#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 -3.93 -3.23 5.31 4.71 -1.26 -4.83 120.64 117.41 1b22 n GLU 17 Ca 0.00 2.91 -0.45 0.00 -0.01 0.00 0.00 57.16 59.61 1b22 n GLU 17 Cb 0.00 -3.85 0.00 0.00 -1.01 0.00 0.00 31.44 26.58 1b22 n GLU 17 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1b22 n GLU 18 N 1.91 3.60 -3.24 3.49 0.00 -1.26 -5.00 120.64 120.13 1b22 n GLU 18 Ca -0.12 -4.34 -0.40 0.00 0.00 0.00 0.00 57.16 52.30 1b22 n GLU 18 Cb 0.18 -2.64 -0.08 0.00 0.00 0.00 0.00 31.44 28.91 1b22 n GLU 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1b22 s SER 19 N 1.30 6.42 -0.04 4.31 1.04 -1.26 -4.94 113.70 120.53 1b22 s SER 19 Ca 0.33 0.48 -0.07 0.00 0.48 0.00 0.00 55.95 57.17 1b22 s SER 19 Cb -0.07 -2.28 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 1b22 s SER 19 CO -0.05 -0.29 -0.14 0.33 0.98 0.00 0.00 173.24 174.06 1b22 n PHE 20 N 5.54 0.00 0.00 5.02 7.35 -1.26 -5.09 117.46 129.02 1b22 n PHE 20 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1b22 n PHE 20 Cb 0.50 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.12 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 2.36 1.95 0.12 7.13 0.00 -1.26 -5.01 105.19 110.48 1b22 n GLY 21 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -5.62 1.61 0.13 -1.98 -3.49 132.00 122.65 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 0.16 0.00 0.13 0.00 0.00 31.00 31.29 1b22 h PRO 22 CO 0.00 0.09 -0.73 1.04 -0.23 0.00 0.00 178.00 178.17 1b22 n GLN 23 N -2.78 -6.88 -0.88 0.86 3.00 -1.26 -4.61 117.38 104.82 1b22 n GLN 23 Ca -0.02 0.83 -0.28 0.00 -0.01 0.00 0.00 57.00 57.52 1b22 n GLN 23 Cb 0.63 -5.80 -0.03 0.00 0.00 0.00 0.00 30.24 25.04 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 -4.31 2.09 -0.26 -1.09 -0.04 -1.26 -2.73 135.00 127.39 1b22 n PRO 24 Ca -0.20 -1.61 -0.05 0.00 -0.04 0.00 0.00 63.50 61.60 1b22 n PRO 24 Cb 0.64 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 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 4.56 0.81 0.00 0.52 -5.35 -1.17 -4.46 119.36 114.26 1b22 n ILE 25 Ca 0.48 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1b22 n ILE 25 Cb 0.20 -1.66 0.00 0.00 -1.74 0.00 0.00 39.64 36.44 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 3.41 0.00 0.24 7.28 7.64 -1.25 -1.71 113.62 129.24 1b22 n SER 26 Ca 0.13 0.48 0.16 0.00 1.01 0.00 0.00 58.87 60.65 1b22 n SER 26 Cb 0.17 -0.30 0.72 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.00 0.00 1.43 2.43 -1.85 -2.30 114.38 114.09 1b22 h ARG 27 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b22 h ARG 27 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1b22 h ARG 27 CO 0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 1b22 n LEU 28 N -2.82 0.00 0.16 3.80 7.99 -1.25 -1.48 117.00 123.40 1b22 n LEU 28 Ca 0.00 0.59 0.09 0.00 -0.01 0.00 0.00 56.01 56.69 1b22 n LEU 28 Cb 0.23 -0.09 0.08 0.00 -0.11 0.00 0.00 43.42 43.53 1b22 n LEU 28 CO 0.23 -0.09 0.46 1.05 -1.51 0.00 0.00 177.39 177.53 1b22 h GLU 29 N 0.00 0.00 -0.04 3.23 -0.00 -1.70 -3.03 114.58 113.04 1b22 h GLU 29 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.22 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 0.10 -0.62 0.37 -0.00 0.00 0.00 179.01 178.86 1b22 h GLN 30 N 0.00 0.15 0.00 1.06 5.75 -1.50 -2.46 115.11 118.11 1b22 h GLN 30 Ca -0.01 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1b22 h GLN 30 Cb 1.11 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1b22 h GLN 30 CO 0.01 0.72 0.00 0.00 -2.65 0.00 0.00 178.83 176.92 1b22 n GLY 32 N 1.16 0.71 0.00 0.00 0.00 -0.93 -5.08 105.19 101.06 1b22 n GLY 32 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.23 -0.61 0.13 -1.14 -4.97 119.36 112.53 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 0.00 9.51 4.05 -1.26 -4.79 115.26 122.77 1b22 n ASN 34 Ca 0.00 0.00 0.23 0.00 0.45 0.00 0.00 54.58 55.26 1b22 n ASN 34 Cb 0.00 0.00 0.71 0.00 1.23 0.00 0.00 39.78 41.72 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1b22 h ALA 35 N -1.49 2.35 -0.64 5.20 0.00 -1.95 -2.72 119.26 120.02 1b22 h ALA 35 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1b22 h ALA 35 Cb 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1b22 h ALA 35 CO 0.00 -0.85 -0.47 -0.91 0.00 0.00 0.00 179.25 177.02 1b22 h ASN 36 N 0.00 -1.63 -0.40 0.00 2.35 -1.88 -1.97 115.58 112.05 1b22 h ASN 36 Ca 0.27 0.26 0.04 0.00 -0.55 0.00 0.00 56.30 56.32 1b22 h ASN 36 Cb 1.38 0.73 -0.05 0.00 0.05 0.00 0.00 38.32 40.44 1b22 h ASN 36 CO -0.00 -0.33 -0.24 0.47 -1.65 0.00 0.00 177.43 175.68 1b22 n ASP 37 N -5.39 -0.43 0.03 5.81 8.00 -1.03 0.25 116.55 123.81 1b22 n ASP 37 Ca 0.02 0.91 -0.02 0.00 0.71 0.00 0.00 54.79 56.41 1b22 n ASP 37 Cb 0.34 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1b22 n ASP 37 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1b22 h VAL 38 N 0.00 0.00 0.10 2.53 2.07 -1.59 -2.76 116.25 116.60 1b22 h VAL 38 Ca 0.06 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.30 1b22 h VAL 38 Cb 0.17 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1b22 h VAL 38 CO -0.38 0.00 -1.36 0.11 0.02 0.00 0.00 177.57 175.96 1b22 h LYS 39 N -0.10 0.21 0.31 1.57 1.57 -1.28 -2.94 116.57 115.91 1b22 h LYS 39 Ca -0.01 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1b22 h LYS 39 Cb 0.09 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1b22 h LYS 39 CO 0.00 1.10 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.61 1b22 h LYS 40 N 0.06 -0.41 0.00 3.15 3.11 0.33 -2.96 116.57 119.85 1b22 h LYS 40 Ca -0.17 0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.58 1b22 h LYS 40 Cb 1.97 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 33.27 1b22 h LYS 40 CO 0.17 -0.27 -0.54 1.37 -2.81 0.00 0.00 179.45 177.37 1b22 h LEU 41 N -0.76 0.00 0.00 5.20 8.10 -1.20 -3.25 115.31 123.39 1b22 h LEU 41 Ca -0.04 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.71 1b22 h LEU 41 Cb 0.32 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.50 1b22 h LEU 41 CO 0.07 0.54 -1.46 -0.08 -4.11 0.00 0.00 178.44 173.40 1b22 h GLU 42 N 0.00 0.00 0.00 0.17 4.81 -1.30 -0.84 114.58 117.42 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 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1b22 h GLU 42 CO 0.07 0.50 0.00 0.39 -0.73 0.00 0.00 179.01 179.24 1b22 n GLU 43 N -3.05 0.69 0.00 1.92 -0.58 -1.12 -4.56 120.64 113.95 1b22 n GLU 43 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1b22 n GLU 43 Cb 0.96 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 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 -0.79 0.00 0.00 0.62 0.00 -1.25 -5.03 120.51 114.06 1b22 n ALA 44 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1b22 n ALA 44 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 0.70 0.71 0.00 0.00 -0.32 -4.99 105.19 101.30 1b22 n GLY 45 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 0.43 -0.45 1.61 3.72 -1.23 -4.73 117.46 116.81 1b22 n PHE 46 Ca 0.00 -0.16 -0.40 0.00 -0.05 0.00 0.00 57.45 56.85 1b22 n PHE 46 Cb 0.00 -0.15 -0.10 0.00 -0.94 0.00 0.00 39.48 38.28 1b22 n PHE 46 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1b22 n HIS 47 N 0.11 0.04 -3.44 1.38 1.44 -1.26 -4.23 115.22 109.26 1b22 n HIS 47 Ca 0.06 -0.53 0.00 0.00 -2.01 0.00 0.00 57.72 55.24 1b22 n HIS 47 Cb 0.40 -0.75 0.00 0.00 0.12 0.00 0.00 29.99 29.76 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 6.74 0.00 -0.27 0.61 5.66 -0.69 -3.79 114.28 122.53 1b22 n THR 48 Ca 0.42 0.00 0.31 0.00 -3.05 0.00 0.00 64.05 61.72 1b22 n THR 48 Cb 0.37 0.00 0.48 0.00 -1.55 0.00 0.00 70.33 69.63 1b22 n THR 48 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 1b22 h VAL 49 N 0.00 0.01 -1.23 1.08 -1.51 -1.74 -0.66 116.25 112.20 1b22 h VAL 49 Ca 0.00 0.00 0.36 0.00 -1.23 0.00 0.00 66.70 65.83 1b22 h VAL 49 Cb 0.00 0.01 -0.05 0.00 -2.13 0.00 0.00 31.29 29.12 1b22 h VAL 49 CO 0.00 0.00 1.24 1.21 -1.23 0.00 0.00 177.57 178.79 1b22 n GLU 50 N -3.33 0.01 -0.37 5.19 4.07 -1.26 -0.73 120.64 124.22 1b22 n GLU 50 Ca 0.26 1.01 0.32 0.00 -0.06 0.00 0.00 57.16 58.68 1b22 n GLU 50 Cb 1.58 -2.47 0.58 0.00 -0.06 0.00 0.00 31.44 31.08 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1b22 h ALA 51 N 0.61 2.35 -3.81 4.31 0.00 -1.28 -3.39 119.26 118.05 1b22 h ALA 51 Ca 0.58 0.18 -0.62 0.00 0.00 0.00 0.00 54.91 55.05 1b22 h ALA 51 Cb 3.06 0.23 -0.22 0.00 0.00 0.00 0.00 17.79 20.86 1b22 h ALA 51 CO -0.01 -1.02 -0.85 0.08 0.00 0.00 0.00 179.25 177.45 1b22 s VAL 52 N -5.47 1.98 0.35 0.00 1.01 0.10 -4.53 120.40 113.84 1b22 s VAL 52 Ca -0.09 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1b22 s VAL 52 Cb 0.31 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1b22 s VAL 52 CO 0.80 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.93 1b22 n ALA 53 N 1.04 -3.74 -0.35 5.51 0.00 -1.26 -4.62 120.51 117.08 1b22 n ALA 53 Ca -0.19 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1b22 n ALA 53 Cb 0.53 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -4.19 0.00 -4.15 0.00 4.19 -1.26 -4.47 117.16 107.28 1b22 n TYR 54 Ca 0.00 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 60.92 1b22 n TYR 54 Cb 0.67 0.00 -0.17 0.00 0.49 0.00 0.00 39.34 40.33 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 -0.40 1.80 -0.25 2.98 0.00 -1.26 -5.08 121.76 119.55 1b22 s ALA 55 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 1b22 s ALA 55 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1b22 s ALA 55 CO 0.00 -0.29 1.56 -1.25 0.00 0.00 0.00 175.76 175.78 1b22 s PRO 56 N 1.34 3.77 0.38 0.00 0.04 -1.26 -4.68 135.00 134.60 1b22 s PRO 56 Ca 0.01 1.53 0.29 0.00 0.04 0.00 0.00 61.00 62.88 1b22 s PRO 56 Cb -0.13 -4.02 1.28 0.00 0.04 0.00 0.00 34.50 31.67 1b22 s PRO 56 CO -0.08 -1.32 1.32 0.36 0.04 0.00 0.00 177.00 177.33 1b22 n LYS 57 N 7.67 -0.03 0.22 4.56 2.85 -1.26 0.25 118.16 132.42 1b22 n LYS 57 Ca 0.18 1.05 0.06 0.00 -1.05 0.00 0.00 58.31 58.55 1b22 n LYS 57 Cb 0.46 -2.10 0.48 0.00 -0.65 0.00 0.00 35.03 33.22 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 0.02 -1.58 1.79 -1.89 -2.16 116.57 112.75 1b22 h LYS 58 Ca 0.75 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 59.10 1b22 h LYS 58 Cb 2.48 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 33.11 1b22 h LYS 58 CO -0.36 0.25 -0.65 1.49 -1.08 0.00 0.00 179.45 179.10 1b22 h GLU 59 N 0.00 0.04 0.20 3.15 4.81 0.30 -2.98 114.58 120.10 1b22 h GLU 59 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1b22 h GLU 59 Cb 0.47 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1b22 h GLU 59 CO 0.03 1.03 -0.39 1.25 -0.73 0.00 0.00 179.01 180.21 1b22 h LEU 60 N -0.90 -1.12 -1.81 1.64 5.85 -1.43 0.32 115.31 117.86 1b22 h LEU 60 Ca -0.17 0.11 0.35 0.00 0.84 0.00 0.00 57.88 59.01 1b22 h LEU 60 Cb 1.22 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 42.58 1b22 h LEU 60 CO -0.07 -0.45 0.86 0.16 -0.34 0.00 0.00 178.44 178.60 1b22 h ILE 61 N -0.63 0.38 0.00 4.05 -0.00 -1.56 1.57 117.51 121.32 1b22 h ILE 61 Ca -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 64.86 64.81 1b22 h ILE 61 Cb 0.60 0.28 0.00 0.00 -0.00 0.00 0.00 36.82 37.69 1b22 h ILE 61 CO -0.15 0.02 0.08 -3.20 -0.00 0.00 0.00 178.15 174.90 1b22 n ASN 62 N -4.30 0.00 0.00 2.16 5.15 0.11 -1.05 115.26 117.33 1b22 n ASN 62 Ca 0.28 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.63 1b22 n ASN 62 Cb 1.24 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 40.11 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 -1.37 0.00 0.03 -1.44 5.41 0.54 -3.49 119.36 119.05 1b22 n ILE 63 Ca 0.00 1.04 -0.11 0.00 1.00 0.00 0.00 62.75 64.67 1b22 n ILE 63 Cb 0.08 -1.85 0.01 0.00 -0.71 0.00 0.00 39.64 37.17 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 0.50 0.00 0.38 1.63 -1.79 -3.47 116.57 113.82 1b22 h LYS 64 Ca 0.00 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1b22 h LYS 64 Cb 0.00 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1b22 h LYS 64 CO 0.00 1.03 0.00 0.41 -3.45 0.00 0.00 179.45 177.44 1b22 n GLY 65 N 0.55 0.51 0.00 5.01 0.00 -0.85 -5.15 105.19 105.26 1b22 n GLY 65 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.00 -0.21 -4.91 119.36 113.63 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 0.23 4.38 3.41 -1.26 -4.47 113.62 115.91 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 0.72 0.00 -0.26 0.00 0.00 64.21 64.67 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 -2.90 114.58 117.12 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 0.08 3.43 0.00 -1.26 -1.60 120.51 119.34 1b22 n ALA 69 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1b22 n ALA 69 Cb 0.15 0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 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 0.48 0.00 0.00 2.10 -1.95 -2.89 116.57 114.30 1b22 h LYS 70 Ca 0.00 -0.71 0.00 0.00 -2.00 0.00 0.00 60.65 57.94 1b22 h LYS 70 Cb 0.00 0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1b22 h LYS 70 CO 0.00 1.32 0.00 0.00 -2.00 0.00 0.00 179.45 178.77 1b22 n ALA 71 N -2.68 -0.07 -0.27 0.07 0.00 -1.10 -1.71 120.51 114.76 1b22 n ALA 71 Ca -0.14 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.55 1b22 n ALA 71 Cb 0.93 0.15 0.59 0.00 0.00 0.00 0.00 19.45 21.12 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 0.28 -0.96 0.00 1.82 -1.48 0.68 116.42 116.75 1b22 h ASP 72 Ca 0.00 0.04 0.28 0.00 -0.39 0.00 0.00 57.03 56.96 1b22 h ASP 72 Cb 0.00 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 1b22 h ASP 72 CO 0.00 0.08 0.79 0.50 -1.61 0.00 0.00 179.24 179.00 1b22 h LYS 73 N 0.26 0.00 0.00 0.28 1.63 -1.10 1.08 116.57 118.71 1b22 h LYS 73 Ca 0.52 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 60.10 1b22 h LYS 73 Cb 1.56 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.16 1b22 h LYS 73 CO -0.16 0.00 -1.39 -0.84 -3.45 0.00 0.00 179.45 173.62 1b22 h ILE 74 N 0.00 0.86 0.00 2.00 -0.00 0.70 -3.10 117.51 117.97 1b22 h ILE 74 Ca 0.45 -2.53 0.00 0.00 -0.00 0.00 0.00 64.86 62.78 1b22 h ILE 74 Cb 2.03 2.36 0.00 0.00 -0.00 0.00 0.00 36.82 41.21 1b22 h ILE 74 CO -0.00 0.49 -0.08 -0.07 -0.00 0.00 0.00 178.15 178.49 1b22 h LEU 75 N 0.00 0.00 0.01 0.16 3.38 0.11 -2.08 115.31 116.88 1b22 h LEU 75 Ca -0.18 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 1b22 h LEU 75 Cb 1.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 1b22 h LEU 75 CO 0.07 0.01 -0.96 0.00 0.09 0.00 0.00 178.44 177.65 1b22 h ALA 76 N 2.42 0.20 -0.02 1.53 0.00 -0.38 -3.00 119.26 120.01 1b22 h ALA 76 Ca 0.00 -1.03 -0.16 0.00 0.00 0.00 0.00 54.91 53.72 1b22 h ALA 76 Cb 0.79 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1b22 h ALA 76 CO 0.00 0.54 -0.73 0.93 0.00 0.00 0.00 179.25 179.99 1b22 h GLU 77 N -0.95 0.11 0.02 0.00 4.39 -1.65 -2.19 114.58 114.32 1b22 h GLU 77 Ca -0.26 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 1b22 h GLU 77 Cb 1.26 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1b22 h GLU 77 CO -0.14 0.80 -0.01 0.00 -1.16 0.00 0.00 179.01 178.50 1b22 h ALA 78 N 1.17 -0.03 0.00 3.43 0.00 -1.55 0.25 119.26 122.54 1b22 h ALA 78 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1b22 h ALA 78 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1b22 h ALA 78 CO 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1b22 h ALA 79 N 0.21 1.00 -0.19 0.00 0.00 -1.61 -0.60 119.26 118.07 1b22 h ALA 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b22 h ALA 79 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1b22 h ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1b22 n LYS 80 N -2.54 1.76 0.00 0.00 5.02 -0.82 -4.74 118.16 116.84 1b22 n LYS 80 Ca 0.01 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 1b22 n LYS 80 Cb 0.24 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.59 0.07 -4.10 -0.35 0.00 0.07 -4.95 117.00 108.33 1b22 n LEU 81 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.72 1b22 n LEU 81 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.74 1b22 n LEU 81 CO 0.08 -0.32 0.51 0.55 0.00 0.00 0.00 177.39 178.20 1b22 n VAL 82 N -2.57 3.55 -2.43 1.96 3.14 -0.26 -5.04 118.33 116.68 1b22 n VAL 82 Ca 0.00 -5.26 -0.36 0.00 -2.96 0.00 0.00 64.34 55.76 1b22 n VAL 82 Cb 0.14 -2.38 -0.02 0.00 -1.06 0.00 0.00 33.84 30.52 1b22 n VAL 82 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1b22 s PRO 83 N -1.58 3.83 -0.39 1.45 0.04 -1.26 -4.70 135.00 132.39 1b22 s PRO 83 Ca 0.30 1.55 -0.39 0.00 0.04 0.00 0.00 61.00 62.50 1b22 s PRO 83 Cb -0.05 -2.29 -0.15 0.00 0.04 0.00 0.00 34.50 32.05 1b22 s PRO 83 CO -0.09 -0.44 2.10 0.00 0.04 0.00 0.00 177.00 178.61 1b22 n MET 84 N -0.63 0.71 0.00 4.56 0.00 -1.26 -5.16 117.12 115.34 1b22 n MET 84 Ca 0.08 0.21 0.13 0.00 0.00 0.00 0.00 57.70 58.12 1b22 n MET 84 Cb 0.50 -2.08 0.30 0.00 0.00 0.00 0.00 33.22 31.94 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38