#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocd s ASP 2 N 0.00 -0.49 -0.01 1.61 1.11 -1.26 -4.93 116.67 112.69 1ocd s ASP 2 Ca 0.00 0.01 -0.02 0.00 0.18 0.00 0.00 52.55 52.72 1ocd s ASP 2 Cb 0.00 0.51 -0.01 0.00 1.07 0.00 0.00 42.92 44.50 1ocd s ASP 2 CO 0.00 -0.82 -0.04 0.52 1.18 0.00 0.00 175.17 176.00 1ocd n VAL 3 N -0.30 0.27 0.25 -1.27 0.31 -1.26 -0.14 118.33 116.19 1ocd n VAL 3 Ca -0.14 0.29 0.08 0.00 -0.01 0.00 0.00 64.34 64.57 1ocd n VAL 3 Cb 0.64 -1.45 0.64 0.00 -0.91 0.00 0.00 33.84 32.75 1ocd n VAL 3 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1ocd h GLU 4 N -0.12 0.00 0.19 5.55 5.08 -1.96 0.34 114.58 123.65 1ocd h GLU 4 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ocd h GLU 4 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ocd h GLU 4 CO 0.00 0.08 -0.09 -0.22 -1.00 0.00 0.00 179.01 177.78 1ocd h LYS 5 N 0.00 -0.25 0.00 2.33 1.63 -1.92 -2.36 116.57 116.01 1ocd h LYS 5 Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ocd h LYS 5 Cb 0.15 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1ocd h LYS 5 CO 0.01 -0.16 0.00 0.41 -3.45 0.00 0.00 179.45 176.26 1ocd n GLY 6 N -0.48 -0.78 0.16 5.01 0.00 -1.17 -1.13 105.19 106.79 1ocd n GLY 6 Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1ocd n GLY 6 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ocd h LYS 7 N 0.00 0.19 0.02 1.61 3.64 0.01 -0.09 116.57 121.96 1ocd h LYS 7 Ca 0.00 -0.14 -0.30 0.00 -1.27 0.00 0.00 60.65 58.93 1ocd h LYS 7 Cb 0.14 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1ocd h LYS 7 CO 0.00 0.77 -1.75 1.17 -2.27 0.00 0.00 179.45 177.37 1ocd n LYS 8 N -3.83 0.65 0.12 1.90 4.81 -0.29 -2.53 118.16 119.00 1ocd n LYS 8 Ca -0.02 0.30 -0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1ocd n LYS 8 Cb 0.64 -1.79 0.28 0.00 0.02 0.00 0.00 35.03 34.18 1ocd n LYS 8 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1ocd h ILE 9 N 0.01 1.29 0.00 3.15 1.08 -1.22 -1.27 117.51 120.55 1ocd h ILE 9 Ca -0.30 -1.39 -0.01 0.00 -0.39 0.00 0.00 64.86 62.77 1ocd h ILE 9 Cb 2.02 1.64 -0.00 0.00 -3.07 0.00 0.00 36.82 37.41 1ocd h ILE 9 CO 0.08 0.41 -0.09 0.15 -0.69 0.00 0.00 178.15 178.01 1ocd h PHE 10 N 0.15 0.00 0.00 1.37 3.57 -1.11 -2.80 116.94 118.11 1ocd h PHE 10 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ocd h PHE 10 Cb 0.73 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1ocd h PHE 10 CO 0.01 0.52 0.00 0.28 -2.23 0.00 0.00 178.31 176.88 1ocd n VAL 11 N -4.68 0.65 -0.12 1.41 0.31 -1.05 -1.23 118.33 113.63 1ocd n VAL 11 Ca -0.06 0.16 -0.15 0.00 -0.01 0.00 0.00 64.34 64.28 1ocd n VAL 11 Cb 0.26 -0.94 -0.13 0.00 -0.91 0.00 0.00 33.84 32.11 1ocd n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ocd n GLN 12 N -1.29 0.67 -0.06 5.55 10.64 -0.48 -4.40 117.38 128.01 1ocd n GLN 12 Ca 0.06 0.10 -0.11 0.00 -1.83 0.00 0.00 57.00 55.22 1ocd n GLN 12 Cb 0.11 -1.52 -0.04 0.00 -0.86 0.00 0.00 30.24 27.93 1ocd n GLN 12 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1ocd n LYS 13 N -3.09 0.34 -1.45 2.61 4.76 -1.06 -4.70 118.16 115.58 1ocd n LYS 13 Ca -0.41 0.14 -0.34 0.00 -2.87 0.00 0.00 58.31 54.82 1ocd n LYS 13 Cb 1.04 -1.09 0.07 0.00 -1.84 0.00 0.00 35.03 33.22 1ocd n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ocd n ALA 15 N -0.86 1.19 1.51 0.00 0.00 -0.49 -1.44 120.51 120.42 1ocd n ALA 15 Ca 0.60 -0.67 0.14 0.00 0.00 0.00 0.00 53.44 53.51 1ocd n ALA 15 Cb 0.65 -0.77 0.63 0.00 0.00 0.00 0.00 19.45 19.95 1ocd n ALA 15 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ocd n GLN 16 N -3.26 0.96 0.00 0.00 7.27 -1.26 -3.91 117.38 117.18 1ocd n GLN 16 Ca -0.24 -0.38 0.00 0.00 0.07 0.00 0.00 57.00 56.45 1ocd n GLN 16 Cb 1.05 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 32.21 1ocd n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ocd s HIS 18 N -0.40 0.41 -0.13 0.00 3.76 -0.52 -0.12 115.29 118.29 1ocd s HIS 18 Ca 0.00 -0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 54.17 1ocd s HIS 18 Cb 0.00 -0.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.79 1ocd s HIS 18 CO 0.00 -0.64 0.23 0.95 -0.85 0.00 0.00 174.74 174.43 1ocd s THR 19 N 2.07 5.34 0.14 1.30 -4.23 -1.25 -4.26 115.64 114.74 1ocd s THR 19 Ca 0.04 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1ocd s THR 19 Cb -0.16 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1ocd s THR 19 CO -0.19 0.50 0.00 0.55 -0.54 0.00 0.00 174.62 174.94 1ocd n VAL 20 N 2.80 0.12 0.98 2.29 3.14 -1.26 -2.61 118.33 123.79 1ocd n VAL 20 Ca -0.16 0.04 0.12 0.00 -2.96 0.00 0.00 64.34 61.38 1ocd n VAL 20 Cb 0.53 -0.70 0.22 0.00 -1.06 0.00 0.00 33.84 32.83 1ocd n VAL 20 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ocd n GLU 21 N -3.07 0.01 0.05 1.45 1.02 -1.26 -3.99 120.64 114.85 1ocd n GLU 21 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.95 1ocd n GLU 21 Cb 0.05 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 29.81 1ocd n GLU 21 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1ocd h LYS 22 N 0.00 0.30 0.00 3.49 1.57 -1.95 -3.48 116.57 116.50 1ocd h LYS 22 Ca 0.00 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1ocd h LYS 22 Cb 0.51 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1ocd h LYS 22 CO 0.00 1.17 0.00 0.41 -0.57 0.00 0.00 179.45 180.46 1ocd n GLY 23 N 1.79 -0.38 0.15 3.86 0.00 -1.26 -5.00 105.19 104.36 1ocd n GLY 23 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1ocd n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocd n GLY 24 N 0.00 1.48 3.97 -0.02 0.00 -1.23 -4.86 105.19 104.53 1ocd n GLY 24 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1ocd n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ocd s LYS 25 N -0.77 1.85 -1.29 1.61 1.02 -1.26 -4.50 119.74 116.40 1ocd s LYS 25 Ca 0.00 -0.84 -0.06 0.00 0.02 0.00 0.00 55.97 55.09 1ocd s LYS 25 Cb 0.00 -2.29 0.05 0.00 -0.52 0.00 0.00 37.83 35.07 1ocd s LYS 25 CO 0.00 -1.35 2.60 0.72 -0.92 0.00 0.00 175.35 176.40 1ocd n HIS 26 N -2.83 2.39 0.00 3.18 8.25 -1.26 -3.06 115.22 121.89 1ocd n HIS 26 Ca 0.12 -2.78 0.00 0.00 -0.26 0.00 0.00 57.72 54.80 1ocd n HIS 26 Cb 0.60 -1.96 0.00 0.00 1.12 0.00 0.00 29.99 29.76 1ocd n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ocd n LYS 27 N 2.14 2.86 0.25 -0.41 4.81 -1.26 -4.43 118.16 122.12 1ocd n LYS 27 Ca 0.65 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 58.26 1ocd n LYS 27 Cb 0.29 0.00 0.80 0.00 0.02 0.00 0.00 35.03 36.14 1ocd n LYS 27 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1ocd h THR 28 N 0.00 0.15 -4.36 3.15 2.02 -1.90 -3.42 112.91 108.56 1ocd h THR 28 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 1ocd h THR 28 Cb 0.00 0.67 -0.13 0.00 -1.74 0.00 0.00 68.15 66.95 1ocd h THR 28 CO 0.00 0.00 -0.47 -0.83 0.37 0.00 0.00 175.52 174.59 1ocd s GLY 29 N -3.82 1.27 0.23 2.16 0.00 -1.17 -4.80 107.32 101.19 1ocd s GLY 29 Ca -0.04 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 42.87 1ocd s GLY 29 CO 0.38 -1.20 1.21 2.56 0.00 0.00 0.00 173.10 176.05 1ocd s PRO 30 N -4.05 4.49 0.31 2.90 0.04 0.83 -4.33 135.00 135.20 1ocd s PRO 30 Ca 0.35 1.93 -0.05 0.00 0.04 0.00 0.00 61.00 63.27 1ocd s PRO 30 Cb 0.05 -3.20 0.08 0.00 0.04 0.00 0.00 34.50 31.46 1ocd s PRO 30 CO 0.12 -0.06 0.30 0.27 0.04 0.00 0.00 177.00 177.67 1ocd n ASN 31 N 2.00 -1.09 -2.20 6.66 6.94 -1.17 -3.80 115.26 122.59 1ocd n ASN 31 Ca 0.03 -0.74 -0.27 0.00 -0.02 0.00 0.00 54.58 53.57 1ocd n ASN 31 Cb 0.44 -0.26 0.03 0.00 -2.36 0.00 0.00 39.78 37.63 1ocd n ASN 31 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ocd n LEU 32 N 0.00 5.58 0.00 -4.53 7.99 -1.07 -4.70 117.00 120.27 1ocd n LEU 32 Ca 0.04 -4.74 0.09 0.00 -0.01 0.00 0.00 56.01 51.38 1ocd n LEU 32 Cb 0.15 -0.52 0.52 0.00 -0.11 0.00 0.00 43.42 43.46 1ocd n LEU 32 CO 0.11 1.99 0.79 1.57 -1.51 0.00 0.00 177.39 180.34 1ocd n HIS 33 N -0.70 0.00 0.22 -1.77 -0.00 -1.26 -2.56 115.22 109.14 1ocd n HIS 33 Ca 0.47 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 58.23 1ocd n HIS 33 Cb 0.82 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.76 1ocd n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ocd n GLY 34 N 0.63 0.09 3.03 1.57 0.00 -1.26 -4.93 105.19 104.32 1ocd n GLY 34 Ca 0.13 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1ocd n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ocd n LEU 35 N -1.38 -1.86 0.00 0.99 4.77 -1.06 -3.57 117.00 114.89 1ocd n LEU 35 Ca 0.00 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1ocd n LEU 35 Cb 0.14 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1ocd n LEU 35 CO 0.15 -2.96 0.00 0.49 -1.33 0.00 0.00 177.39 173.74 1ocd n PHE 36 N -4.12 0.00 -1.83 -1.77 3.72 -0.91 -4.48 117.46 108.07 1ocd n PHE 36 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1ocd n PHE 36 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1ocd n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ocd n GLY 37 N 0.00 0.31 3.95 1.37 0.00 -1.23 -4.98 105.19 104.60 1ocd n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ocd n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ocd n ARG 38 N 0.00 0.00 -3.51 1.61 0.63 -1.26 -4.93 116.66 109.20 1ocd n ARG 38 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 1ocd n ARG 38 Cb 0.51 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.35 1ocd n ARG 38 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ocd s LYS 39 N 0.00 4.15 -0.14 -0.14 1.02 -1.26 -4.38 119.74 118.99 1ocd s LYS 39 Ca 0.00 0.21 -0.14 0.00 0.02 0.00 0.00 55.97 56.05 1ocd s LYS 39 Cb 0.00 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 1ocd s LYS 39 CO 0.00 0.34 -0.28 0.25 -0.92 0.00 0.00 175.35 174.75 1ocd n THR 40 N 3.15 1.20 -1.85 2.17 -2.24 -1.26 -4.46 114.28 110.99 1ocd n THR 40 Ca -0.12 0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.66 1ocd n THR 40 Cb 0.52 -2.18 -0.07 0.00 -2.10 0.00 0.00 70.33 66.50 1ocd n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ocd s GLY 41 N -4.53 -0.36 0.00 3.38 0.00 -1.09 -4.63 107.32 100.10 1ocd s GLY 41 Ca -0.23 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1ocd s GLY 41 CO 0.34 3.86 0.00 0.61 0.00 0.00 0.00 173.10 177.91 1ocd n GLN 42 N 8.49 0.00 -3.48 2.90 0.00 -1.26 -4.47 117.38 119.55 1ocd n GLN 42 Ca 0.43 0.00 -0.43 0.00 0.00 0.00 0.00 57.00 57.01 1ocd n GLN 42 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.65 1ocd n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ocd s ALA 43 N -2.22 3.95 0.44 2.61 0.00 -1.26 -4.90 121.76 120.37 1ocd s ALA 43 Ca 0.00 -3.36 0.14 0.00 0.00 0.00 0.00 51.96 48.74 1ocd s ALA 43 Cb 0.00 -3.19 0.77 0.00 0.00 0.00 0.00 23.12 20.70 1ocd s ALA 43 CO 0.00 -2.21 1.37 -1.35 0.00 0.00 0.00 175.76 173.57 1ocd h PRO 44 N 7.36 0.00 -0.02 0.00 0.10 -1.78 -1.32 132.00 136.34 1ocd h PRO 44 Ca 0.07 0.00 0.01 0.00 0.10 0.00 0.00 66.00 66.18 1ocd h PRO 44 Cb 0.99 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.09 1ocd h PRO 44 CO 0.75 0.00 0.44 0.78 0.10 0.00 0.00 178.00 180.07 1ocd h GLY 45 N 0.00 0.00 0.00 -0.55 0.00 -1.93 -3.33 103.07 97.27 1ocd h GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ocd h GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.54 176.87 1ocd n PHE 46 N -2.86 0.00 -1.94 5.60 7.35 -0.50 -4.95 117.46 120.17 1ocd n PHE 46 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1ocd n PHE 46 Cb 0.48 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.31 1ocd n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1ocd n THR 47 N 0.00 0.00 -1.02 -2.13 5.66 -1.25 -5.12 114.28 110.42 1ocd n THR 47 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1ocd n THR 47 Cb 0.00 0.27 0.06 0.00 -1.55 0.00 0.00 70.33 69.11 1ocd n THR 47 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1ocd n TYR 48 N 0.00 -3.52 0.00 1.09 4.02 -1.26 -4.93 117.16 112.55 1ocd n TYR 48 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1ocd n TYR 48 Cb 0.58 -1.60 0.00 0.00 -0.02 0.00 0.00 39.34 38.30 1ocd n TYR 48 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1ocd n THR 49 N -2.61 0.00 -1.70 -0.72 5.66 -1.26 -4.65 114.28 109.00 1ocd n THR 49 Ca 0.03 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.70 1ocd n THR 49 Cb 0.54 -0.99 -0.04 0.00 -1.55 0.00 0.00 70.33 68.29 1ocd n THR 49 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ocd n ASP 50 N 0.00 7.19 0.11 1.09 9.92 -1.26 -3.62 116.55 129.98 1ocd n ASP 50 Ca 0.00 -3.15 0.00 0.00 -0.53 0.00 0.00 54.79 51.11 1ocd n ASP 50 Cb 0.00 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.18 1ocd n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ocd n ALA 51 N 1.34 0.00 0.10 2.24 0.00 -1.26 -4.91 120.51 118.02 1ocd n ALA 51 Ca 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.96 1ocd n ALA 51 Cb 0.42 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.02 1ocd n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1ocd h ASN 52 N 0.00 0.22 -0.47 0.00 -0.00 -1.92 1.12 115.58 114.52 1ocd h ASN 52 Ca 0.00 -0.12 0.04 0.00 -0.00 0.00 0.00 56.30 56.23 1ocd h ASN 52 Cb 0.00 -0.06 -0.06 0.00 -0.00 0.00 0.00 38.32 38.20 1ocd h ASN 52 CO 0.00 0.74 -0.31 0.50 -0.00 0.00 0.00 177.43 178.36 1ocd h LYS 53 N 0.15 -0.03 -0.81 6.67 3.64 -1.82 -2.84 116.57 121.53 1ocd h LYS 53 Ca -0.00 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.92 1ocd h LYS 53 Cb 1.04 0.01 -0.42 0.00 -0.41 0.00 0.00 32.23 32.45 1ocd h LYS 53 CO 0.08 -0.02 -0.92 -1.71 -2.27 0.00 0.00 179.45 174.62 1ocd n ASN 54 N -4.17 3.73 -2.71 4.20 2.85 -1.21 -4.20 115.26 113.75 1ocd n ASN 54 Ca 0.01 -3.21 0.00 0.00 -0.11 0.00 0.00 54.58 51.27 1ocd n ASN 54 Cb 0.14 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 40.75 1ocd n ASN 54 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1ocd n LYS 55 N -0.59 2.27 -0.15 1.20 0.00 0.39 -4.92 118.16 116.36 1ocd n LYS 55 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.62 1ocd n LYS 55 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.89 1ocd n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ocd n GLY 56 N 0.00 0.66 0.00 3.14 0.00 -1.26 -4.76 105.19 102.96 1ocd n GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ocd n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ocd n ILE 57 N 0.00 0.00 -3.34 -0.61 -5.35 -1.26 -4.94 119.36 103.86 1ocd n ILE 57 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1ocd n ILE 57 Cb 0.33 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 1ocd n ILE 57 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1ocd n THR 58 N 0.00 0.00 -2.68 7.28 -1.04 -1.26 -4.04 114.28 112.54 1ocd n THR 58 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1ocd n THR 58 Cb 0.00 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.56 1ocd n THR 58 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1ocd n TRP 59 N 0.00 0.11 0.00 -1.42 5.03 -1.26 -4.69 117.44 115.21 1ocd n TRP 59 Ca 0.00 -2.57 0.00 0.00 3.03 0.00 0.00 57.50 57.96 1ocd n TRP 59 Cb 0.00 0.17 0.00 0.00 -1.03 0.00 0.00 31.31 30.45 1ocd n TRP 59 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1ocd n LYS 60 N -0.19 0.72 0.00 -0.99 3.00 -1.26 -2.14 118.16 117.30 1ocd n LYS 60 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1ocd n LYS 60 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.85 1ocd n LYS 60 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ocd n GLU 61 N 0.00 0.00 -0.21 1.64 0.28 -1.26 -1.42 120.64 119.67 1ocd n GLU 61 Ca 0.00 0.00 0.19 0.00 -0.16 0.00 0.00 57.16 57.19 1ocd n GLU 61 Cb 0.00 -0.20 0.36 0.00 1.43 0.00 0.00 31.44 33.02 1ocd n GLU 61 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ocd n GLU 62 N -0.22 -0.04 -0.02 3.44 2.13 -1.26 0.29 120.64 124.96 1ocd n GLU 62 Ca 0.00 0.90 -0.13 0.00 0.66 0.00 0.00 57.16 58.58 1ocd n GLU 62 Cb 0.00 -1.58 -0.10 0.00 0.27 0.00 0.00 31.44 30.02 1ocd n GLU 62 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1ocd h THR 63 N 0.00 1.43 0.00 6.31 1.35 -1.88 -2.46 112.91 117.66 1ocd h THR 63 Ca 0.53 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1ocd h THR 63 Cb 1.36 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 1ocd h THR 63 CO -0.51 0.33 -0.04 -0.07 -0.25 0.00 0.00 175.52 174.99 1ocd h LEU 64 N -0.55 0.00 -0.75 3.87 3.38 0.50 -2.59 115.31 119.16 1ocd h LEU 64 Ca -0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 1ocd h LEU 64 Cb 0.55 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1ocd h LEU 64 CO 0.00 0.22 0.49 0.80 0.09 0.00 0.00 178.44 180.04 1ocd n MET 65 N -3.15 -0.02 0.02 1.13 1.56 0.83 0.15 117.12 117.64 1ocd n MET 65 Ca -0.01 0.64 -0.02 0.00 -0.27 0.00 0.00 57.70 58.05 1ocd n MET 65 Cb 0.02 -1.28 -0.01 0.00 2.15 0.00 0.00 33.22 34.10 1ocd n MET 65 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1ocd h GLU 66 N 0.00 -0.12 -0.23 2.12 4.39 -1.45 -3.28 114.58 116.01 1ocd h GLU 66 Ca 0.46 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.19 1ocd h GLU 66 Cb 1.52 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.17 1ocd h GLU 66 CO -0.22 -0.08 -0.14 -0.92 -1.16 0.00 0.00 179.01 176.49 1ocd h TYR 67 N -0.61 -0.46 -0.61 4.33 5.03 0.18 -1.11 116.97 123.73 1ocd h TYR 67 Ca -0.01 0.03 0.10 0.00 2.58 0.00 0.00 58.73 61.42 1ocd h TYR 67 Cb 0.09 0.23 -0.10 0.00 1.55 0.00 0.00 36.73 38.50 1ocd h TYR 67 CO 0.01 -0.09 -0.23 -0.11 -1.32 0.00 0.00 178.16 176.42 1ocd n LEU 68 N -3.52 -0.38 -0.24 2.82 0.00 0.07 0.63 117.00 116.38 1ocd n LEU 68 Ca 0.00 1.05 -0.13 0.00 0.00 0.00 0.00 56.01 56.94 1ocd n LEU 68 Cb 0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 43.42 43.14 1ocd n LEU 68 CO -0.03 -0.95 0.50 -0.33 0.00 0.00 0.00 177.39 176.57 1ocd h GLU 69 N 0.00 -0.25 -2.69 1.96 5.08 -1.26 -3.39 114.58 114.03 1ocd h GLU 69 Ca 0.22 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1ocd h GLU 69 Cb 0.37 0.06 -0.29 0.00 0.50 0.00 0.00 28.75 29.39 1ocd h GLU 69 CO -0.60 -0.16 -0.40 -0.80 -1.00 0.00 0.00 179.01 176.05 1ocd s ASN 70 N -5.21 -0.20 0.00 1.42 0.01 0.21 -4.43 114.94 106.73 1ocd s ASN 70 Ca -0.14 0.82 0.00 0.00 -0.71 0.00 0.00 52.86 52.83 1ocd s ASN 70 Cb 0.10 0.91 0.00 0.00 0.41 0.00 0.00 41.25 42.67 1ocd s ASN 70 CO 0.62 -0.21 0.58 -2.65 -1.51 0.00 0.00 177.10 173.93 1ocd n PRO 71 N 4.89 0.00 -0.55 -0.60 -0.02 -1.14 -1.74 135.00 135.83 1ocd n PRO 71 Ca -0.15 0.29 0.45 0.00 -2.02 0.00 0.00 63.50 62.08 1ocd n PRO 71 Cb 0.52 -1.08 0.69 0.00 -0.02 0.00 0.00 33.50 33.61 1ocd n PRO 71 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ocd n LYS 72 N -0.99 0.00 0.01 -0.52 5.02 -1.26 -0.60 118.16 119.82 1ocd n LYS 72 Ca 0.00 1.06 -0.10 0.00 -2.02 0.00 0.00 58.31 57.25 1ocd n LYS 72 Cb 0.00 -2.50 -0.04 0.00 -0.02 0.00 0.00 35.03 32.47 1ocd n LYS 72 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1ocd h LYS 73 N 0.00 -0.34 -0.38 1.97 3.64 -1.68 2.20 116.57 121.99 1ocd h LYS 73 Ca 0.80 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 60.16 1ocd h LYS 73 Cb 3.50 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 35.38 1ocd h LYS 73 CO -0.01 -0.22 0.07 0.10 -2.27 0.00 0.00 179.45 177.11 1ocd h TYR 74 N -0.35 0.58 -0.93 1.91 -0.00 -0.89 -3.39 116.97 113.89 1ocd h TYR 74 Ca 0.09 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.73 58.76 1ocd h TYR 74 Cb 0.49 -0.17 -0.19 0.00 -0.00 0.00 0.00 36.73 36.85 1ocd h TYR 74 CO -0.35 0.52 -0.40 0.42 -0.00 0.00 0.00 178.16 178.35 1ocd s ILE 75 N -5.10 -0.93 -0.92 -0.90 -1.09 0.08 -4.99 121.20 107.36 1ocd s ILE 75 Ca -0.08 0.00 0.05 0.00 -2.23 0.00 0.00 60.65 58.39 1ocd s ILE 75 Cb 0.16 -0.25 0.05 0.00 -1.58 0.00 0.00 42.46 40.84 1ocd s ILE 75 CO 0.76 0.00 1.16 -2.65 -1.23 0.00 0.00 174.94 172.98 1ocd n PRO 76 N 4.63 0.02 -0.03 2.79 -0.02 0.72 -0.75 135.00 142.37 1ocd n PRO 76 Ca 0.09 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 1ocd n PRO 76 Cb 0.57 -1.55 0.25 0.00 -0.02 0.00 0.00 33.50 32.75 1ocd n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ocd n GLY 77 N -1.18 -0.65 3.76 -1.23 0.00 -1.26 -4.84 105.19 99.79 1ocd n GLY 77 Ca 0.01 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1ocd n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ocd s THR 78 N -1.92 1.80 -0.15 2.61 -1.32 0.07 -4.33 115.64 112.41 1ocd s THR 78 Ca 0.16 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.78 1ocd s THR 78 Cb 0.08 -2.74 0.37 0.00 -1.51 0.00 0.00 72.50 68.70 1ocd s THR 78 CO 0.12 0.00 1.18 1.17 -2.21 0.00 0.00 174.62 174.89 1ocd n LYS 79 N -4.25 1.24 -4.13 7.08 4.81 -1.26 -4.94 118.16 116.71 1ocd n LYS 79 Ca 0.14 -2.84 -0.15 0.00 -0.87 0.00 0.00 58.31 54.58 1ocd n LYS 79 Cb 0.59 -1.34 -0.11 0.00 0.02 0.00 0.00 35.03 34.19 1ocd n LYS 79 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ocd s MET 80 N -2.59 0.71 -0.06 1.64 0.23 -1.26 -5.09 119.30 112.88 1ocd s MET 80 Ca 0.34 -0.95 -0.09 0.00 -1.03 0.00 0.00 55.69 53.96 1ocd s MET 80 Cb 0.33 -0.52 0.02 0.00 -1.53 0.00 0.00 34.83 33.13 1ocd s MET 80 CO -0.05 0.10 0.23 0.42 -2.03 0.00 0.00 175.02 173.68 1ocd s ILE 81 N -1.72 0.02 0.00 3.16 1.01 -1.26 -4.34 121.20 118.07 1ocd s ILE 81 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1ocd s ILE 81 Cb -0.07 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1ocd s ILE 81 CO 0.01 -0.11 0.00 0.33 0.00 0.00 0.00 174.94 175.17 1ocd n PHE 82 N 2.44 0.00 -3.24 3.97 -0.00 -1.26 -5.08 117.46 114.30 1ocd n PHE 82 Ca -0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 56.90 1ocd n PHE 82 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.03 1ocd n PHE 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ocd n ALA 83 N 0.00 4.61 -0.10 3.13 0.00 -1.26 -4.61 120.51 122.28 1ocd n ALA 83 Ca 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1ocd n ALA 83 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1ocd n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ocd n GLY 84 N 1.59 -0.23 2.30 0.00 0.00 -1.26 -4.70 105.19 102.88 1ocd n GLY 84 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 1ocd n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ocd n ILE 85 N -2.38 3.65 0.86 -0.61 5.41 -1.26 -4.39 119.36 120.63 1ocd n ILE 85 Ca 0.00 -2.63 0.13 0.00 1.00 0.00 0.00 62.75 61.24 1ocd n ILE 85 Cb 0.00 -1.95 0.35 0.00 -0.71 0.00 0.00 39.64 37.33 1ocd n ILE 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1ocd n LYS 86 N 1.94 0.10 0.00 0.38 4.81 -1.26 -4.41 118.16 119.71 1ocd n LYS 86 Ca 0.53 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1ocd n LYS 86 Cb 0.59 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1ocd n LYS 86 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ocd n LYS 87 N -1.73 0.00 0.00 1.64 5.02 -1.26 -4.60 118.16 117.23 1ocd n LYS 87 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1ocd n LYS 87 Cb 0.37 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 1ocd n LYS 87 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ocd n LYS 88 N 0.00 0.00 -0.16 1.97 4.81 -1.26 -4.92 118.16 118.60 1ocd n LYS 88 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1ocd n LYS 88 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1ocd n LYS 88 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1ocd h THR 89 N 0.00 0.00 -0.77 3.15 1.35 -1.97 0.57 112.91 115.24 1ocd h THR 89 Ca 0.00 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.02 1ocd h THR 89 Cb 0.00 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.32 1ocd h THR 89 CO 0.00 0.00 0.28 -0.33 -0.25 0.00 0.00 175.52 175.22 1ocd h GLU 90 N -0.08 0.38 -0.69 4.72 5.08 -1.95 -0.83 114.58 121.21 1ocd h GLU 90 Ca 0.07 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1ocd h GLU 90 Cb 0.25 -0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.30 1ocd h GLU 90 CO -0.42 0.25 -0.39 0.00 -1.00 0.00 0.00 179.01 177.45 1ocd h ARG 91 N 0.39 -0.14 -0.32 2.33 3.08 -0.14 0.20 114.38 119.78 1ocd h ARG 91 Ca 0.43 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.57 1ocd h ARG 91 Cb 0.71 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.71 1ocd h ARG 91 CO -0.45 -0.09 -0.22 1.49 -1.07 0.00 0.00 179.97 179.62 1ocd h GLU 92 N -0.15 -0.18 -0.83 0.04 4.81 -0.12 0.11 114.58 118.26 1ocd h GLU 92 Ca 0.24 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.69 1ocd h GLU 92 Cb 0.56 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.85 1ocd h GLU 92 CO -0.76 -0.12 0.17 -0.44 -0.73 0.00 0.00 179.01 177.13 1ocd h ASP 93 N -0.18 -0.08 0.01 1.04 3.32 -0.47 0.65 116.42 120.70 1ocd h ASP 93 Ca 0.17 0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.44 1ocd h ASP 93 Cb 0.44 0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.22 1ocd h ASP 93 CO -0.43 -0.14 -0.28 0.25 -1.72 0.00 0.00 179.24 176.91 1ocd h LEU 94 N 0.20 -0.84 0.00 1.55 6.46 0.36 -1.39 115.31 121.65 1ocd h LEU 94 Ca 0.50 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.37 1ocd h LEU 94 Cb 0.95 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1ocd h LEU 94 CO -0.64 -0.35 0.00 -0.38 -0.62 0.00 0.00 178.44 176.45 1ocd n ILE 95 N -5.39 0.00 -0.27 4.05 5.41 0.17 -1.84 119.36 121.49 1ocd n ILE 95 Ca -0.05 1.18 -0.07 0.00 1.00 0.00 0.00 62.75 64.81 1ocd n ILE 95 Cb 0.31 -2.10 -0.06 0.00 -0.71 0.00 0.00 39.64 37.07 1ocd n ILE 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ocd n ALA 96 N -1.13 -0.42 -0.23 -1.39 0.00 -0.88 -0.45 120.51 116.01 1ocd n ALA 96 Ca 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 53.44 53.93 1ocd n ALA 96 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 1ocd n ALA 96 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ocd n TYR 97 N -4.60 -0.24 -0.25 0.00 9.36 0.80 -0.13 117.16 122.10 1ocd n TYR 97 Ca 0.01 0.69 0.05 0.00 3.32 0.00 0.00 57.90 61.97 1ocd n TYR 97 Cb 0.17 -0.54 0.17 0.00 -0.63 0.00 0.00 39.34 38.51 1ocd n TYR 97 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1ocd h LEU 98 N 0.00 -0.11 -0.99 2.98 7.12 0.01 0.18 115.31 124.50 1ocd h LEU 98 Ca 0.09 0.16 0.17 0.00 0.13 0.00 0.00 57.88 58.43 1ocd h LEU 98 Cb 0.23 0.24 -0.17 0.00 -0.53 0.00 0.00 40.66 40.43 1ocd h LEU 98 CO -0.52 -0.09 -0.35 1.17 -0.13 0.00 0.00 178.44 178.52 1ocd n LYS 99 N -5.22 -0.19 0.00 1.25 4.81 0.81 -0.28 118.16 119.34 1ocd n LYS 99 Ca 0.14 1.54 0.11 0.00 -0.87 0.00 0.00 58.31 59.22 1ocd n LYS 99 Cb 0.46 -2.28 -0.00 0.00 0.02 0.00 0.00 35.03 33.23 1ocd n LYS 99 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ocd n LYS 100 N -5.51 0.18 0.11 1.64 5.02 -0.76 -3.95 118.16 114.90 1ocd n LYS 100 Ca 0.12 -0.14 -0.11 0.00 -2.02 0.00 0.00 58.31 56.15 1ocd n LYS 100 Cb 0.43 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.86 1ocd n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ocd h ALA 101 N 3.14 -0.33 0.00 7.82 0.00 0.24 -2.83 119.26 127.29 1ocd h ALA 101 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ocd h ALA 101 Cb 0.53 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ocd h ALA 101 CO 0.00 -0.42 0.00 2.41 0.00 0.00 0.00 179.25 181.24 1ocd n THR 102 N -5.03 0.00 1.15 0.00 -1.04 -0.67 -2.60 114.28 106.09 1ocd n THR 102 Ca -0.08 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.02 1ocd n THR 102 Cb 0.26 -0.06 0.33 0.00 -1.82 0.00 0.00 70.33 69.04 1ocd n THR 102 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1ocd n ASN 103 N -0.54 1.71 0.00 8.00 5.15 -1.07 -5.01 115.26 123.51 1ocd n ASN 103 Ca 0.02 -1.77 0.00 0.00 -0.60 0.00 0.00 54.58 52.23 1ocd n ASN 103 Cb 0.01 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 1ocd n ASN 103 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87