00 -0.05 -0.36 0.00 1.01 0.00 0.00 57.45 58.04 1b22 n PHE 46 Cb 0.00 -0.13 -0.11 0.00 -0.01 0.00 0.00 39.48 39.23 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 0.03 0.18 -3.81 1.38 1.44 -1.26 -3.47 115.22 109.72 1b22 n HIS 47 Ca 0.02 -0.40 0.00 0.00 -2.01 0.00 0.00 57.72 55.33 1b22 n HIS 47 Cb 0.31 -1.10 0.00 0.00 0.12 0.00 0.00 29.99 29.33 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 7.21 0.00 -0.59 0.61 5.66 -1.26 -3.64 114.28 122.27 1b22 n THR 48 Ca 0.43 0.00 0.45 0.00 -3.05 0.00 0.00 64.05 61.88 1b22 n THR 48 Cb 0.42 0.00 0.70 0.00 -1.55 0.00 0.00 70.33 69.90 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 9.00 -0.03 -0.46 1.08 0.24 0.77 0.08 118.33 129.00 1b22 n VAL 49 Ca 0.00 1.35 0.41 0.00 -2.04 0.00 0.00 64.34 64.06 1b22 n VAL 49 Cb 0.00 -2.24 0.69 0.00 -1.47 0.00 0.00 33.84 30.82 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 -1.60 7.34 4.39 -1.80 0.12 114.58 123.03 1b22 h GLU 50 Ca 0.82 0.00 0.48 0.00 0.34 0.00 0.00 59.36 60.99 1b22 h GLU 50 Cb 3.19 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 31.75 1b22 h GLU 50 CO -0.07 0.00 1.12 0.00 -1.16 0.00 0.00 179.01 178.90 1b22 h ALA 51 N 0.95 3.36 0.00 3.43 0.00 -0.39 -3.24 119.26 123.37 1b22 h ALA 51 Ca 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1b22 h ALA 51 Cb 3.15 0.15 0.00 0.00 0.00 0.00 0.00 17.79 21.09 1b22 h ALA 51 CO -0.01 -1.88 -0.32 0.28 0.00 0.00 0.00 179.25 177.32 1b22 n VAL 52 N -4.21 0.00 -1.25 0.00 0.31 0.36 -4.52 118.33 109.02 1b22 n VAL 52 Ca 0.38 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.41 1b22 n VAL 52 Cb 1.66 -0.19 0.24 0.00 -0.91 0.00 0.00 33.84 34.64 1b22 n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b22 n ALA 53 N -1.85 -2.97 -0.52 3.52 0.00 -0.81 -4.28 120.51 113.59 1b22 n ALA 53 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1b22 n ALA 53 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1b22 n ALA 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b22 n TYR 54 N -4.61 0.00 -4.35 0.00 4.02 -1.26 -4.54 117.16 106.42 1b22 n TYR 54 Ca 0.15 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.85 1b22 n TYR 54 Cb 0.58 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.80 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1b22 s ALA 55 N -0.86 2.03 0.17 -0.72 0.00 -1.26 -5.11 121.76 116.00 1b22 s ALA 55 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 1b22 s ALA 55 Cb 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.94 1b22 s ALA 55 CO 0.00 0.10 1.22 -1.25 0.00 0.00 0.00 175.76 175.83 1b22 s PRO 56 N -3.50 4.46 0.61 0.00 0.04 -1.26 -4.61 135.00 130.73 1b22 s PRO 56 Ca 0.22 1.90 0.29 0.00 0.04 0.00 0.00 61.00 63.44 1b22 s PRO 56 Cb -0.02 -3.25 1.50 0.00 0.04 0.00 0.00 34.50 32.78 1b22 s PRO 56 CO 0.07 -0.15 1.90 0.87 0.04 0.00 0.00 177.00 179.73 1b22 h LYS 57 N 5.51 0.00 0.00 4.56 1.57 -1.84 0.17 116.57 126.54 1b22 h LYS 57 Ca -0.44 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.17 1b22 h LYS 57 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1b22 h LYS 57 CO 0.76 0.00 -0.81 1.57 -0.57 0.00 0.00 179.45 180.41 1b22 h LYS 58 N 0.00 0.02 0.01 3.15 2.10 -1.90 -2.71 116.57 117.24 1b22 h LYS 58 Ca 0.16 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.77 1b22 h LYS 58 Cb 1.04 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1b22 h LYS 58 CO -0.00 0.81 -0.07 1.49 -2.00 0.00 0.00 179.45 179.68 1b22 h GLU 59 N 0.01 0.04 0.68 0.07 4.57 -1.05 -2.75 114.58 116.15 1b22 h GLU 59 Ca -0.01 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1b22 h GLU 59 Cb 1.42 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 1b22 h GLU 59 CO 0.11 0.92 -0.45 1.25 -1.18 0.00 0.00 179.01 179.67 1b22 h LEU 60 N -0.83 -1.14 -1.87 1.64 5.85 -1.58 -0.02 115.31 117.37 1b22 h LEU 60 Ca -0.01 0.07 0.23 0.00 0.84 0.00 0.00 57.88 59.01 1b22 h LEU 60 Cb 0.96 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1b22 h LEU 60 CO 0.01 -0.67 0.70 0.16 -0.34 0.00 0.00 178.44 178.30 1b22 h ILE 61 N -1.07 0.36 0.00 4.05 -0.00 -1.61 1.20 117.51 120.45 1b22 h ILE 61 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.77 1b22 h ILE 61 Cb 0.87 0.47 0.00 0.00 -0.00 0.00 0.00 36.82 38.16 1b22 h ILE 61 CO 0.07 0.00 0.21 -3.20 -0.00 0.00 0.00 178.15 175.23 1b22 n ASN 62 N -3.88 0.28 0.00 2.16 2.85 -0.02 -0.63 115.26 116.01 1b22 n ASN 62 Ca 0.17 0.53 0.00 0.00 -0.11 0.00 0.00 54.58 55.16 1b22 n ASN 62 Cb 0.98 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 -1.88 0.00 0.23 -1.44 5.41 0.41 -3.01 119.36 119.09 1b22 n ILE 63 Ca -0.01 0.68 0.15 0.00 1.00 0.00 0.00 62.75 64.57 1b22 n ILE 63 Cb 0.23 -1.61 0.81 0.00 -0.71 0.00 0.00 39.64 38.35 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 0.00 0.00 0.38 1.63 -1.78 -3.44 116.57 113.35 1b22 h LYS 64 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1b22 h LYS 64 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1b22 h LYS 64 CO 0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1b22 n GLY 65 N -1.43 1.98 0.00 5.01 0.00 -0.42 -5.13 105.19 105.21 1b22 n GLY 65 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.39 0.00 0.00 -0.61 -0.00 0.20 -4.90 119.36 113.66 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 -1.54 -0.00 0.00 0.00 176.55 175.01 1b22 n SER 67 N 0.00 0.00 0.21 4.38 3.41 -1.26 -4.47 113.62 115.89 1b22 n SER 67 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1b22 n SER 67 Cb 0.00 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 64.70 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 -1.96 -2.95 114.58 117.07 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 -1.85 -0.01 0.07 3.43 0.00 -1.26 -0.13 120.51 120.76 1b22 n ALA 69 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1b22 n ALA 69 Cb 0.04 0.27 -0.15 0.00 0.00 0.00 0.00 19.45 19.61 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 0.37 0.17 0.00 1.57 -1.97 -2.94 116.57 113.77 1b22 h LYS 70 Ca 0.00 -0.63 -0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1b22 h LYS 70 Cb 0.00 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1b22 h LYS 70 CO 0.00 1.30 -0.23 0.00 -0.57 0.00 0.00 179.45 179.96 1b22 h ALA 71 N 0.08 -0.88 -0.60 3.86 0.00 -1.54 -2.48 119.26 117.71 1b22 h ALA 71 Ca -0.22 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1b22 h ALA 71 Cb 1.85 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 20.09 1b22 h ALA 71 CO 0.17 -0.90 0.24 0.22 0.00 0.00 0.00 179.25 178.99 1b22 h ASP 72 N -0.41 0.27 -1.39 0.00 1.82 -0.70 0.51 116.42 116.53 1b22 h ASP 72 Ca -0.02 0.07 0.40 0.00 -0.39 0.00 0.00 57.03 57.09 1b22 h ASP 72 Cb 0.37 0.03 -0.06 0.00 0.68 0.00 0.00 39.33 40.35 1b22 h ASP 72 CO -0.06 0.17 1.00 0.50 -1.61 0.00 0.00 179.24 179.24 1b22 h LYS 73 N 0.44 0.02 0.12 0.28 1.63 -1.25 0.10 116.57 117.92 1b22 h LYS 73 Ca 0.29 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.09 1b22 h LYS 73 Cb 0.33 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1b22 h LYS 73 CO -0.27 0.01 -0.06 0.82 -3.45 0.00 0.00 179.45 176.50 1b22 h ILE 74 N 0.02 1.01 0.00 2.00 2.04 -0.44 -2.99 117.51 119.14 1b22 h ILE 74 Ca 0.67 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1b22 h ILE 74 Cb 2.64 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 40.42 1b22 h ILE 74 CO -0.03 0.26 0.27 -0.07 0.00 0.00 0.00 178.15 178.58 1b22 h LEU 75 N -0.81 0.00 0.30 1.44 4.07 -0.76 -1.04 115.31 118.51 1b22 h LEU 75 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1b22 h LEU 75 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1b22 h LEU 75 CO 0.03 0.00 -0.15 0.00 -1.08 0.00 0.00 178.44 177.24 1b22 h ALA 76 N 1.43 -0.43 -0.63 1.53 0.00 -1.22 -1.82 119.26 118.12 1b22 h ALA 76 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1b22 h ALA 76 Cb 0.54 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1b22 h ALA 76 CO 0.00 -0.40 0.32 0.93 0.00 0.00 0.00 179.25 180.10 1b22 h GLU 77 N -1.05 0.90 0.07 0.00 4.39 -1.35 -2.61 114.58 114.93 1b22 h GLU 77 Ca -0.04 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 1b22 h GLU 77 Cb 0.31 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1b22 h GLU 77 CO 0.07 0.71 -0.03 0.00 -1.16 0.00 0.00 179.01 178.59 1b22 h ALA 78 N 1.15 -0.09 -0.02 3.43 0.00 -1.33 0.44 119.26 122.83 1b22 h ALA 78 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1b22 h ALA 78 Cb 0.09 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1b22 h ALA 78 CO -0.03 -0.54 0.07 0.00 0.00 0.00 0.00 179.25 178.76 1b22 h ALA 79 N 0.81 1.19 -0.07 0.00 0.00 -1.19 0.51 119.26 120.50 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 -0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.81 1b22 n LYS 80 N -3.20 1.91 0.00 0.00 5.02 -0.64 -4.68 118.16 116.57 1b22 n LYS 80 Ca -0.02 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 1b22 n LYS 80 Cb 0.15 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1b22 n LEU 81 N -1.05 0.00 0.10 -0.35 7.94 0.14 -4.90 117.00 118.88 1b22 n LEU 81 Ca 0.15 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.91 1b22 n LEU 81 Cb 0.65 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.48 1b22 n LEU 81 CO 0.05 0.00 0.01 1.62 -1.11 0.00 0.00 177.39 177.96 1b22 h VAL 82 N 0.00 1.51 -0.97 1.96 3.04 -0.22 -3.40 116.25 118.17 1b22 h VAL 82 Ca 0.00 -3.01 -0.56 0.00 -1.01 0.00 0.00 66.70 62.12 1b22 h VAL 82 Cb 0.00 2.85 -0.08 0.00 -2.01 0.00 0.00 31.29 32.05 1b22 h VAL 82 CO 0.00 0.88 1.50 -2.16 -1.01 0.00 0.00 177.57 176.78 1b22 s PRO 83 N -2.76 3.45 -0.08 4.17 0.04 -1.26 -4.38 135.00 134.18 1b22 s PRO 83 Ca -0.04 -1.17 0.03 0.00 0.04 0.00 0.00 61.00 59.86 1b22 s PRO 83 Cb 0.08 -5.34 0.10 0.00 0.04 0.00 0.00 34.50 29.37 1b22 s PRO 83 CO 0.87 -2.49 0.75 -0.12 0.04 0.00 0.00 177.00 176.05 1b22 n MET 84 N 8.75 0.34 -0.16 4.56 1.56 -1.26 -5.04 117.12 125.87 1b22 n MET 84 Ca 0.38 -0.32 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1b22 n MET 84 Cb 0.49 0.14 0.00 0.00 2.15 0.00 0.00 33.22 36.00 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65