#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oig n PRO 22 N 0.00 1.48 -3.30 5.56 -0.02 -1.26 -4.99 135.00 132.47 2oig n PRO 22 Ca 0.00 0.41 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 2oig n PRO 22 Cb 0.00 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 30.68 2oig n PRO 22 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2oig s PHE 23 N 7.52 3.47 0.49 6.00 5.36 -1.26 -5.14 117.98 134.44 2oig s PHE 23 Ca 1.05 0.71 0.03 0.00 -0.96 0.00 0.00 56.93 57.76 2oig s PHE 23 Cb -0.65 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 39.86 2oig s PHE 23 CO 0.44 0.15 0.08 1.03 -1.46 0.00 0.00 175.22 175.46 2oig s ARG 24 N -3.50 2.17 -0.01 10.12 0.52 -1.26 -5.16 118.95 121.83 2oig s ARG 24 Ca 0.45 -2.26 0.06 0.00 -0.52 0.00 0.00 55.73 53.46 2oig s ARG 24 Cb -0.11 -1.67 -0.02 0.00 0.52 0.00 0.00 34.95 33.68 2oig s ARG 24 CO 0.29 -0.34 -0.18 -0.06 0.02 0.00 0.00 175.30 175.03 2oig s PHE 25 N -2.82 1.61 0.73 -0.53 2.99 -1.26 -5.12 117.98 113.58 2oig s PHE 25 Ca 0.17 -0.31 -0.16 0.00 0.00 0.00 0.00 56.93 56.63 2oig s PHE 25 Cb 0.02 -1.02 0.04 0.00 0.00 0.00 0.00 43.02 42.06 2oig s PHE 25 CO 0.09 -0.01 1.25 -1.12 -0.00 0.00 0.00 175.22 175.43 2oig s SER 26 N -0.53 4.10 0.00 1.36 0.01 -1.26 -4.84 113.70 112.54 2oig s SER 26 Ca 0.07 2.49 0.00 0.00 1.31 0.00 0.00 55.95 59.82 2oig s SER 26 Cb -0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2oig s SER 26 CO -0.00 -2.34 0.36 -2.65 0.41 0.00 0.00 173.24 169.02 2oig n PRO 27 N -2.61 0.52 0.00 12.44 -0.02 -1.26 -4.83 135.00 139.24 2oig n PRO 27 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2oig n PRO 27 Cb 0.49 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 2oig n PRO 27 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2oig n GLU 28 N -0.05 0.00 -0.80 -0.52 0.28 -1.26 -4.62 120.64 113.67 2oig n GLU 28 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 2oig n GLU 28 Cb 0.08 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.16 2oig n GLU 28 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2oig s PRO 29 N -2.00 -0.18 0.86 3.44 0.04 -1.26 -5.15 135.00 130.76 2oig s PRO 29 Ca 0.00 0.80 -0.09 0.00 0.04 0.00 0.00 61.00 61.76 2oig s PRO 29 Cb 0.00 -1.64 0.18 0.00 0.04 0.00 0.00 34.50 33.07 2oig s PRO 29 CO 0.00 -3.22 1.18 0.95 0.04 0.00 0.00 177.00 175.96 2oig s THR 30 N -2.67 2.03 0.27 1.26 -4.23 -1.26 -4.82 115.64 106.23 2oig s THR 30 Ca 0.67 -0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2oig s THR 30 Cb -0.22 -2.74 0.26 0.00 1.34 0.00 0.00 72.50 71.14 2oig s THR 30 CO 0.61 0.00 1.94 -0.07 -0.54 0.00 0.00 174.62 176.57 2oig h LEU 31 N -1.17 1.07 -0.13 4.79 3.38 -2.00 -1.93 115.31 119.32 2oig h LEU 31 Ca -0.40 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2oig h LEU 31 Cb 1.24 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2oig h LEU 31 CO 0.36 0.77 -0.01 -0.08 0.09 0.00 0.00 178.44 179.58 2oig h GLU 32 N 1.27 0.23 -0.00 1.13 4.57 -2.00 -2.67 114.58 117.11 2oig h GLU 32 Ca 0.35 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 2oig h GLU 32 Cb -0.14 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.38 2oig h GLU 32 CO -0.08 0.50 -0.50 -0.44 -1.18 0.00 0.00 179.01 177.31 2oig h ASP 33 N -0.05 -1.54 -0.89 1.04 3.32 -1.82 0.40 116.42 116.88 2oig h ASP 33 Ca 0.03 0.17 0.23 0.00 0.02 0.00 0.00 57.03 57.49 2oig h ASP 33 Cb 0.40 0.58 -0.16 0.00 0.22 0.00 0.00 39.33 40.37 2oig h ASP 33 CO 0.01 -0.48 0.05 0.40 -1.72 0.00 0.00 179.24 177.49 2oig h ILE 34 N -0.62 0.18 -0.39 0.35 2.04 -1.37 0.89 117.51 118.58 2oig h ILE 34 Ca 0.01 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.92 2oig h ILE 34 Cb 0.67 0.10 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 2oig h ILE 34 CO -0.33 0.01 -0.38 -0.09 0.00 0.00 0.00 178.15 177.36 2oig h ARG 35 N 0.08 -0.29 0.64 2.37 2.43 -0.57 -1.72 114.38 117.31 2oig h ARG 35 Ca 0.52 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.68 2oig h ARG 35 Cb 1.02 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2oig h ARG 35 CO -0.79 -0.19 -0.31 -0.09 -1.51 0.00 0.00 179.97 177.07 2oig h ARG 36 N -0.30 -0.83 -0.51 0.20 2.43 -0.18 -2.30 114.38 112.89 2oig h ARG 36 Ca 0.15 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 2oig h ARG 36 Cb 0.57 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 30.21 2oig h ARG 36 CO -0.55 -0.55 -0.46 -0.07 -1.51 0.00 0.00 179.97 176.83 2oig h LEU 37 N -0.89 -1.58 -0.76 3.80 3.38 -1.24 0.42 115.31 118.43 2oig h LEU 37 Ca -0.09 0.24 0.15 0.00 0.09 0.00 0.00 57.88 58.28 2oig h LEU 37 Cb 0.67 0.69 -0.10 0.00 0.09 0.00 0.00 40.66 42.01 2oig h LEU 37 CO 0.15 -0.36 0.29 -0.74 0.09 0.00 0.00 178.44 177.86 2oig h HIS 38 N -0.28 0.48 0.16 1.13 2.76 -1.29 0.21 115.15 118.31 2oig h HIS 38 Ca 0.15 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2oig h HIS 38 Cb 0.57 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 2oig h HIS 38 CO -0.70 0.02 -0.51 0.00 -1.30 0.00 0.00 177.93 175.44 2oig h ALA 39 N 1.58 -1.01 -0.76 5.26 0.00 0.31 0.94 119.26 125.57 2oig h ALA 39 Ca 0.43 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.40 2oig h ALA 39 Cb 0.69 0.87 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 2oig h ALA 39 CO -0.44 -1.12 0.11 0.93 0.00 0.00 0.00 179.25 178.73 2oig h GLU 40 N -0.76 0.18 0.45 0.00 4.39 0.72 2.20 114.58 121.76 2oig h GLU 40 Ca -0.01 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2oig h GLU 40 Cb 0.75 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2oig h GLU 40 CO -0.25 0.12 -0.28 0.35 -1.16 0.00 0.00 179.01 177.78 2oig h PHE 41 N 0.18 -0.75 0.00 4.33 3.57 0.10 -1.54 116.94 122.83 2oig h PHE 41 Ca 0.43 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2oig h PHE 41 Cb 0.78 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2oig h PHE 41 CO -0.33 -0.44 0.00 0.00 -2.23 0.00 0.00 178.31 175.31 2oig n ALA 42 N -2.49 2.07 0.91 2.41 0.00 0.31 -1.68 120.51 122.04 2oig n ALA 42 Ca -0.11 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.35 2oig n ALA 42 Cb 0.32 -1.36 0.13 0.00 0.00 0.00 0.00 19.45 18.53 2oig n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oig n ALA 43 N -1.40 3.76 -0.03 0.00 0.00 0.72 -1.36 120.51 122.19 2oig n ALA 43 Ca 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.10 2oig n ALA 43 Cb 0.22 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 2oig n ALA 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2oig h GLU 44 N 0.00 0.00 -1.84 0.00 4.57 -0.37 -3.37 114.58 113.57 2oig h GLU 44 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 2oig h GLU 44 Cb 0.55 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 2oig h GLU 44 CO 0.00 0.00 0.13 0.54 -1.18 0.00 0.00 179.01 178.50 2oig n ARG 45 N -3.77 1.35 -2.62 1.92 1.74 -1.17 -4.86 116.66 109.24 2oig n ARG 45 Ca -0.01 -0.62 -0.18 0.00 -0.77 0.00 0.00 57.85 56.27 2oig n ARG 45 Cb 0.04 -1.28 0.01 0.00 -1.02 0.00 0.00 32.46 30.21 2oig n ARG 45 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2oig n ASP 46 N 1.15 -2.67 0.00 0.55 5.68 -1.25 -4.88 116.55 115.13 2oig n ASP 46 Ca 0.13 -0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 2oig n ASP 46 Cb 0.55 -0.82 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 2oig n ASP 46 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2oig n TRP 47 N -0.65 0.00 -0.07 2.11 8.01 -0.46 -4.72 117.44 121.66 2oig n TRP 47 Ca -0.09 -0.05 -0.04 0.00 -1.31 0.00 0.00 57.50 56.01 2oig n TRP 47 Cb 0.36 -0.00 0.17 0.00 -2.01 0.00 0.00 31.31 29.82 2oig n TRP 47 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 2oig h GLU 48 N 0.00 0.69 0.00 -0.99 4.81 -1.89 -1.23 114.58 115.97 2oig h GLU 48 Ca 0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2oig h GLU 48 Cb 0.12 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2oig h GLU 48 CO 0.00 0.77 -0.03 -0.56 -0.73 0.00 0.00 179.01 178.46 2oig h GLN 49 N 0.64 0.00 0.00 1.92 3.07 -1.93 0.11 115.11 118.92 2oig h GLN 49 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.85 2oig h GLN 49 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 2oig h GLN 49 CO 0.03 0.03 0.00 0.74 0.09 0.00 0.00 178.83 179.72 2oig h PHE 50 N 0.00 0.00 -2.48 0.06 -1.00 -1.54 -3.39 116.94 108.59 2oig h PHE 50 Ca -0.00 0.00 -0.80 0.00 2.81 0.00 0.00 57.97 59.98 2oig h PHE 50 Cb 0.05 0.00 -0.25 0.00 3.61 0.00 0.00 35.95 39.36 2oig h PHE 50 CO 0.00 0.00 1.12 0.72 -1.61 0.00 0.00 178.31 178.54 2oig n HIS 51 N -2.40 2.42 -4.31 -0.55 8.25 0.02 -4.65 115.22 114.00 2oig n HIS 51 Ca 0.04 -2.61 -0.34 0.00 -0.26 0.00 0.00 57.72 54.55 2oig n HIS 51 Cb 0.35 -1.40 -0.12 0.00 1.12 0.00 0.00 29.99 29.94 2oig n HIS 51 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2oig s GLN 52 N -2.29 3.73 0.00 -0.41 -1.52 -1.26 -4.96 119.66 112.96 2oig s GLN 52 Ca 0.34 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.27 2oig s GLN 52 Cb 0.08 -2.98 0.00 0.00 -0.22 0.00 0.00 33.01 29.89 2oig s GLN 52 CO 0.06 0.24 0.00 -2.30 -0.25 0.00 0.00 175.29 173.04 2oig n PRO 53 N 3.55 0.00 0.31 2.91 -0.02 -1.26 0.23 135.00 140.72 2oig n PRO 53 Ca -0.17 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.50 2oig n PRO 53 Cb 0.52 0.00 1.05 0.00 -0.02 0.00 0.00 33.50 35.06 2oig n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oig h ARG 54 N 0.00 0.00 0.12 -0.52 3.08 -1.99 -1.14 114.38 113.93 2oig h ARG 54 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2oig h ARG 54 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2oig h ARG 54 CO 0.00 0.00 -0.06 -0.91 -1.07 0.00 0.00 179.97 177.93 2oig h ASN 55 N 0.00 -0.14 0.48 7.04 4.21 0.25 -2.42 115.58 125.00 2oig h ASN 55 Ca 0.00 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 57.09 2oig h ASN 55 Cb 0.03 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2oig h ASN 55 CO -0.00 0.45 0.00 0.18 -1.29 0.00 0.00 177.43 176.77 2oig n LEU 56 N -4.88 0.27 -0.08 1.61 4.77 -0.96 0.78 117.00 118.51 2oig n LEU 56 Ca -0.08 0.58 -0.16 0.00 -0.03 0.00 0.00 56.01 56.32 2oig n LEU 56 Cb 0.27 -0.55 -0.12 0.00 -2.33 0.00 0.00 43.42 40.69 2oig n LEU 56 CO 0.26 -0.44 0.06 0.25 -1.33 0.00 0.00 177.39 176.18 2oig h LEU 57 N 0.00 0.00 -0.91 2.23 5.85 -1.18 -2.48 115.31 118.82 2oig h LEU 57 Ca 0.00 -0.79 -0.11 0.00 0.84 0.00 0.00 57.88 57.82 2oig h LEU 57 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2oig h LEU 57 CO 0.00 1.15 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.77 2oig h LEU 58 N -1.00 0.29 -1.09 2.25 3.38 -1.17 2.15 115.31 120.13 2oig h LEU 58 Ca -0.12 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2oig h LEU 58 Cb 1.07 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2oig h LEU 58 CO -0.07 0.68 0.23 0.00 0.09 0.00 0.00 178.44 179.36 2oig h ALA 59 N 1.34 1.28 0.15 1.53 0.00 0.27 -0.80 119.26 123.03 2oig h ALA 59 Ca 0.02 -0.16 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 2oig h ALA 59 Cb 0.83 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2oig h ALA 59 CO 0.07 0.53 -1.74 1.25 0.00 0.00 0.00 179.25 179.36 2oig h LEU 60 N 0.86 0.50 -1.84 0.00 5.85 -0.91 -3.15 115.31 116.61 2oig h LEU 60 Ca 0.20 -0.79 0.07 0.00 0.84 0.00 0.00 57.88 58.20 2oig h LEU 60 Cb 0.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2oig h LEU 60 CO -0.02 1.67 0.24 0.58 -0.34 0.00 0.00 178.44 180.58 2oig h VAL 61 N 0.09 0.92 0.00 1.05 2.07 0.38 -2.30 116.25 118.46 2oig h VAL 61 Ca -0.33 -0.07 -0.20 0.00 0.82 0.00 0.00 66.70 66.93 2oig h VAL 61 Cb 2.06 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 2oig h VAL 61 CO 0.15 0.04 -1.17 1.23 0.02 0.00 0.00 177.57 177.84 2oig h GLY 62 N 0.19 0.00 2.00 2.17 0.00 -1.25 -3.22 103.07 102.97 2oig h GLY 62 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 2oig h GLY 62 CO -0.03 0.00 -0.48 0.83 0.00 0.00 0.00 176.54 176.87 2oig h GLU 63 N 0.00 0.00 0.00 4.80 4.39 -1.40 -2.02 114.58 120.35 2oig h GLU 63 Ca -0.12 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2oig h GLU 63 Cb 1.71 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.35 2oig h GLU 63 CO 0.08 0.48 -0.13 0.28 -1.16 0.00 0.00 179.01 178.57 2oig h VAL 64 N 0.00 0.51 0.06 3.13 2.07 -1.48 0.37 116.25 120.92 2oig h VAL 64 Ca -0.00 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2oig h VAL 64 Cb 1.09 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2oig h VAL 64 CO 0.06 0.12 -0.03 1.23 0.02 0.00 0.00 177.57 178.98 2oig h GLY 65 N 1.06 -0.08 0.54 2.17 0.00 -1.39 0.28 103.07 105.65 2oig h GLY 65 Ca -0.00 0.03 0.15 0.00 0.00 0.00 0.00 47.33 47.51 2oig h GLY 65 CO 0.02 -0.03 0.56 0.83 0.00 0.00 0.00 176.54 177.91 2oig h GLU 66 N -0.84 0.55 0.00 4.80 5.08 -1.08 1.37 114.58 124.46 2oig h GLU 66 Ca -0.01 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2oig h GLU 66 Cb 0.63 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2oig h GLU 66 CO 0.01 0.36 -0.46 1.25 -1.00 0.00 0.00 179.01 179.18 2oig h LEU 67 N 0.57 0.00 -0.04 1.33 5.85 -0.85 -3.05 115.31 119.12 2oig h LEU 67 Ca 0.43 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.91 2oig h LEU 67 Cb 0.82 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 2oig h LEU 67 CO -0.18 0.46 -1.08 0.00 -0.34 0.00 0.00 178.44 177.31 2oig h ALA 68 N 1.54 0.27 -0.33 1.25 0.00 0.54 -3.28 119.26 119.24 2oig h ALA 68 Ca -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 2oig h ALA 68 Cb 1.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2oig h ALA 68 CO 0.06 0.96 0.07 0.93 0.00 0.00 0.00 179.25 181.26 2oig h GLU 69 N 0.10 0.48 0.80 0.00 5.08 -0.22 -0.14 114.58 120.68 2oig h GLU 69 Ca -0.09 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2oig h GLU 69 Cb 1.77 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 2oig h GLU 69 CO 0.17 0.46 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.10 2oig h LEU 70 N 0.47 -1.16 -0.71 1.33 3.38 -1.60 -3.18 115.31 113.84 2oig h LEU 70 Ca 0.11 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2oig h LEU 70 Cb 0.21 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2oig h LEU 70 CO -0.00 -0.74 -0.04 -0.26 0.09 0.00 0.00 178.44 177.49 2oig h PHE 71 N -1.18 0.00 -0.80 1.13 -1.00 -1.66 -3.36 116.94 110.07 2oig h PHE 71 Ca -0.11 0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.82 2oig h PHE 71 Cb 0.94 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.35 2oig h PHE 71 CO -0.08 0.04 -0.30 -0.56 -1.61 0.00 0.00 178.31 175.80 2oig h GLN 72 N 0.00 -0.05 -0.00 1.51 3.07 -0.99 -0.33 115.11 118.31 2oig h GLN 72 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2oig h GLN 72 Cb 0.79 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.36 2oig h GLN 72 CO 0.01 -0.03 -0.15 0.91 0.09 0.00 0.00 178.83 179.65 2oig n TRP 73 N -5.49 0.00 0.00 0.06 5.03 -1.26 -4.90 117.44 110.88 2oig n TRP 73 Ca 0.09 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.62 2oig n TRP 73 Cb 0.40 -0.30 0.00 0.00 -1.03 0.00 0.00 31.31 30.38 2oig n TRP 73 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 2oig n LYS 74 N -1.25 3.26 -3.45 -0.99 4.76 -0.14 -5.12 118.16 115.24 2oig n LYS 74 Ca 0.10 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.43 2oig n LYS 74 Cb 0.30 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.47 2oig n LYS 74 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2oig s SER 75 N -1.17 -0.52 0.00 4.39 0.01 -1.26 -5.10 113.70 110.05 2oig s SER 75 Ca 0.00 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2oig s SER 75 Cb 0.00 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2oig s SER 75 CO 0.00 -0.87 0.04 -0.67 0.41 0.00 0.00 173.24 172.15 2oig n ASP 76 N -0.30 0.00 -3.23 2.44 -0.08 -1.26 -3.76 116.55 110.37 2oig n ASP 76 Ca -0.15 0.04 -0.31 0.00 -1.51 0.00 0.00 54.79 52.86 2oig n ASP 76 Cb 0.64 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.07 2oig n ASP 76 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2oig n THR 77 N -0.09 3.89 -3.03 5.18 -1.04 -1.26 -4.98 114.28 112.96 2oig n THR 77 Ca 0.00 -5.67 0.00 0.00 -2.04 0.00 0.00 64.05 56.34 2oig n THR 77 Cb 0.00 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 2oig n THR 77 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2oig n GLU 78 N 0.01 1.71 -0.07 -2.82 1.02 -1.25 -5.01 120.64 114.23 2oig n GLU 78 Ca 0.35 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.47 2oig n GLU 78 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.76 2oig n GLU 78 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2oig n PRO 79 N -0.58 -0.07 0.00 3.49 -0.02 -1.26 -4.95 135.00 131.61 2oig n PRO 79 Ca 0.00 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2oig n PRO 79 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2oig n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oig n GLY 80 N -1.04 2.86 0.00 -1.23 0.00 -1.26 -4.80 105.19 99.71 2oig n GLY 80 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2oig n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oig n PRO 81 N 0.38 0.00 0.02 1.61 -0.02 -1.26 -1.50 135.00 134.23 2oig n PRO 81 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2oig n PRO 81 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2oig n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oig n GLN 82 N -1.85 0.00 -0.01 -0.52 10.64 -1.26 0.39 117.38 124.76 2oig n GLN 82 Ca 0.00 0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 2oig n GLN 82 Cb 0.00 -2.03 0.01 0.00 -0.86 0.00 0.00 30.24 27.36 2oig n GLN 82 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2oig n ALA 83 N -1.05 2.10 -1.05 2.61 0.00 -0.57 -5.05 120.51 117.51 2oig n ALA 83 Ca -0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 53.44 52.22 2oig n ALA 83 Cb 0.53 -0.04 0.17 0.00 0.00 0.00 0.00 19.45 20.11 2oig n ALA 83 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2oig s TRP 84 N -0.85 2.06 0.92 0.00 0.51 1.25 -4.90 118.94 117.93 2oig s TRP 84 Ca 0.02 1.23 -0.11 0.00 -2.12 0.00 0.00 56.10 55.12 2oig s TRP 84 Cb 0.01 -3.19 0.15 0.00 -0.81 0.00 0.00 33.47 29.63 2oig s TRP 84 CO 0.01 -2.77 1.10 -2.14 -0.51 0.00 0.00 176.95 172.64 2oig s PRO 85 N -4.84 1.00 0.03 4.98 0.02 -1.26 -4.77 135.00 130.16 2oig s PRO 85 Ca 0.65 1.12 -0.16 0.00 0.02 0.00 0.00 61.00 62.63 2oig s PRO 85 Cb -0.20 -1.76 -0.08 0.00 0.02 0.00 0.00 34.50 32.48 2oig s PRO 85 CO 0.58 -2.50 1.24 -1.00 -0.33 0.00 0.00 177.00 174.99 2oig h PRO 86 N -1.76 -0.52 -1.50 5.54 0.13 -1.99 -2.12 132.00 129.80 2oig h PRO 86 Ca -0.48 0.04 0.44 0.00 -0.87 0.00 0.00 66.00 65.12 2oig h PRO 86 Cb 1.28 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 32.46 2oig h PRO 86 CO 0.49 -0.34 1.07 0.87 -0.23 0.00 0.00 178.00 179.86 2oig h LYS 87 N -0.53 0.02 0.02 0.86 1.57 -1.98 0.50 116.57 117.03 2oig h LYS 87 Ca -0.05 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2oig h LYS 87 Cb 0.43 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.74 2oig h LYS 87 CO 0.06 0.01 -0.25 0.93 -0.57 0.00 0.00 179.45 179.63 2oig h GLU 88 N 0.02 0.14 -0.33 3.15 5.08 -1.91 -1.91 114.58 118.82 2oig h GLU 88 Ca 0.73 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.96 2oig h GLU 88 Cb 2.85 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 32.13 2oig h GLU 88 CO -0.05 0.97 0.23 0.00 -1.00 0.00 0.00 179.01 179.15 2oig h ARG 89 N -0.61 0.26 0.07 2.33 3.08 0.51 0.51 114.38 120.52 2oig h ARG 89 Ca -0.04 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.75 2oig h ARG 89 Cb 1.07 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 2oig h ARG 89 CO 0.05 0.17 -1.09 0.00 -1.07 0.00 0.00 179.97 178.03 2oig h ALA 90 N 1.82 0.25 -0.24 0.04 0.00 -0.57 -2.69 119.26 117.87 2oig h ALA 90 Ca 0.14 -0.81 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 2oig h ALA 90 Cb 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2oig h ALA 90 CO -0.03 0.93 -0.54 0.00 0.00 0.00 0.00 179.25 179.61 2oig h ALA 91 N 0.71 0.59 0.03 0.00 0.00 -0.23 -2.92 119.26 117.44 2oig h ALA 91 Ca -0.10 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.33 2oig h ALA 91 Cb 1.77 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 2oig h ALA 91 CO 0.18 0.68 -0.25 1.25 0.00 0.00 0.00 179.25 181.11 2oig h LEU 92 N 0.55 -0.75 -0.17 0.00 5.85 -0.00 -1.77 115.31 119.02 2oig h LEU 92 Ca 0.01 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2oig h LEU 92 Cb 1.12 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 2oig h LEU 92 CO 0.11 -0.33 -0.30 1.56 -0.34 0.00 0.00 178.44 179.14 2oig h GLN 93 N -0.41 -0.24 -0.41 1.25 4.20 -1.42 -1.13 115.11 116.94 2oig h GLN 93 Ca 0.05 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.82 2oig h GLN 93 Cb 0.48 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 2oig h GLN 93 CO -0.21 -0.16 -0.24 0.39 -0.67 0.00 0.00 178.83 177.94 2oig n GLU 94 N -4.14 -0.18 -0.12 1.46 1.02 -1.01 0.60 120.64 118.27 2oig n GLU 94 Ca -0.02 0.73 0.08 0.00 -0.02 0.00 0.00 57.16 57.93 2oig n GLU 94 Cb 0.19 -1.08 0.42 0.00 -0.02 0.00 0.00 31.44 30.95 2oig n GLU 94 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2oig h GLU 95 N 0.00 0.58 0.15 3.49 4.39 -0.66 0.47 114.58 123.01 2oig h GLU 95 Ca 0.07 -0.04 -0.30 0.00 0.34 0.00 0.00 59.36 59.43 2oig h GLU 95 Cb 0.17 -0.13 0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2oig h GLU 95 CO -0.39 0.39 -1.29 -0.07 -1.16 0.00 0.00 179.01 176.49 2oig h LEU 96 N 0.60 0.77 -0.10 1.33 3.38 0.14 -3.01 115.31 118.42 2oig h LEU 96 Ca 0.28 -0.75 0.04 0.00 0.09 0.00 0.00 57.88 57.54 2oig h LEU 96 Cb 0.34 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2oig h LEU 96 CO -0.09 1.57 -0.21 0.28 0.09 0.00 0.00 178.44 180.08 2oig h SER 97 N 0.21 -0.64 0.01 -0.43 0.02 0.59 -2.44 113.55 110.87 2oig h SER 97 Ca -0.19 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2oig h SER 97 Cb 1.97 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 64.76 2oig h SER 97 CO 0.24 -0.26 -0.20 0.44 -1.14 0.00 0.00 176.83 175.91 2oig h ASP 98 N -0.28 -0.58 -0.67 3.07 3.32 -0.99 -2.15 116.42 118.13 2oig h ASP 98 Ca 0.09 0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.36 2oig h ASP 98 Cb 0.41 0.24 -0.10 0.00 0.22 0.00 0.00 39.33 40.10 2oig h ASP 98 CO -0.26 -0.27 0.14 0.58 -1.72 0.00 0.00 179.24 177.71 2oig h VAL 99 N -0.33 0.56 0.81 -1.35 2.07 -1.36 -1.29 116.25 115.37 2oig h VAL 99 Ca 0.05 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2oig h VAL 99 Cb 0.39 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2oig h VAL 99 CO -0.17 0.05 -0.39 0.25 0.02 0.00 0.00 177.57 177.32 2oig h LEU 100 N 0.25 -0.92 -1.84 2.57 5.85 -1.14 -0.63 115.31 119.46 2oig h LEU 100 Ca 0.37 0.03 0.54 0.00 0.84 0.00 0.00 57.88 59.66 2oig h LEU 100 Cb 0.59 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.78 2oig h LEU 100 CO -0.47 -0.62 1.31 -0.38 -0.34 0.00 0.00 178.44 177.94 2oig n ILE 101 N -5.13 -0.02 -0.02 4.05 5.41 -0.82 0.11 119.36 122.94 2oig n ILE 101 Ca -0.14 1.44 -0.18 0.00 1.00 0.00 0.00 62.75 64.87 2oig n ILE 101 Cb 0.43 -2.39 -0.14 0.00 -0.71 0.00 0.00 39.64 36.83 2oig n ILE 101 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2oig n TYR 102 N -3.89 1.02 -0.30 1.39 0.53 -0.55 -3.03 117.16 112.33 2oig n TYR 102 Ca 0.42 0.24 -0.03 0.00 -1.02 0.00 0.00 57.90 57.51 2oig n TYR 102 Cb 1.88 -1.14 0.09 0.00 -1.03 0.00 0.00 39.34 39.14 2oig n TYR 102 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 2oig h LEU 103 N 0.05 0.88 -1.19 7.72 5.85 0.24 -0.43 115.31 128.43 2oig h LEU 103 Ca -0.42 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 2oig h LEU 103 Cb 2.02 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 2oig h LEU 103 CO 0.06 0.62 -0.38 0.58 -0.34 0.00 0.00 178.44 178.98 2oig h VAL 104 N 1.04 1.28 0.00 1.05 2.07 0.52 -1.36 116.25 120.86 2oig h VAL 104 Ca 0.32 -1.34 -0.19 0.00 0.82 0.00 0.00 66.70 66.30 2oig h VAL 104 Cb -0.04 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2oig h VAL 104 CO -0.10 0.39 -1.25 0.00 0.02 0.00 0.00 177.57 176.63 2oig h ALA 105 N 1.58 0.64 0.00 1.67 0.00 -1.28 -2.34 119.26 119.54 2oig h ALA 105 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 54.91 54.00 2oig h ALA 105 Cb 0.70 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2oig h ALA 105 CO 0.05 1.05 -0.00 1.25 0.00 0.00 0.00 179.25 181.60 2oig h LEU 106 N 0.00 -0.00 -0.76 0.00 5.85 -1.04 -0.14 115.31 119.21 2oig h LEU 106 Ca -0.14 -0.81 0.13 0.00 0.84 0.00 0.00 57.88 57.90 2oig h LEU 106 Cb 1.66 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.61 2oig h LEU 106 CO 0.07 0.81 0.34 0.00 -0.34 0.00 0.00 178.44 179.32 2oig h ALA 107 N 0.17 1.08 -0.15 1.25 0.00 -1.37 0.33 119.26 120.56 2oig h ALA 107 Ca -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2oig h ALA 107 Cb 0.81 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2oig h ALA 107 CO 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 179.25 178.93 2oig h ALA 108 N 1.51 0.23 0.00 0.00 0.00 -1.42 -1.18 119.26 118.40 2oig h ALA 108 Ca 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2oig h ALA 108 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2oig h ALA 108 CO -0.36 0.15 0.00 -0.09 0.00 0.00 0.00 179.25 178.95 2oig h ARG 109 N 0.03 0.00 -0.08 0.00 9.65 0.01 0.29 114.38 124.27 2oig h ARG 109 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2oig h ARG 109 Cb 0.73 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 2oig h ARG 109 CO 0.04 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.81 2oig n HIS 111 N 0.98 -2.40 -4.69 0.00 8.25 0.10 -4.99 115.22 112.46 2oig n HIS 111 Ca 0.16 0.81 -0.25 0.00 -0.26 0.00 0.00 57.72 58.18 2oig n HIS 111 Cb 0.52 -3.75 -0.16 0.00 1.12 0.00 0.00 29.99 27.71 2oig n HIS 111 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2oig s VAL 112 N -3.25 1.26 -1.20 1.59 1.01 -0.46 -5.04 120.40 114.30 2oig s VAL 112 Ca 0.27 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 2oig s VAL 112 Cb -0.07 -1.11 0.10 0.00 0.00 0.00 0.00 36.38 35.30 2oig s VAL 112 CO 0.80 0.37 1.57 -0.62 0.00 0.00 0.00 175.10 177.23 2oig s ASP 113 N 0.35 6.83 0.29 3.32 3.68 -1.26 -4.46 116.67 125.42 2oig s ASP 113 Ca -0.09 -2.39 0.04 0.00 2.13 0.00 0.00 52.55 52.23 2oig s ASP 113 Cb -0.13 -2.52 0.69 0.00 -1.45 0.00 0.00 42.92 39.50 2oig s ASP 113 CO 0.03 -1.11 1.75 0.25 0.13 0.00 0.00 175.17 176.21 2oig h LEU 114 N 11.74 0.58 -0.16 -1.34 5.85 -1.97 0.34 115.31 130.35 2oig h LEU 114 Ca 0.35 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 59.04 2oig h LEU 114 Cb 0.90 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2oig h LEU 114 CO 1.38 0.17 -0.46 -0.65 -0.34 0.00 0.00 178.44 178.54 2oig h PRO 115 N 0.61 0.60 0.00 5.25 0.11 -1.97 -3.26 132.00 133.33 2oig h PRO 115 Ca 0.55 -0.43 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 2oig h PRO 115 Cb 0.90 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2oig h PRO 115 CO -0.42 1.05 -0.42 0.37 -0.21 0.00 0.00 178.00 178.36 2oig h GLN 116 N 0.26 0.00 0.00 1.05 4.15 -1.84 -2.85 115.11 115.87 2oig h GLN 116 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2oig h GLN 116 Cb 1.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2oig h GLN 116 CO 0.10 0.42 0.00 0.00 -1.93 0.00 0.00 178.83 177.42 2oig n ALA 117 N -2.26 2.06 0.01 3.38 0.00 0.11 -1.84 120.51 121.98 2oig n ALA 117 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 2oig n ALA 117 Cb 0.61 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 2oig n ALA 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2oig h VAL 118 N 0.00 0.94 0.00 0.00 2.07 -1.55 -3.28 116.25 114.43 2oig h VAL 118 Ca 0.00 -2.70 -0.09 0.00 0.82 0.00 0.00 66.70 64.73 2oig h VAL 118 Cb 0.28 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2oig h VAL 118 CO 0.00 0.54 -0.51 0.40 0.02 0.00 0.00 177.57 178.01 2oig h ILE 119 N 0.00 1.30 0.00 4.57 1.08 -1.56 -3.24 117.51 119.66 2oig h ILE 119 Ca -0.21 -2.17 0.00 0.00 -0.39 0.00 0.00 64.86 62.09 2oig h ILE 119 Cb 1.88 2.65 0.00 0.00 -3.07 0.00 0.00 36.82 38.28 2oig h ILE 119 CO 0.08 0.44 0.70 0.28 -0.69 0.00 0.00 178.15 178.96 2oig h SER 120 N -1.00 0.00 -0.35 1.72 0.02 -1.53 2.42 113.55 114.84 2oig h SER 120 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2oig h SER 120 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2oig h SER 120 CO -0.08 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.90 2oig n LYS 121 N -2.52 1.84 0.00 3.45 5.02 -1.22 -5.08 118.16 119.64 2oig n LYS 121 Ca -0.01 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 54.98 2oig n LYS 121 Cb 0.71 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 2oig n LYS 121 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55