#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 -3.60 -4.47 5.31 2.13 -1.26 -5.01 120.64 113.73 1b22 n GLU 17 Ca 0.00 2.76 -0.25 0.00 0.66 0.00 0.00 57.16 60.32 1b22 n GLU 17 Cb 0.00 -3.69 -0.13 0.00 0.27 0.00 0.00 31.44 27.88 1b22 n GLU 17 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1b22 s GLU 18 N -0.45 1.30 0.14 5.31 2.02 -1.26 -5.14 118.70 120.61 1b22 s GLU 18 Ca -0.17 -1.09 -0.11 0.00 0.02 0.00 0.00 54.97 53.62 1b22 s GLU 18 Cb 0.01 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.72 1b22 s GLU 18 CO 0.45 0.37 0.30 -1.12 0.02 0.00 0.00 175.26 175.28 1b22 s SER 19 N -1.60 -0.00 -0.21 -0.19 0.01 -1.26 -4.74 113.70 105.71 1b22 s SER 19 Ca 0.08 -0.69 0.09 0.00 1.31 0.00 0.00 55.95 56.74 1b22 s SER 19 Cb -0.10 0.43 -0.22 0.00 0.21 0.00 0.00 66.02 66.35 1b22 s SER 19 CO 0.03 -0.85 0.01 0.33 0.41 0.00 0.00 173.24 173.16 1b22 n PHE 20 N -0.18 0.16 0.00 2.43 7.35 -1.26 -5.05 117.46 120.91 1b22 n PHE 20 Ca -0.11 0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 1b22 n PHE 20 Cb 0.63 -1.03 0.00 0.00 0.35 0.00 0.00 39.48 39.43 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1b22 n GLY 21 N 1.97 1.18 0.06 7.13 0.00 -1.26 -4.95 105.19 109.32 1b22 n GLY 21 Ca -0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 1b22 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b22 h PRO 22 N 0.00 0.00 -5.80 1.61 0.13 -1.92 -3.47 132.00 122.55 1b22 h PRO 22 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1b22 h PRO 22 Cb 0.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.27 1b22 h PRO 22 CO 0.00 0.22 -0.86 1.04 -0.23 0.00 0.00 178.00 178.18 1b22 n GLN 23 N -4.71 -3.36 -0.72 0.86 1.13 -1.26 -4.13 117.38 105.19 1b22 n GLN 23 Ca -0.04 0.72 -0.23 0.00 -1.94 0.00 0.00 57.00 55.51 1b22 n GLN 23 Cb 0.15 -5.31 -0.02 0.00 0.11 0.00 0.00 30.24 25.17 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 -3.83 1.86 -0.39 -1.09 -0.04 -1.26 -1.91 135.00 128.34 1b22 n PRO 24 Ca -0.17 -1.42 -0.05 0.00 -0.04 0.00 0.00 63.50 61.82 1b22 n PRO 24 Cb 0.64 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.57 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 4.46 1.16 0.05 0.52 -5.35 -1.23 -4.40 119.36 114.58 1b22 n ILE 25 Ca 0.42 -0.59 -0.02 0.00 -0.27 0.00 0.00 62.75 62.29 1b22 n ILE 25 Cb 0.15 -1.70 -0.01 0.00 -1.74 0.00 0.00 39.64 36.34 1b22 n ILE 25 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1b22 h SER 26 N 4.90 -0.11 1.29 7.28 4.64 -1.84 -2.91 113.55 126.82 1b22 h SER 26 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1b22 h SER 26 Cb 0.57 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1b22 h SER 26 CO 0.42 -0.03 0.00 -0.09 -0.87 0.00 0.00 176.83 176.26 1b22 h ARG 27 N -0.22 0.00 0.00 4.77 1.12 -1.86 -2.64 114.38 115.55 1b22 h ARG 27 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1b22 h ARG 27 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1b22 h ARG 27 CO 0.02 0.00 0.00 1.28 -3.11 0.00 0.00 179.97 178.16 1b22 n LEU 28 N -2.48 0.00 0.07 3.80 7.99 -1.24 -2.44 117.00 122.70 1b22 n LEU 28 Ca 0.04 0.60 -0.01 0.00 -0.01 0.00 0.00 56.01 56.64 1b22 n LEU 28 Cb 0.37 -0.10 -0.05 0.00 -0.11 0.00 0.00 43.42 43.53 1b22 n LEU 28 CO 0.28 -0.10 -0.00 1.05 -1.51 0.00 0.00 177.39 177.10 1b22 h GLU 29 N 0.00 0.00 -0.09 3.23 -0.00 -1.72 -2.65 114.58 113.35 1b22 h GLU 29 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.25 1b22 h GLU 29 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 1b22 h GLU 29 CO 0.00 0.46 -0.45 0.37 -0.00 0.00 0.00 179.01 179.38 1b22 h GLN 30 N 0.00 0.21 0.00 1.06 4.15 -1.62 -1.86 115.11 117.06 1b22 h GLN 30 Ca -0.10 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1b22 h GLN 30 Cb 1.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.26 1b22 h GLN 30 CO 0.06 0.63 0.00 0.00 -1.93 0.00 0.00 178.83 177.59 1b22 n GLY 32 N 1.19 0.75 0.00 0.00 0.00 -0.70 -5.06 105.19 101.37 1b22 n GLY 32 Ca 0.15 -0.75 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 0.00 -0.61 0.13 -1.00 -4.94 119.36 112.94 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 0.15 9.51 3.02 -1.26 -4.84 115.26 121.84 1b22 n ASN 34 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 1b22 n ASN 34 Cb 0.00 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.48 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b22 h ALA 35 N -1.95 0.99 -0.74 5.41 0.00 -1.95 -3.38 119.26 117.64 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 -0.07 0.00 3.02 -1.26 -2.86 115.26 111.52 1b22 n ASN 36 Ca 0.05 0.88 -0.02 0.00 -0.03 0.00 0.00 54.58 55.46 1b22 n ASN 36 Cb 0.47 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 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 -2.14 -0.17 0.00 6.41 -0.08 -1.24 0.19 116.55 119.52 1b22 n ASP 37 Ca 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1b22 n ASP 37 Cb 0.00 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.37 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 -3.54 0.00 0.00 5.18 0.31 -1.14 -2.93 118.33 116.22 1b22 n VAL 38 Ca 0.00 1.45 -0.22 0.00 -0.01 0.00 0.00 64.34 65.57 1b22 n VAL 38 Cb 0.04 -2.16 -0.14 0.00 -0.91 0.00 0.00 33.84 30.67 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 0.25 0.19 5.55 6.56 -0.77 -2.97 116.57 125.38 1b22 h LYS 39 Ca 0.00 -0.42 0.01 0.00 -1.06 0.00 0.00 60.65 59.18 1b22 h LYS 39 Cb 0.00 0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 31.78 1b22 h LYS 39 CO 0.00 1.20 -0.47 0.87 -2.06 0.00 0.00 179.45 178.99 1b22 h LYS 40 N -0.19 -0.72 0.00 3.15 1.79 0.20 -2.85 116.57 117.95 1b22 h LYS 40 Ca -0.36 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1b22 h LYS 40 Cb 1.86 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 1b22 h LYS 40 CO 0.06 -0.48 -0.29 1.37 -1.08 0.00 0.00 179.45 179.02 1b22 h LEU 41 N -0.75 0.00 0.25 2.94 8.10 -1.51 -3.25 115.31 121.09 1b22 h LEU 41 Ca -0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 57.88 57.89 1b22 h LEU 41 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.96 1b22 h LEU 41 CO -0.23 0.04 -0.12 -0.08 -4.11 0.00 0.00 178.44 173.94 1b22 h GLU 42 N 0.00 -0.33 0.00 0.17 4.81 -1.33 0.96 114.58 118.87 1b22 h GLU 42 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1b22 h GLU 42 Cb 0.78 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 1b22 h GLU 42 CO 0.00 -0.22 -0.06 1.49 -0.73 0.00 0.00 179.01 179.50 1b22 h GLU 43 N -0.93 0.00 0.00 1.92 4.57 -1.75 -3.39 114.58 115.00 1b22 h GLU 43 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1b22 h GLU 43 Cb 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1b22 h GLU 43 CO 0.06 0.06 0.00 0.00 -1.18 0.00 0.00 179.01 177.94 1b22 n ALA 44 N -2.37 2.77 0.00 2.92 0.00 -1.24 -5.10 120.51 117.49 1b22 n ALA 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1b22 n ALA 44 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 3.29 0.82 1.21 0.00 0.00 0.33 -4.98 105.19 105.86 1b22 n GLY 45 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.32 1.61 3.01 -1.26 -4.70 117.46 115.96 1b22 n PHE 46 Ca 0.00 -0.73 -0.07 0.00 1.01 0.00 0.00 57.45 57.65 1b22 n PHE 46 Cb 0.00 -0.37 -0.03 0.00 -0.01 0.00 0.00 39.48 39.08 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 0.72 0.37 -3.49 1.38 1.44 -1.26 -4.17 115.22 110.21 1b22 n HIS 47 Ca 0.03 -0.86 0.00 0.00 -2.01 0.00 0.00 57.72 54.88 1b22 n HIS 47 Cb 0.54 -0.95 0.00 0.00 0.12 0.00 0.00 29.99 29.71 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 3.84 0.00 -0.41 0.61 5.66 -1.10 -3.80 114.28 119.08 1b22 n THR 48 Ca 0.17 0.00 0.35 0.00 -3.05 0.00 0.00 64.05 61.52 1b22 n THR 48 Cb 0.15 0.00 0.53 0.00 -1.55 0.00 0.00 70.33 69.46 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 4.44 0.00 0.27 1.08 0.24 -0.80 -0.03 118.33 123.52 1b22 n VAL 49 Ca 0.00 1.12 0.09 0.00 -2.04 0.00 0.00 64.34 63.51 1b22 n VAL 49 Cb 0.00 -1.93 0.47 0.00 -1.47 0.00 0.00 33.84 30.91 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 -1.86 7.34 5.08 -1.79 -2.35 114.58 121.00 1b22 h GLU 50 Ca 0.61 0.00 0.54 0.00 -1.00 0.00 0.00 59.36 59.52 1b22 h GLU 50 Cb 2.78 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.95 1b22 h GLU 50 CO -0.01 0.00 1.33 0.00 -1.00 0.00 0.00 179.01 179.34 1b22 h ALA 51 N 0.95 3.73 -0.32 3.43 0.00 -0.61 -2.51 119.26 123.93 1b22 h ALA 51 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1b22 h ALA 51 Cb 0.94 0.15 -0.24 0.00 0.00 0.00 0.00 17.79 18.65 1b22 h ALA 51 CO 0.00 -2.28 -0.64 1.55 0.00 0.00 0.00 179.25 177.88 1b22 n VAL 52 N -4.02 0.37 -2.67 0.00 3.14 -0.88 -4.85 118.33 109.42 1b22 n VAL 52 Ca 0.42 -1.98 -0.02 0.00 -2.96 0.00 0.00 64.34 59.80 1b22 n VAL 52 Cb 1.91 0.92 0.13 0.00 -1.06 0.00 0.00 33.84 35.75 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 2.91 0.00 1.55 0.00 -0.95 -4.97 120.51 118.50 1b22 n ALA 53 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1b22 n ALA 53 Cb 0.84 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.55 -0.29 -3.54 0.00 9.36 -1.26 -4.83 117.16 115.05 1b22 n TYR 54 Ca -0.18 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 60.93 1b22 n TYR 54 Cb 0.88 0.08 -0.03 0.00 -0.63 0.00 0.00 39.34 39.64 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1b22 s ALA 55 N -1.15 -1.33 -0.42 2.98 0.00 -1.26 -5.10 121.76 115.48 1b22 s ALA 55 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.90 1b22 s ALA 55 Cb 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 1b22 s ALA 55 CO 0.00 -0.76 1.87 -1.25 0.00 0.00 0.00 175.76 175.62 1b22 s PRO 56 N -3.79 3.04 0.34 0.00 0.04 -1.26 -4.84 135.00 128.52 1b22 s PRO 56 Ca 0.03 1.21 0.20 0.00 0.04 0.00 0.00 61.00 62.48 1b22 s PRO 56 Cb -0.01 -4.28 1.22 0.00 0.04 0.00 0.00 34.50 31.47 1b22 s PRO 56 CO -0.10 -2.22 1.42 1.63 0.04 0.00 0.00 177.00 177.77 1b22 n LYS 57 N 8.69 -0.05 -0.19 4.56 4.01 -1.26 0.18 118.16 134.10 1b22 n LYS 57 Ca 0.23 1.23 0.12 0.00 -0.51 0.00 0.00 58.31 59.38 1b22 n LYS 57 Cb 0.49 -2.23 0.44 0.00 -0.51 0.00 0.00 35.03 33.22 1b22 n LYS 57 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1b22 h LYS 58 N 0.00 0.55 0.18 1.97 3.64 -1.92 0.35 116.57 121.34 1b22 h LYS 58 Ca 0.77 -0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 59.78 1b22 h LYS 58 Cb 2.07 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 33.77 1b22 h LYS 58 CO -0.67 0.36 -1.63 1.05 -2.27 0.00 0.00 179.45 176.29 1b22 h GLU 59 N 0.57 0.38 0.61 1.90 -0.00 0.15 -2.76 114.58 115.43 1b22 h GLU 59 Ca 0.37 -0.65 -0.03 0.00 -0.00 0.00 0.00 59.36 59.05 1b22 h GLU 59 Cb 0.64 0.24 0.01 0.00 -0.00 0.00 0.00 28.75 29.64 1b22 h GLU 59 CO -0.13 1.28 -0.29 1.25 -0.00 0.00 0.00 179.01 181.11 1b22 h LEU 60 N 0.10 -0.70 -1.86 3.06 5.85 -0.88 -1.26 115.31 119.63 1b22 h LEU 60 Ca -0.30 -0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.62 1b22 h LEU 60 Cb 2.09 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 43.27 1b22 h LEU 60 CO 0.19 -0.41 0.68 0.16 -0.34 0.00 0.00 178.44 178.72 1b22 h ILE 61 N -0.96 0.36 0.00 4.05 -0.00 -0.45 0.19 117.51 120.70 1b22 h ILE 61 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.78 1b22 h ILE 61 Cb 0.67 0.49 0.00 0.00 -0.00 0.00 0.00 36.82 37.98 1b22 h ILE 61 CO 0.14 0.00 0.73 -1.13 -0.00 0.00 0.00 178.15 177.89 1b22 h ASN 62 N 0.00 0.00 0.00 2.16 -0.00 -0.91 -2.92 115.58 113.92 1b22 h ASN 62 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 1b22 h ASN 62 Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.02 1b22 h ASN 62 CO -0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 177.43 177.05 1b22 n ILE 63 N -2.42 0.00 -0.09 2.57 5.41 0.66 -1.85 119.36 123.65 1b22 n ILE 63 Ca -0.01 0.84 -0.12 0.00 1.00 0.00 0.00 62.75 64.46 1b22 n ILE 63 Cb 0.74 -1.42 0.09 0.00 -0.71 0.00 0.00 39.64 38.34 1b22 n ILE 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1b22 n LYS 64 N -0.62 1.61 -3.74 0.38 3.00 -1.12 -4.86 118.16 112.81 1b22 n LYS 64 Ca 0.00 -1.46 -0.32 0.00 -0.00 0.00 0.00 58.31 56.53 1b22 n LYS 64 Cb 0.00 -1.57 0.04 0.00 0.00 0.00 0.00 35.03 33.49 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 -0.30 -0.89 0.18 3.14 0.00 -0.77 -4.91 105.19 101.64 1b22 n GLY 65 Ca 0.29 0.41 -0.14 0.00 0.00 0.00 0.00 46.02 46.58 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 -4.27 1.46 -4.06 -0.61 -0.00 -1.12 -5.00 119.36 105.76 1b22 n ILE 66 Ca -0.12 0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 1b22 n ILE 66 Cb 0.60 -2.17 0.00 0.00 -0.00 0.00 0.00 39.64 38.07 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 -4.32 0.00 0.27 4.38 2.88 -1.26 -3.50 113.62 112.07 1b22 n SER 67 Ca -0.24 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.41 1b22 n SER 67 Cb 0.59 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.61 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 4.81 -1.95 -3.00 114.58 112.98 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b22 h GLU 68 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1b22 h GLU 68 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1b22 n ALA 69 N -1.72 -0.05 0.04 2.92 0.00 -1.23 -1.80 120.51 118.66 1b22 n ALA 69 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1b22 n ALA 69 Cb 0.43 0.27 -0.14 0.00 0.00 0.00 0.00 19.45 20.00 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 0.31 -0.22 0.00 2.10 -1.84 -2.89 116.57 114.03 1b22 h LYS 70 Ca 0.00 -0.54 0.03 0.00 -2.00 0.00 0.00 60.65 58.14 1b22 h LYS 70 Cb 0.00 0.20 -0.05 0.00 -0.90 0.00 0.00 32.23 31.48 1b22 h LYS 70 CO 0.00 1.26 -0.34 0.00 -2.00 0.00 0.00 179.45 178.36 1b22 h ALA 71 N 0.03 -0.62 -0.76 0.07 0.00 -1.61 -0.11 119.26 116.25 1b22 h ALA 71 Ca -0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1b22 h ALA 71 Cb 1.91 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 20.61 1b22 h ALA 71 CO 0.11 -0.78 0.35 0.22 0.00 0.00 0.00 179.25 179.16 1b22 h ASP 72 N -0.27 0.99 -0.98 0.00 3.58 -1.54 -1.57 116.42 116.64 1b22 h ASP 72 Ca 0.04 -0.12 0.28 0.00 0.42 0.00 0.00 57.03 57.65 1b22 h ASP 72 Cb 0.38 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1b22 h ASP 72 CO -0.35 0.85 0.71 0.50 -2.88 0.00 0.00 179.24 178.07 1b22 h LYS 73 N 1.08 0.00 0.00 0.28 1.63 -0.87 -1.58 116.57 117.12 1b22 h LYS 73 Ca 0.26 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.92 1b22 h LYS 73 Cb 0.12 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1b22 h LYS 73 CO -0.03 0.00 -0.79 0.82 -3.45 0.00 0.00 179.45 176.00 1b22 h ILE 74 N 0.00 1.13 -1.38 2.00 1.08 -0.11 -2.87 117.51 117.35 1b22 h ILE 74 Ca 0.46 -2.14 0.40 0.00 -0.39 0.00 0.00 64.86 63.19 1b22 h ILE 74 Cb 1.89 2.43 -0.06 0.00 -3.07 0.00 0.00 36.82 38.01 1b22 h ILE 74 CO -0.00 0.38 1.04 -0.07 -0.69 0.00 0.00 178.15 178.81 1b22 h LEU 75 N -1.00 0.00 0.08 1.44 -0.00 -0.91 0.77 115.31 115.69 1b22 h LEU 75 Ca -0.21 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.42 1b22 h LEU 75 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 1b22 h LEU 75 CO -0.13 0.00 -1.28 0.00 -0.00 0.00 0.00 178.44 177.03 1b22 h ALA 76 N 1.22 0.20 0.00 1.53 0.00 -1.48 -2.84 119.26 117.89 1b22 h ALA 76 Ca 0.66 -1.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1b22 h ALA 76 Cb 2.73 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 21.03 1b22 h ALA 76 CO -0.01 0.75 -0.22 0.93 0.00 0.00 0.00 179.25 180.71 1b22 h GLU 77 N -0.52 0.00 0.06 0.00 4.39 -0.39 -2.30 114.58 115.82 1b22 h GLU 77 Ca -0.29 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1b22 h GLU 77 Cb 1.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1b22 h GLU 77 CO -0.01 0.22 -0.03 0.00 -1.16 0.00 0.00 179.01 178.02 1b22 h ALA 78 N 1.78 -0.09 0.00 3.43 0.00 0.26 -1.06 119.26 123.59 1b22 h ALA 78 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1b22 h ALA 78 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1b22 h ALA 78 CO 0.03 -0.10 0.14 0.00 0.00 0.00 0.00 179.25 179.32 1b22 h ALA 79 N -0.57 1.12 0.03 0.00 0.00 -1.47 0.81 119.26 119.18 1b22 h ALA 79 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 1b22 h ALA 79 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1b22 h ALA 79 CO 0.01 -0.12 -2.36 1.63 0.00 0.00 0.00 179.25 178.41 1b22 n LYS 80 N -2.56 0.68 0.09 0.00 5.02 -0.87 -3.74 118.16 116.77 1b22 n LYS 80 Ca -0.02 0.17 0.04 0.00 -2.02 0.00 0.00 58.31 56.49 1b22 n LYS 80 Cb 0.19 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1b22 h LEU 81 N 0.02 0.00 -5.08 -0.35 4.07 -0.49 -3.37 115.31 110.11 1b22 h LEU 81 Ca -0.54 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 56.90 1b22 h LEU 81 Cb 1.94 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 43.27 1b22 h LEU 81 CO -0.04 0.38 -0.88 0.52 -1.08 0.00 0.00 178.44 177.34 1b22 n VAL 82 N -2.93 1.85 -1.48 1.22 0.31 0.28 -4.98 118.33 112.60 1b22 n VAL 82 Ca -0.04 -4.66 -0.41 0.00 -0.01 0.00 0.00 64.34 59.23 1b22 n VAL 82 Cb 0.73 -0.73 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 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 -0.20 1.85 -3.41 5.55 -0.04 -1.25 -4.70 135.00 132.80 1b22 n PRO 83 Ca 0.28 -2.16 -0.11 0.00 -0.04 0.00 0.00 63.50 61.48 1b22 n PRO 83 Cb 0.62 -3.14 -0.09 0.00 -0.04 0.00 0.00 33.50 30.84 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 4.88 0.31 0.00 0.54 1.75 -1.26 -5.10 119.30 120.42 1b22 s MET 84 Ca 0.57 0.53 0.00 0.00 -1.25 0.00 0.00 55.69 55.54 1b22 s MET 84 Cb 0.11 -0.52 0.00 0.00 2.84 0.00 0.00 34.83 37.26 1b22 s MET 84 CO 0.08 -0.60 0.40 0.41 -0.65 0.00 0.00 175.02 174.66