#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 0.62 -1.19 3.49 -0.58 -1.26 -5.06 120.64 116.66 1b22 n GLU 17 Ca 0.00 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.90 1b22 n GLU 17 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1b22 n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1b22 n GLU 18 N 0.00 -2.40 -2.81 3.49 2.13 -1.26 -4.88 120.64 114.91 1b22 n GLU 18 Ca 0.00 1.58 -0.21 0.00 0.66 0.00 0.00 57.16 59.19 1b22 n GLU 18 Cb 0.00 -2.93 0.07 0.00 0.27 0.00 0.00 31.44 28.85 1b22 n GLU 18 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1b22 s SER 19 N -6.55 4.91 0.00 4.31 1.04 -1.26 -5.03 113.70 111.13 1b22 s SER 19 Ca 0.00 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 55.97 1b22 s SER 19 Cb 0.00 -0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.07 1b22 s SER 19 CO 0.00 -1.43 0.89 0.33 0.98 0.00 0.00 173.24 174.00 1b22 n PHE 20 N -2.43 0.00 0.00 5.02 -0.00 -1.26 -5.08 117.46 113.71 1b22 n PHE 20 Ca 0.13 -0.11 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1b22 n PHE 20 Cb 0.61 0.06 0.00 0.00 -0.00 0.00 0.00 39.48 40.15 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1b22 n GLY 21 N 0.07 3.85 3.90 7.13 0.00 -1.26 -5.15 105.19 113.72 1b22 n GLY 21 Ca -0.01 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 3.56 2.99 -0.29 1.61 0.04 -1.26 -5.03 135.00 136.62 1b22 s PRO 22 Ca 0.00 0.31 0.20 0.00 0.04 0.00 0.00 61.00 61.55 1b22 s PRO 22 Cb 0.00 -2.14 0.48 0.00 0.04 0.00 0.00 34.50 32.89 1b22 s PRO 22 CO 0.00 -0.82 1.17 0.94 0.04 0.00 0.00 177.00 178.33 1b22 n GLN 23 N -2.79 1.58 -0.47 4.56 -0.06 -1.26 -4.96 117.38 113.98 1b22 n GLN 23 Ca 0.06 -3.04 -0.15 0.00 -2.00 0.00 0.00 57.00 51.87 1b22 n GLN 23 Cb 0.57 -1.17 -0.01 0.00 -4.06 0.00 0.00 30.24 25.56 1b22 n GLN 23 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1b22 n PRO 24 N -0.70 1.24 0.00 3.69 -0.04 -1.26 -1.00 135.00 136.93 1b22 n PRO 24 Ca 0.03 -1.10 0.06 0.00 -0.04 0.00 0.00 63.50 62.44 1b22 n PRO 24 Cb 0.82 -2.30 0.26 0.00 -0.04 0.00 0.00 33.50 32.24 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 4.63 1.12 -0.06 0.52 -5.35 -1.26 -3.83 119.36 115.13 1b22 n ILE 25 Ca 0.28 0.28 -0.02 0.00 -0.27 0.00 0.00 62.75 63.03 1b22 n ILE 25 Cb 0.10 -1.07 -0.01 0.00 -1.74 0.00 0.00 39.64 36.91 1b22 n ILE 25 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1b22 n SER 26 N -1.48 -0.15 -0.05 7.28 7.64 -1.23 0.76 113.62 126.39 1b22 n SER 26 Ca 0.03 1.09 0.20 0.00 1.01 0.00 0.00 58.87 61.20 1b22 n SER 26 Cb 0.14 -0.45 0.66 0.00 -1.01 0.00 0.00 64.21 63.54 1b22 n SER 26 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1b22 h ARG 27 N 0.00 0.08 0.10 1.43 2.43 -1.86 0.60 114.38 117.15 1b22 h ARG 27 Ca 0.02 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1b22 h ARG 27 Cb 0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1b22 h ARG 27 CO -0.13 0.05 -0.05 1.25 -1.51 0.00 0.00 179.97 179.59 1b22 h LEU 28 N 0.08 -0.11 0.06 3.80 5.85 0.13 -2.85 115.31 122.28 1b22 h LEU 28 Ca 0.29 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.76 1b22 h LEU 28 Cb 1.04 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1b22 h LEU 28 CO -0.03 0.00 -1.15 1.05 -0.34 0.00 0.00 178.44 177.97 1b22 h GLU 29 N -0.28 0.21 -0.07 1.25 -0.00 -0.72 -2.41 114.58 112.54 1b22 h GLU 29 Ca -0.01 -0.34 -0.11 0.00 -0.00 0.00 0.00 59.36 58.90 1b22 h GLU 29 Cb 0.10 0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 28.96 1b22 h GLU 29 CO 0.02 1.15 -0.45 0.37 -0.00 0.00 0.00 179.01 180.10 1b22 h GLN 30 N 0.06 0.17 0.00 1.06 4.15 0.11 -2.34 115.11 118.32 1b22 h GLN 30 Ca -0.10 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1b22 h GLN 30 Cb 1.88 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.57 1b22 h GLN 30 CO 0.18 0.59 0.00 0.00 -1.93 0.00 0.00 178.83 177.68 1b22 n GLY 32 N 1.24 0.57 0.00 0.00 0.00 -0.88 -5.06 105.19 101.05 1b22 n GLY 32 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.30 -0.61 3.06 -0.92 -4.92 119.36 115.68 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 -3.20 -2.50 0.00 0.00 176.55 170.85 1b22 n ASN 34 N 0.00 0.00 -0.12 9.51 2.85 -1.26 -4.77 115.26 121.47 1b22 n ASN 34 Ca 0.00 0.00 0.27 0.00 -0.11 0.00 0.00 54.58 54.74 1b22 n ASN 34 Cb 0.00 0.00 0.68 0.00 1.24 0.00 0.00 39.78 41.70 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 -1.79 2.64 -1.00 5.20 0.00 -1.95 -2.17 119.26 120.19 1b22 h ALA 35 Ca 0.00 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.16 1b22 h ALA 35 Cb 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 17.79 17.67 1b22 h ALA 35 CO 0.00 -1.18 0.03 0.09 0.00 0.00 0.00 179.25 178.19 1b22 n ASN 36 N -3.75 -0.11 0.00 0.00 4.13 -1.26 -2.28 115.26 111.98 1b22 n ASN 36 Ca 0.17 1.69 0.00 0.00 1.68 0.00 0.00 54.58 58.12 1b22 n ASN 36 Cb 1.04 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 1b22 n ASN 36 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1b22 n ASP 37 N -5.49 0.00 0.22 6.41 9.92 -0.82 0.13 116.55 126.91 1b22 n ASP 37 Ca 0.24 0.43 -0.17 0.00 -0.53 0.00 0.00 54.79 54.76 1b22 n ASP 37 Cb 0.77 -0.09 -0.09 0.00 -0.64 0.00 0.00 41.12 41.08 1b22 n ASP 37 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1b22 h VAL 38 N 0.00 0.08 0.05 2.53 2.07 -1.73 -3.07 116.25 116.19 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 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1b22 h VAL 38 CO 0.00 0.00 -0.02 0.11 0.02 0.00 0.00 177.57 177.68 1b22 h LYS 39 N -0.85 -0.06 -0.90 1.57 6.56 -1.27 -2.88 116.57 118.73 1b22 h LYS 39 Ca -0.03 0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.65 1b22 h LYS 39 Cb 0.78 0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.35 1b22 h LYS 39 CO -0.14 -0.04 -0.57 0.87 -2.06 0.00 0.00 179.45 177.51 1b22 h LYS 40 N -0.26 -0.05 0.00 3.15 1.79 0.87 -2.55 116.57 119.52 1b22 h LYS 40 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1b22 h LYS 40 Cb 0.05 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1b22 h LYS 40 CO 0.01 -0.03 -0.56 1.37 -1.08 0.00 0.00 179.45 179.15 1b22 h LEU 41 N -0.05 0.00 0.11 2.94 8.10 -1.38 -3.14 115.31 121.89 1b22 h LEU 41 Ca 0.15 -0.14 -0.01 0.00 0.11 0.00 0.00 57.88 57.99 1b22 h LEU 41 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1b22 h LEU 41 CO -0.88 0.07 -0.05 -0.08 -4.11 0.00 0.00 178.44 173.39 1b22 h GLU 42 N 0.00 -0.14 0.00 0.17 4.57 -1.23 -2.77 114.58 115.18 1b22 h GLU 42 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1b22 h GLU 42 Cb 0.80 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1b22 h GLU 42 CO 0.00 0.06 0.00 -0.85 -1.18 0.00 0.00 179.01 177.04 1b22 n GLU 43 N -4.86 0.00 -0.11 1.92 -0.00 -1.18 -4.24 120.64 112.17 1b22 n GLU 43 Ca -0.04 0.79 -0.23 0.00 -0.00 0.00 0.00 57.16 57.68 1b22 n GLU 43 Cb 0.14 -1.32 -0.08 0.00 -0.00 0.00 0.00 31.44 30.18 1b22 n GLU 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1b22 n ALA 44 N -2.24 1.38 0.00 -1.84 0.00 -1.26 -5.04 120.51 111.50 1b22 n ALA 44 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1b22 n ALA 44 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 1.51 0.73 0.08 0.00 0.00 -1.04 -5.01 105.19 101.46 1b22 n GLY 45 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.58 1.61 3.01 -1.19 -4.60 117.46 115.71 1b22 n PHE 46 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.13 1b22 n PHE 46 Cb 0.00 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.39 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 -0.40 0.59 0.00 1.38 1.44 -1.26 -4.39 115.22 112.59 1b22 n HIS 47 Ca 0.00 -0.96 0.00 0.00 -2.01 0.00 0.00 57.72 54.75 1b22 n HIS 47 Cb 0.03 -1.04 0.00 0.00 0.12 0.00 0.00 29.99 29.10 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 6.07 0.00 -0.46 0.61 -2.24 -1.26 -3.54 114.28 113.46 1b22 n THR 48 Ca 0.38 0.00 0.34 0.00 -2.27 0.00 0.00 64.05 62.50 1b22 n THR 48 Cb 0.30 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.06 1b22 n THR 48 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1b22 n VAL 49 N -0.21 0.00 -0.18 2.28 0.24 -0.17 -1.14 118.33 119.15 1b22 n VAL 49 Ca 0.00 0.96 0.26 0.00 -2.04 0.00 0.00 64.34 63.52 1b22 n VAL 49 Cb 0.00 -1.60 0.41 0.00 -1.47 0.00 0.00 33.84 31.18 1b22 n VAL 49 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1b22 h GLU 50 N 0.00 0.00 0.00 7.34 4.57 -1.80 0.58 114.58 125.28 1b22 h GLU 50 Ca 0.60 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.78 1b22 h GLU 50 Cb 2.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.03 1b22 h GLU 50 CO -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.82 1b22 n ALA 51 N -2.20 1.05 -2.78 2.92 0.00 -0.29 -4.36 120.51 114.85 1b22 n ALA 51 Ca 0.22 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 1b22 n ALA 51 Cb 1.49 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 1b22 n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1b22 s VAL 52 N -3.51 5.44 0.00 0.00 0.11 0.20 -4.85 120.40 117.79 1b22 s VAL 52 Ca -0.02 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1b22 s VAL 52 Cb 0.06 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 1b22 s VAL 52 CO 0.19 0.51 0.00 0.00 -3.33 0.00 0.00 175.10 172.46 1b22 n ALA 53 N 2.92 0.00 -0.87 1.54 0.00 -1.26 -4.50 120.51 118.33 1b22 n ALA 53 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1b22 n ALA 53 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 4.24 0.00 -5.06 0.00 4.01 -1.26 -4.45 117.16 114.63 1b22 n TYR 54 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1b22 n TYR 54 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b22 s ALA 55 N -1.00 2.35 -0.28 -0.72 0.00 -1.26 -5.07 121.76 115.78 1b22 s ALA 55 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 1b22 s ALA 55 Cb 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1b22 s ALA 55 CO 0.00 0.31 1.63 -1.25 0.00 0.00 0.00 175.76 176.45 1b22 s PRO 56 N 0.21 3.65 0.34 0.00 0.04 -1.26 -4.84 135.00 133.14 1b22 s PRO 56 Ca -0.12 1.50 0.20 0.00 0.04 0.00 0.00 61.00 62.61 1b22 s PRO 56 Cb -0.16 -4.07 1.24 0.00 0.04 0.00 0.00 34.50 31.54 1b22 s PRO 56 CO 0.07 -1.47 1.43 0.36 0.04 0.00 0.00 177.00 177.43 1b22 n LYS 57 N 7.90 -0.05 0.10 4.56 2.85 -1.26 0.27 118.16 132.52 1b22 n LYS 57 Ca 0.19 1.24 0.11 0.00 -1.05 0.00 0.00 58.31 58.80 1b22 n LYS 57 Cb 0.46 -2.24 0.60 0.00 -0.65 0.00 0.00 35.03 33.20 1b22 n LYS 57 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1b22 h LYS 58 N 0.00 0.14 0.00 -1.58 2.10 -1.89 -0.41 116.57 114.94 1b22 h LYS 58 Ca 0.77 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 59.40 1b22 h LYS 58 Cb 2.09 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 33.39 1b22 h LYS 58 CO -0.67 0.09 -0.10 1.49 -2.00 0.00 0.00 179.45 178.27 1b22 h GLU 59 N 0.15 0.00 0.18 0.07 4.81 0.34 -2.86 114.58 117.27 1b22 h GLU 59 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1b22 h GLU 59 Cb 0.33 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1b22 h GLU 59 CO -0.02 0.93 -0.42 1.25 -0.73 0.00 0.00 179.01 180.03 1b22 h LEU 60 N -1.00 -1.23 -1.89 1.64 5.85 -1.13 0.25 115.31 117.80 1b22 h LEU 60 Ca -0.03 0.12 0.37 0.00 0.84 0.00 0.00 57.88 59.19 1b22 h LEU 60 Cb 0.96 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 1b22 h LEU 60 CO -0.02 -0.47 0.91 0.16 -0.34 0.00 0.00 178.44 178.68 1b22 h ILE 61 N -0.66 0.35 0.00 4.05 -0.00 -1.22 0.77 117.51 120.80 1b22 h ILE 61 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 64.86 64.82 1b22 h ILE 61 Cb 0.63 0.29 0.00 0.00 -0.00 0.00 0.00 36.82 37.75 1b22 h ILE 61 CO -0.18 0.01 0.34 -3.20 -0.00 0.00 0.00 178.15 175.12 1b22 n ASN 62 N -4.23 0.21 0.00 2.16 5.15 0.86 -1.79 115.26 117.63 1b22 n ASN 62 Ca 0.29 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.71 1b22 n ASN 62 Cb 1.32 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 40.19 1b22 n ASN 62 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1b22 n ILE 63 N -1.81 0.00 0.20 -1.44 5.41 0.27 -3.24 119.36 118.75 1b22 n ILE 63 Ca -0.01 1.12 0.08 0.00 1.00 0.00 0.00 62.75 64.94 1b22 n ILE 63 Cb 0.35 -1.96 0.28 0.00 -0.71 0.00 0.00 39.64 37.61 1b22 n ILE 63 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1b22 h LYS 64 N 0.00 0.00 0.00 0.38 6.56 -1.78 -3.46 116.57 118.27 1b22 h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1b22 h LYS 64 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1b22 h LYS 64 CO 0.00 0.27 0.00 0.41 -2.06 0.00 0.00 179.45 178.07 1b22 n GLY 65 N 0.65 1.87 0.00 3.86 0.00 -0.76 -5.13 105.19 105.67 1b22 n GLY 65 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.10 0.00 0.00 -0.61 -0.00 -0.74 -4.90 119.36 113.02 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 0.23 4.38 2.88 -1.26 -4.52 113.62 115.33 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 0.75 0.00 -0.75 0.00 0.00 64.21 64.21 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 -2.87 114.58 113.39 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 0.08 3.43 0.00 -1.26 -0.61 120.51 120.31 1b22 n ALA 69 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1b22 n ALA 69 Cb 0.14 0.21 -0.15 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 0.38 0.04 0.00 5.09 -1.96 -3.13 116.57 116.98 1b22 h LYS 70 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 60.65 60.12 1b22 h LYS 70 Cb 0.00 0.23 -0.01 0.00 0.10 0.00 0.00 32.23 32.55 1b22 h LYS 70 CO 0.00 1.30 -0.16 0.00 -2.09 0.00 0.00 179.45 178.50 1b22 h ALA 71 N 0.11 -0.69 -0.66 0.07 0.00 -1.56 -2.41 119.26 114.12 1b22 h ALA 71 Ca -0.17 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1b22 h ALA 71 Cb 1.78 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 20.02 1b22 h ALA 71 CO 0.19 -0.73 -0.20 0.22 0.00 0.00 0.00 179.25 178.73 1b22 h ASP 72 N -0.22 -0.72 -1.23 0.00 3.58 -1.02 0.72 116.42 117.52 1b22 h ASP 72 Ca -0.00 0.21 0.36 0.00 0.42 0.00 0.00 57.03 58.01 1b22 h ASP 72 Cb 0.22 0.45 -0.05 0.00 1.72 0.00 0.00 39.33 41.67 1b22 h ASP 72 CO -0.08 -0.24 1.04 0.50 -2.88 0.00 0.00 179.24 177.58 1b22 h LYS 73 N -0.03 0.00 0.00 0.28 1.63 -1.38 0.11 116.57 117.18 1b22 h LYS 73 Ca 0.31 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.07 1b22 h LYS 73 Cb 0.51 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1b22 h LYS 73 CO -0.70 0.00 -0.25 0.97 -3.45 0.00 0.00 179.45 176.03 1b22 h ILE 74 N 0.00 1.33 0.00 2.00 6.09 0.75 -2.17 117.51 125.51 1b22 h ILE 74 Ca 0.58 -2.08 0.00 0.00 -1.37 0.00 0.00 64.86 61.99 1b22 h ILE 74 Cb 2.66 2.60 0.00 0.00 0.47 0.00 0.00 36.82 42.54 1b22 h ILE 74 CO -0.01 0.45 0.00 -0.07 -3.07 0.00 0.00 178.15 175.45 1b22 h LEU 75 N -1.00 0.00 0.05 2.19 3.38 -0.68 0.71 115.31 119.96 1b22 h LEU 75 Ca -0.06 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 1b22 h LEU 75 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1b22 h LEU 75 CO -0.04 0.00 -1.28 0.00 0.09 0.00 0.00 178.44 177.21 1b22 h ALA 76 N 2.01 0.24 -0.24 1.53 0.00 -0.96 -2.48 119.26 119.35 1b22 h ALA 76 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 54.91 53.69 1b22 h ALA 76 Cb 0.05 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1b22 h ALA 76 CO 0.00 0.75 -0.26 0.93 0.00 0.00 0.00 179.25 180.68 1b22 h GLU 77 N -0.64 0.47 0.08 0.00 4.39 -0.91 -1.89 114.58 116.08 1b22 h GLU 77 Ca -0.31 -0.18 -0.25 0.00 0.34 0.00 0.00 59.36 58.96 1b22 h GLU 77 Cb 1.51 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1b22 h GLU 77 CO -0.07 0.69 -1.14 0.00 -1.16 0.00 0.00 179.01 177.33 1b22 h ALA 78 N 1.32 0.20 0.00 3.43 0.00 -1.03 0.24 119.26 123.43 1b22 h ALA 78 Ca 0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 1b22 h ALA 78 Cb 0.67 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1b22 h ALA 78 CO 0.05 0.98 -0.08 0.00 0.00 0.00 0.00 179.25 180.20 1b22 h ALA 79 N 0.69 1.01 0.00 0.00 0.00 -1.25 1.16 119.26 120.87 1b22 h ALA 79 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1b22 h ALA 79 Cb 1.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1b22 h ALA 79 CO 0.18 0.10 -0.80 0.36 0.00 0.00 0.00 179.25 179.09 1b22 n LYS 80 N -3.20 2.60 0.00 0.00 -0.00 -0.73 -4.52 118.16 112.31 1b22 n LYS 80 Ca 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1b22 n LYS 80 Cb 0.36 -1.06 0.00 0.00 -0.00 0.00 0.00 35.03 34.33 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 -1.44 0.00 -2.90 -5.58 7.94 0.85 -4.78 117.00 111.09 1b22 n LEU 81 Ca 0.01 -0.18 -0.23 0.00 -1.11 0.00 0.00 56.01 54.50 1b22 n LEU 81 Cb 0.19 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.12 1b22 n LEU 81 CO 0.21 0.00 0.02 0.52 -1.11 0.00 0.00 177.39 177.03 1b22 n VAL 82 N -1.19 1.84 0.89 1.96 0.31 0.40 -4.84 118.33 117.70 1b22 n VAL 82 Ca 0.00 -4.93 0.10 0.00 -0.01 0.00 0.00 64.34 59.49 1b22 n VAL 82 Cb 0.00 -0.84 0.48 0.00 -0.91 0.00 0.00 33.84 32.57 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 -0.12 0.24 -4.19 5.55 -0.04 -1.20 -4.63 135.00 130.61 1b22 n PRO 83 Ca 0.28 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.72 1b22 n PRO 83 Cb 0.56 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 1b22 n PRO 83 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1b22 s MET 84 N -2.64 1.41 0.00 0.54 1.75 -1.26 -4.84 119.30 114.26 1b22 s MET 84 Ca 0.17 -1.69 0.00 0.00 -1.25 0.00 0.00 55.69 52.92 1b22 s MET 84 Cb 0.13 0.32 0.00 0.00 2.84 0.00 0.00 34.83 38.12 1b22 s MET 84 CO 0.31 -0.50 0.34 0.41 -0.65 0.00 0.00 175.02 174.93