#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oig s PHE 23 N 0.00 3.19 -0.24 0.54 5.36 -1.26 -5.10 117.98 120.47 2oig s PHE 23 Ca 0.00 0.03 -0.32 0.00 -0.96 0.00 0.00 56.93 55.68 2oig s PHE 23 Cb 0.00 -1.56 0.17 0.00 -0.34 0.00 0.00 43.02 41.28 2oig s PHE 23 CO 0.00 0.52 1.27 0.50 -1.46 0.00 0.00 175.22 176.05 2oig s ARG 24 N -2.88 0.20 0.17 10.12 3.52 -1.26 -5.16 118.95 123.67 2oig s ARG 24 Ca 0.31 -0.00 -0.01 0.00 -0.13 0.00 0.00 55.73 55.90 2oig s ARG 24 Cb -0.11 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 2oig s ARG 24 CO 0.23 -0.07 0.36 -0.06 -0.81 0.00 0.00 175.30 174.95 2oig s PHE 25 N -1.50 3.49 0.27 5.12 2.99 -1.26 -5.07 117.98 122.01 2oig s PHE 25 Ca 0.08 0.32 -0.30 0.00 0.00 0.00 0.00 56.93 57.04 2oig s PHE 25 Cb -0.01 -1.83 -0.09 0.00 0.00 0.00 0.00 43.02 41.08 2oig s PHE 25 CO -0.05 0.43 1.08 -1.12 -0.00 0.00 0.00 175.22 175.55 2oig s SER 26 N -3.03 7.32 0.00 1.36 0.01 -1.26 -4.88 113.70 113.23 2oig s SER 26 Ca 0.38 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.86 2oig s SER 26 Cb -0.11 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2oig s SER 26 CO 0.28 -0.10 0.28 -0.81 0.41 0.00 0.00 173.24 173.30 2oig n PRO 27 N 1.26 0.00 0.00 12.44 -0.04 -1.26 -4.62 135.00 142.79 2oig n PRO 27 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2oig n PRO 27 Cb 0.45 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2oig n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2oig n GLU 28 N -0.75 0.00 -1.68 0.54 0.28 -1.26 -4.63 120.64 113.14 2oig n GLU 28 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.55 2oig n GLU 28 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 2oig n GLU 28 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2oig n PRO 29 N -0.34 2.24 -1.46 3.44 -0.02 -1.26 -5.17 135.00 132.43 2oig n PRO 29 Ca 0.00 0.80 -0.29 0.00 -2.02 0.00 0.00 63.50 61.99 2oig n PRO 29 Cb 0.00 -2.54 0.19 0.00 -0.02 0.00 0.00 33.50 31.13 2oig n PRO 29 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2oig s THR 30 N 0.44 1.86 0.41 3.45 -4.23 -1.26 -4.80 115.64 111.51 2oig s THR 30 Ca 0.72 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 61.42 2oig s THR 30 Cb -0.63 -2.71 0.20 0.00 1.34 0.00 0.00 72.50 70.70 2oig s THR 30 CO 0.43 0.00 1.97 -0.07 -0.54 0.00 0.00 174.62 176.42 2oig h LEU 31 N -1.93 0.00 -0.65 4.79 3.38 -2.00 -1.83 115.31 117.08 2oig h LEU 31 Ca -0.47 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.35 2oig h LEU 31 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2oig h LEU 31 CO 0.46 0.21 -0.65 -0.08 0.09 0.00 0.00 178.44 178.47 2oig h GLU 32 N 0.00 0.11 0.38 1.13 4.57 -1.99 -2.87 114.58 115.91 2oig h GLU 32 Ca -0.00 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2oig h GLU 32 Cb 0.42 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2oig h GLU 32 CO 0.03 0.72 -0.18 -0.44 -1.18 0.00 0.00 179.01 177.96 2oig h ASP 33 N 0.08 -0.43 -0.55 1.04 3.45 -1.68 -2.69 116.42 115.64 2oig h ASP 33 Ca -0.01 0.01 0.16 0.00 0.43 0.00 0.00 57.03 57.62 2oig h ASP 33 Cb 1.16 0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 40.02 2oig h ASP 33 CO 0.09 -0.14 0.72 0.40 -1.57 0.00 0.00 179.24 178.74 2oig h ILE 34 N -0.85 0.18 0.03 0.35 2.04 -1.57 0.75 117.51 118.45 2oig h ILE 34 Ca -0.05 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.62 2oig h ILE 34 Cb 0.39 0.40 0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2oig h ILE 34 CO 0.09 0.00 -0.77 -0.09 0.00 0.00 0.00 178.15 177.38 2oig h ARG 35 N 0.00 0.46 -0.08 2.37 2.43 -1.49 -3.27 114.38 114.80 2oig h ARG 35 Ca 0.26 -0.54 -0.16 0.00 -0.81 0.00 0.00 59.98 58.73 2oig h ARG 35 Cb 1.71 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 31.41 2oig h ARG 35 CO -0.00 1.19 -0.65 0.07 -1.51 0.00 0.00 179.97 179.07 2oig h ARG 36 N -0.03 0.31 0.00 0.20 0.11 0.68 -3.27 114.38 112.38 2oig h ARG 36 Ca -0.10 -0.22 -0.02 0.00 0.10 0.00 0.00 59.98 59.73 2oig h ARG 36 Cb 1.48 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.60 2oig h ARG 36 CO 0.15 0.85 -0.09 -0.07 0.10 0.00 0.00 179.97 180.91 2oig h LEU 37 N 0.22 0.00 0.00 0.08 3.38 -0.66 -3.31 115.31 115.02 2oig h LEU 37 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2oig h LEU 37 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2oig h LEU 37 CO 0.10 0.09 -1.52 1.57 0.09 0.00 0.00 178.44 178.78 2oig n HIS 38 N -3.16 0.00 -1.82 1.13 -0.00 -1.23 -5.07 115.22 105.06 2oig n HIS 38 Ca 0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.32 2oig n HIS 38 Cb 0.45 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.99 30.12 2oig n HIS 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2oig s ALA 39 N -2.55 3.71 0.00 1.57 0.00 -1.23 -5.15 121.76 118.11 2oig s ALA 39 Ca -0.04 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2oig s ALA 39 Cb 0.05 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2oig s ALA 39 CO 0.41 -0.95 0.00 0.94 0.00 0.00 0.00 175.76 176.16 2oig n GLN 49 N 2.05 0.00 -0.05 0.00 7.27 -1.26 -5.11 117.38 120.28 2oig n GLN 49 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.13 2oig n GLN 49 Cb 0.38 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.02 2oig n GLN 49 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2oig n PHE 50 N -2.04 -0.05 0.00 3.69 0.99 -1.26 -1.80 117.46 116.99 2oig n PHE 50 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 2oig n PHE 50 Cb 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 39.48 38.07 2oig n PHE 50 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 2oig n HIS 51 N -3.08 0.00 -3.31 1.38 8.25 -1.26 -4.58 115.22 112.62 2oig n HIS 51 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2oig n HIS 51 Cb 0.03 -0.33 0.02 0.00 1.12 0.00 0.00 29.99 30.84 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 2.27 2.42 0.09 -0.41 -1.52 -0.75 -5.01 119.66 116.76 2oig s GLN 52 Ca 0.00 -1.65 -0.29 0.00 -1.95 0.00 0.00 55.36 51.48 2oig s GLN 52 Cb 0.00 -2.50 -0.11 0.00 -0.22 0.00 0.00 33.01 30.18 2oig s GLN 52 CO 0.00 -0.60 1.46 -1.35 -0.25 0.00 0.00 175.29 174.55 2oig h PRO 53 N 0.52 -0.53 -0.01 2.91 0.11 -1.90 -2.99 132.00 130.11 2oig h PRO 53 Ca -0.35 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2oig h PRO 53 Cb 1.29 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.52 2oig h PRO 53 CO 0.48 -0.35 -0.27 0.54 -0.21 0.00 0.00 178.00 178.19 2oig n ARG 54 N -4.97 0.83 0.04 1.05 1.74 -1.26 -2.93 116.66 111.15 2oig n ARG 54 Ca -0.06 -0.49 -0.06 0.00 -0.77 0.00 0.00 57.85 56.47 2oig n ARG 54 Cb 0.33 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.17 2oig n ARG 54 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2oig h ASN 55 N 1.21 0.00 1.21 0.55 4.21 -1.84 -2.91 115.58 118.02 2oig h ASN 55 Ca 0.00 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.38 2oig h ASN 55 Cb 0.51 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.69 2oig h ASN 55 CO 0.00 0.91 -0.61 -0.07 -1.29 0.00 0.00 177.43 176.37 2oig h LEU 56 N 0.00 0.00 0.00 1.61 3.38 -1.54 -2.81 115.31 115.95 2oig h LEU 56 Ca -0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 2oig h LEU 56 Cb 1.80 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.53 2oig h LEU 56 CO 0.10 0.61 -0.69 0.25 0.09 0.00 0.00 178.44 178.80 2oig h LEU 57 N 0.00 0.00 0.00 1.67 5.85 -1.54 -2.49 115.31 118.79 2oig h LEU 57 Ca -0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2oig h LEU 57 Cb 1.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2oig h LEU 57 CO 0.08 0.66 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.44 2oig h LEU 58 N 0.00 0.00 0.00 2.25 3.38 -1.46 -2.92 115.31 116.56 2oig h LEU 58 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2oig h LEU 58 Cb 1.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 2oig h LEU 58 CO 0.08 0.30 -0.44 0.00 0.09 0.00 0.00 178.44 178.48 2oig h ALA 59 N 1.70 0.79 0.00 1.53 0.00 -1.45 -2.76 119.26 119.08 2oig h ALA 59 Ca -0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2oig h ALA 59 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2oig h ALA 59 CO 0.04 0.12 -0.24 1.25 0.00 0.00 0.00 179.25 180.42 2oig h LEU 60 N 0.00 0.20 -2.17 0.00 5.85 -1.42 -3.03 115.31 114.75 2oig h LEU 60 Ca -0.01 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 2oig h LEU 60 Cb 1.07 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2oig h LEU 60 CO 0.01 0.97 -0.06 0.58 -0.34 0.00 0.00 178.44 179.60 2oig h VAL 61 N -0.54 0.61 0.20 1.05 2.07 -1.56 -1.92 116.25 116.16 2oig h VAL 61 Ca -0.03 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2oig h VAL 61 Cb 1.01 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2oig h VAL 61 CO 0.05 0.06 -0.10 1.23 0.02 0.00 0.00 177.57 178.83 2oig h GLY 62 N 0.38 -0.28 1.99 2.17 0.00 -1.42 -1.49 103.07 104.42 2oig h GLY 62 Ca -0.00 0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2oig h GLY 62 CO 0.01 -0.10 -0.18 0.83 0.00 0.00 0.00 176.54 177.10 2oig h GLU 63 N -0.65 0.02 0.00 4.80 4.39 -1.39 0.82 114.58 122.56 2oig h GLU 63 Ca -0.03 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2oig h GLU 63 Cb 0.47 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2oig h GLU 63 CO 0.05 0.20 -0.06 0.28 -1.16 0.00 0.00 179.01 178.31 2oig h VAL 64 N 0.02 0.18 0.00 3.13 2.07 -1.18 0.34 116.25 120.81 2oig h VAL 64 Ca 0.00 -0.53 -0.18 0.00 0.82 0.00 0.00 66.70 66.81 2oig h VAL 64 Cb 0.33 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2oig h VAL 64 CO 0.02 0.05 -0.94 1.23 0.02 0.00 0.00 177.57 177.95 2oig h GLY 65 N 1.53 0.00 0.91 2.17 0.00 0.17 -0.95 103.07 106.89 2oig h GLY 65 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 2oig h GLY 65 CO 0.01 0.00 -1.23 0.83 0.00 0.00 0.00 176.54 176.14 2oig h GLU 66 N 0.00 0.40 -0.71 4.80 5.08 -0.19 -3.02 114.58 120.93 2oig h GLU 66 Ca -0.04 -0.68 -0.03 0.00 -1.00 0.00 0.00 59.36 57.61 2oig h GLU 66 Cb 1.66 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 31.13 2oig h GLU 66 CO 0.10 1.32 0.34 1.25 -1.00 0.00 0.00 179.01 181.03 2oig h LEU 67 N -0.12 0.93 -1.61 1.33 5.85 -0.41 -1.58 115.31 119.69 2oig h LEU 67 Ca -0.23 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 2oig h LEU 67 Cb 1.90 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2oig h LEU 67 CO 0.19 0.80 -0.21 0.00 -0.34 0.00 0.00 178.44 178.88 2oig h ALA 68 N 1.17 1.37 0.00 1.25 0.00 -1.25 -2.60 119.26 119.19 2oig h ALA 68 Ca 0.24 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2oig h ALA 68 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2oig h ALA 68 CO -0.03 0.26 -0.41 0.93 0.00 0.00 0.00 179.25 180.00 2oig h GLU 69 N 0.00 0.00 -0.97 0.00 5.08 -1.15 -2.80 114.58 114.73 2oig h GLU 69 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2oig h GLU 69 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2oig h GLU 69 CO 0.03 0.41 0.02 1.28 -1.00 0.00 0.00 179.01 179.75 2oig n LEU 70 N -3.64 1.99 0.00 1.33 4.77 -0.98 -3.56 117.00 116.92 2oig n LEU 70 Ca -0.01 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 2oig n LEU 70 Cb 0.51 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2oig n LEU 70 CO 0.38 0.36 0.00 0.49 -1.33 0.00 0.00 177.39 177.29 2oig n PHE 71 N 0.14 0.00 -0.27 -1.77 3.01 -1.09 -4.94 117.46 112.54 2oig n PHE 71 Ca 0.03 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.57 2oig n PHE 71 Cb 0.42 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 40.08 2oig n PHE 71 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2oig h GLN 72 N 0.00 0.13 -1.08 -1.08 3.07 -1.55 -1.40 115.11 113.20 2oig h GLN 72 Ca 0.00 -0.01 -0.48 0.00 0.09 0.00 0.00 58.65 58.26 2oig h GLN 72 Cb 0.00 -0.03 -0.24 0.00 0.08 0.00 0.00 27.48 27.29 2oig h GLN 72 CO 0.00 0.08 0.61 0.91 0.09 0.00 0.00 178.83 180.52 2oig n TRP 73 N -5.32 2.54 -0.52 0.06 5.03 -1.26 -4.85 117.44 113.12 2oig n TRP 73 Ca 0.16 -2.04 0.00 0.00 3.03 0.00 0.00 57.50 58.65 2oig n TRP 73 Cb 0.53 -1.01 0.00 0.00 -1.03 0.00 0.00 31.31 29.80 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 -0.67 3.58 -3.61 -0.99 4.76 -0.53 -5.16 118.16 115.54 2oig n LYS 74 Ca 0.50 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.93 2oig n LYS 74 Cb 1.10 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 34.28 2oig n LYS 74 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2oig s SER 75 N -1.00 -0.08 -0.50 4.39 1.04 -1.26 -5.09 113.70 111.19 2oig s SER 75 Ca 0.00 -0.06 -0.28 0.00 0.48 0.00 0.00 55.95 56.09 2oig s SER 75 Cb 0.00 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.26 2oig s SER 75 CO 0.00 -0.22 1.41 -1.81 0.98 0.00 0.00 173.24 173.60 2oig s ASP 76 N -2.56 6.21 0.00 7.02 1.11 -1.26 -5.07 116.67 122.12 2oig s ASP 76 Ca 0.12 0.49 0.00 0.00 0.18 0.00 0.00 52.55 53.34 2oig s ASP 76 Cb 0.02 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2oig s ASP 76 CO -0.04 -1.60 0.00 0.41 1.18 0.00 0.00 175.17 175.12 2oig n THR 77 N 6.95 0.00 -1.13 -1.27 -1.04 -1.26 -5.30 114.28 111.24 2oig n THR 77 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2oig n THR 77 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 2oig n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oig n GLY 80 N 0.00 5.43 0.27 3.41 0.00 -1.26 -5.16 105.19 107.88 2oig n GLY 80 Ca 0.00 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 0.91 0.00 1.61 -0.02 -1.26 -3.60 135.00 132.64 2oig n PRO 81 Ca 0.00 -0.54 0.12 0.00 -2.02 0.00 0.00 63.50 61.06 2oig n PRO 81 Cb 0.00 -1.49 0.54 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.57 0.00 -1.19 -0.52 10.64 -1.26 -3.22 117.38 121.26 2oig n GLN 82 Ca 0.13 0.07 -0.04 0.00 -1.83 0.00 0.00 57.00 55.33 2oig n GLN 82 Cb 0.35 -1.50 0.13 0.00 -0.86 0.00 0.00 30.24 28.36 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 -1.50 3.94 -2.51 2.61 0.00 -1.24 -5.06 120.51 116.76 2oig n ALA 83 Ca 0.06 -3.36 -0.29 0.00 0.00 0.00 0.00 53.44 49.85 2oig n ALA 83 Cb 0.30 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 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 -3.13 3.47 1.05 0.00 0.52 -1.20 -4.98 118.94 114.68 2oig s TRP 84 Ca 0.41 0.67 -0.18 0.00 0.02 0.00 0.00 56.10 57.02 2oig s TRP 84 Cb 0.38 -2.13 0.02 0.00 -1.15 0.00 0.00 33.47 30.60 2oig s TRP 84 CO -0.04 0.19 -0.19 -2.30 0.02 0.00 0.00 176.95 174.63 2oig n PRO 85 N -0.78 -0.89 0.18 4.98 -0.02 -1.26 -4.51 135.00 132.69 2oig n PRO 85 Ca -0.01 -0.24 -0.14 0.00 -2.02 0.00 0.00 63.50 61.09 2oig n PRO 85 Cb 0.54 -1.58 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 2oig n PRO 85 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2oig h PRO 86 N -1.69 -0.44 0.00 0.52 0.11 -1.99 -1.82 132.00 126.69 2oig h PRO 86 Ca -0.48 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2oig h PRO 86 Cb 1.34 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.55 2oig h PRO 86 CO 0.33 -0.14 0.12 0.87 -0.21 0.00 0.00 178.00 178.97 2oig h LYS 87 N -0.76 0.00 0.00 1.05 1.57 -1.98 0.30 116.57 116.75 2oig h LYS 87 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2oig h LYS 87 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2oig h LYS 87 CO 0.08 0.00 -0.26 0.93 -0.57 0.00 0.00 179.45 179.63 2oig h GLU 88 N 0.00 0.00 -0.93 3.15 5.08 -1.88 -3.15 114.58 116.85 2oig h GLU 88 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 2oig h GLU 88 Cb 0.24 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.36 2oig h GLU 88 CO 0.00 0.06 0.46 -0.09 -1.00 0.00 0.00 179.01 178.44 2oig h ARG 89 N -1.00 0.44 -0.23 2.33 2.43 -0.81 0.93 114.38 118.46 2oig h ARG 89 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2oig h ARG 89 Cb 0.29 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2oig h ARG 89 CO -0.01 0.29 0.10 0.00 -1.51 0.00 0.00 179.97 178.85 2oig h ALA 90 N 1.72 1.74 0.00 2.80 0.00 -0.56 -0.24 119.26 124.72 2oig h ALA 90 Ca 0.59 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 2oig h ALA 90 Cb 1.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2oig h ALA 90 CO -0.52 0.21 -0.66 0.00 0.00 0.00 0.00 179.25 178.28 2oig h ALA 91 N 1.79 0.71 0.00 0.00 0.00 0.76 -2.83 119.26 119.70 2oig h ALA 91 Ca 0.08 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2oig h ALA 91 Cb 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2oig h ALA 91 CO -0.01 0.22 -0.65 1.25 0.00 0.00 0.00 179.25 180.06 2oig h LEU 92 N 0.00 0.00 0.09 0.00 5.85 0.10 -0.89 115.31 120.46 2oig h LEU 92 Ca -0.02 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.40 2oig h LEU 92 Cb 1.14 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2oig h LEU 92 CO 0.02 0.65 -1.52 1.56 -0.34 0.00 0.00 178.44 178.80 2oig h GLN 93 N 0.00 0.19 0.71 1.25 4.20 -1.27 -3.15 115.11 117.03 2oig h GLN 93 Ca -0.01 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.35 2oig h GLN 93 Cb 1.17 0.12 0.01 0.00 0.30 0.00 0.00 27.48 29.08 2oig h GLN 93 CO 0.08 1.01 -0.34 0.93 -0.67 0.00 0.00 178.83 179.85 2oig h GLU 94 N 0.05 -0.91 0.00 1.46 5.08 -1.37 -2.47 114.58 116.42 2oig h GLU 94 Ca -0.23 0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2oig h GLU 94 Cb 1.99 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 31.44 2oig h GLU 94 CO 0.14 -0.58 -0.27 1.49 -1.00 0.00 0.00 179.01 178.79 2oig h GLU 95 N -1.09 0.00 -0.31 2.33 4.57 -1.34 -2.46 114.58 116.28 2oig h GLU 95 Ca -0.10 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 2oig h GLU 95 Cb 0.75 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 2oig h GLU 95 CO 0.16 0.27 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.99 2oig h LEU 96 N 0.00 0.71 -0.38 1.64 3.38 -1.53 -2.94 115.31 116.19 2oig h LEU 96 Ca -0.00 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 2oig h LEU 96 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2oig h LEU 96 CO 0.03 0.99 -0.03 0.77 0.09 0.00 0.00 178.44 180.30 2oig h SER 97 N 0.44 0.68 -0.63 -0.43 4.64 -1.27 -2.91 113.55 114.07 2oig h SER 97 Ca 0.06 -0.33 0.13 0.00 -0.47 0.00 0.00 61.79 61.18 2oig h SER 97 Cb 0.74 -0.18 -0.12 0.00 -0.31 0.00 0.00 62.40 62.53 2oig h SER 97 CO 0.06 0.84 -0.18 0.44 -0.87 0.00 0.00 176.83 177.12 2oig h ASP 98 N 0.51 -0.65 0.00 4.97 5.19 -1.41 0.24 116.42 125.27 2oig h ASP 98 Ca 0.10 0.20 0.02 0.00 -0.62 0.00 0.00 57.03 56.74 2oig h ASP 98 Cb 0.51 0.41 -0.03 0.00 0.18 0.00 0.00 39.33 40.40 2oig h ASP 98 CO 0.02 -0.22 -0.16 0.58 -3.12 0.00 0.00 179.24 176.34 2oig h VAL 99 N -0.02 0.61 -0.01 -1.35 2.07 -1.37 -2.20 116.25 113.97 2oig h VAL 99 Ca 0.30 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.83 2oig h VAL 99 Cb 0.48 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2oig h VAL 99 CO -0.66 0.00 -0.34 0.25 0.02 0.00 0.00 177.57 176.84 2oig h LEU 100 N -0.27 -1.04 -1.84 2.57 5.85 -0.77 0.17 115.31 119.98 2oig h LEU 100 Ca 0.05 0.12 0.49 0.00 0.84 0.00 0.00 57.88 59.38 2oig h LEU 100 Cb 0.34 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 2oig h LEU 100 CO -0.16 -0.32 1.31 0.40 -0.34 0.00 0.00 178.44 179.33 2oig h ILE 101 N -0.41 0.06 0.08 4.05 2.04 -0.26 2.04 117.51 125.10 2oig h ILE 101 Ca 0.01 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.50 2oig h ILE 101 Cb 0.45 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2oig h ILE 101 CO -0.23 0.00 -2.11 -1.22 0.00 0.00 0.00 178.15 174.58 2oig n TYR 102 N -3.84 0.86 -0.23 1.37 4.02 -0.52 -2.15 117.16 116.66 2oig n TYR 102 Ca 0.38 0.19 -0.01 0.00 -0.01 0.00 0.00 57.90 58.46 2oig n TYR 102 Cb 1.83 -1.11 0.21 0.00 -0.02 0.00 0.00 39.34 40.25 2oig n TYR 102 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2oig h LEU 103 N -0.03 0.91 0.03 7.72 5.85 0.24 0.83 115.31 130.86 2oig h LEU 103 Ca -0.47 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 2oig h LEU 103 Cb 1.95 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 2oig h LEU 103 CO 0.01 0.69 -0.03 0.58 -0.34 0.00 0.00 178.44 179.35 2oig h VAL 104 N 1.05 0.00 -0.68 1.05 2.07 0.30 -2.51 116.25 117.54 2oig h VAL 104 Ca 0.28 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.89 2oig h VAL 104 Cb -0.06 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.60 2oig h VAL 104 CO -0.05 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.08 2oig h ALA 105 N -1.68 -0.31 -0.66 1.67 0.00 -0.73 -1.29 119.26 116.27 2oig h ALA 105 Ca -0.00 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.17 2oig h ALA 105 Cb 0.06 1.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 2oig h ALA 105 CO -0.01 -0.83 0.10 1.25 0.00 0.00 0.00 179.25 179.77 2oig h LEU 106 N -0.18 -0.09 -0.18 0.00 5.85 0.64 -1.97 115.31 119.39 2oig h LEU 106 Ca 0.20 0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.86 2oig h LEU 106 Cb 0.55 0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.80 2oig h LEU 106 CO -0.76 -0.05 -0.65 0.00 -0.34 0.00 0.00 178.44 176.64 2oig h ALA 107 N 1.56 0.32 0.00 1.25 0.00 -0.94 -2.14 119.26 119.31 2oig h ALA 107 Ca 0.36 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2oig h ALA 107 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2oig h ALA 107 CO -0.49 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2oig n ALA 108 N -2.58 1.32 0.36 0.00 0.00 -0.54 -0.95 120.51 118.12 2oig n ALA 108 Ca -0.07 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.41 2oig n ALA 108 Cb 0.68 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 2oig n ALA 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2oig n ARG 109 N -1.49 1.92 0.00 0.00 3.00 -0.80 -4.10 116.66 115.19 2oig n ARG 109 Ca 0.02 -0.05 0.12 0.00 -0.00 0.00 0.00 57.85 57.95 2oig n ARG 109 Cb 0.08 -1.17 0.26 0.00 0.00 0.00 0.00 32.46 31.63 2oig n ARG 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2oig n HIS 111 N -0.50 -1.78 -4.99 0.00 8.25 -0.40 -5.03 115.22 110.78 2oig n HIS 111 Ca 0.11 0.71 -0.32 0.00 -0.26 0.00 0.00 57.72 57.96 2oig n HIS 111 Cb 0.38 -4.18 -0.17 0.00 1.12 0.00 0.00 29.99 27.15 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 -3.29 1.99 -0.74 1.59 1.01 -0.93 -5.02 120.40 115.01 2oig s VAL 112 Ca 0.12 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 2oig s VAL 112 Cb -0.02 -1.74 -0.17 0.00 0.00 0.00 0.00 36.38 34.46 2oig s VAL 112 CO 0.57 0.54 1.92 -0.67 0.00 0.00 0.00 175.10 177.46 2oig n ASP 113 N 3.73 2.48 -0.21 3.32 -0.08 -1.26 -4.50 116.55 120.03 2oig n ASP 113 Ca -0.19 -2.67 0.02 0.00 -1.51 0.00 0.00 54.79 50.43 2oig n ASP 113 Cb 0.52 -1.09 0.06 0.00 2.34 0.00 0.00 41.12 42.95 2oig n ASP 113 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2oig n LEU 114 N 7.49 -0.27 0.30 -2.67 7.94 -1.26 -1.27 117.00 127.26 2oig n LEU 114 Ca 0.49 0.99 -0.13 0.00 -1.11 0.00 0.00 56.01 56.25 2oig n LEU 114 Cb 0.40 -0.27 -0.07 0.00 0.53 0.00 0.00 43.42 44.02 2oig n LEU 114 CO 1.04 -0.92 0.52 -0.65 -1.11 0.00 0.00 177.39 176.28 2oig h PRO 115 N 0.00 -0.80 -0.01 1.96 0.11 -1.98 -3.17 132.00 128.11 2oig h PRO 115 Ca 0.24 0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.43 2oig h PRO 115 Cb 0.39 0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 2oig h PRO 115 CO -0.58 -0.53 -0.12 1.96 -0.21 0.00 0.00 178.00 178.52 2oig h GLN 116 N -0.83 -0.19 0.00 1.05 1.08 -1.79 -2.10 115.11 112.33 2oig h GLN 116 Ca -0.08 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2oig h GLN 116 Cb 0.66 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2oig h GLN 116 CO 0.08 -0.13 0.71 0.00 -0.95 0.00 0.00 178.83 178.55 2oig h ALA 117 N 0.78 1.55 0.08 3.87 0.00 -1.19 0.24 119.26 124.59 2oig h ALA 117 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 2oig h ALA 117 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2oig h ALA 117 CO -0.13 -0.55 -0.98 0.28 0.00 0.00 0.00 179.25 177.87 2oig h VAL 118 N 0.00 1.26 -0.16 0.00 2.07 -1.35 -3.32 116.25 114.76 2oig h VAL 118 Ca 0.00 -2.38 -0.12 0.00 0.82 0.00 0.00 66.70 65.03 2oig h VAL 118 Cb 1.41 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 34.04 2oig h VAL 118 CO 0.00 0.62 -0.40 0.16 0.02 0.00 0.00 177.57 177.97 2oig h ILE 119 N -0.58 1.30 -0.50 4.57 -0.00 -0.62 -2.42 117.51 119.27 2oig h ILE 119 Ca -0.22 -1.53 0.03 0.00 -0.00 0.00 0.00 64.86 63.14 2oig h ILE 119 Cb 1.50 1.62 -0.03 0.00 -0.00 0.00 0.00 36.82 39.92 2oig h ILE 119 CO 0.02 0.47 0.33 0.77 -0.00 0.00 0.00 178.15 179.74 2oig h SER 120 N 0.31 0.50 1.22 2.16 4.64 -1.63 0.59 113.55 121.34 2oig h SER 120 Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2oig h SER 120 Cb 0.84 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2oig h SER 120 CO 0.07 0.35 0.00 0.11 -0.87 0.00 0.00 176.83 176.49 2oig h LYS 121 N 0.59 0.00 -0.03 4.77 1.57 -1.53 -3.52 116.57 118.42 2oig h LYS 121 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2oig h LYS 121 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2oig h LYS 121 CO -0.05 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.50