#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oae h VAL 2 N 0.00 1.17 -0.12 2.12 2.07 -1.83 -2.35 116.25 117.32 1oae h VAL 2 Ca 0.00 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1oae h VAL 2 Cb 0.00 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1oae h VAL 2 CO 0.00 0.20 0.02 0.74 0.02 0.00 0.00 177.57 178.55 1oae h THR 3 N 0.72 1.22 -0.66 2.57 2.02 -1.96 0.12 112.91 116.94 1oae h THR 3 Ca 0.18 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 1oae h THR 3 Cb 0.09 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1oae h THR 3 CO -0.02 0.21 0.20 0.78 0.37 0.00 0.00 175.52 177.05 1oae h ASN 4 N -0.03 0.97 -0.26 4.18 -0.26 -1.79 -1.56 115.58 116.83 1oae h ASN 4 Ca 0.04 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 1oae h ASN 4 Cb 0.30 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1oae h ASN 4 CO 0.00 0.93 0.17 0.00 -1.06 0.00 0.00 177.43 177.47 1oae h ALA 5 N 1.08 0.33 -0.69 -0.83 0.00 -0.92 -2.16 119.26 116.07 1oae h ALA 5 Ca 0.21 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1oae h ALA 5 Cb 0.31 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1oae h ALA 5 CO -0.00 -0.21 0.41 1.49 0.00 0.00 0.00 179.25 180.94 1oae h GLU 6 N 0.35 0.75 -0.56 0.00 4.81 -0.60 -1.48 114.58 117.83 1oae h GLU 6 Ca 0.10 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1oae h GLU 6 Cb -0.03 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1oae h GLU 6 CO -0.03 0.49 0.22 0.87 -0.73 0.00 0.00 179.01 179.84 1oae h LYS 7 N 0.77 0.82 -0.30 1.92 1.57 -1.03 -2.52 116.57 117.80 1oae h LYS 7 Ca 0.30 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1oae h LYS 7 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1oae h LYS 7 CO -0.15 0.67 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.14 1oae h LEU 8 N 0.81 0.54 -0.35 2.94 3.38 -0.98 -1.55 115.31 120.10 1oae h LEU 8 Ca 0.19 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1oae h LEU 8 Cb 0.16 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1oae h LEU 8 CO -0.02 0.74 -0.19 0.58 0.09 0.00 0.00 178.44 179.65 1oae h VAL 9 N 0.49 0.45 -0.24 1.22 2.07 -0.85 -0.53 116.25 118.87 1oae h VAL 9 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1oae h VAL 9 Cb 0.61 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1oae h VAL 9 CO 0.04 0.00 0.10 1.88 0.02 0.00 0.00 177.57 179.61 1oae h TYR 10 N -0.14 0.19 -0.11 1.57 -1.99 -1.24 -0.07 116.97 115.18 1oae h TYR 10 Ca 0.18 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.95 1oae h TYR 10 Cb 0.41 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 39.05 1oae h TYR 10 CO -0.40 0.10 -0.11 -0.22 -0.00 0.00 0.00 178.16 177.52 1oae h LYS 11 N 0.22 -0.14 -0.20 4.88 3.64 -1.02 -1.27 116.57 122.69 1oae h LYS 11 Ca 0.10 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 1oae h LYS 11 Cb 0.05 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1oae h LYS 11 CO -0.09 -0.09 -0.46 1.88 -2.27 0.00 0.00 179.45 178.43 1oae h TYR 12 N -0.14 0.62 -0.54 1.91 0.05 -0.96 -1.97 116.97 115.94 1oae h TYR 12 Ca 0.08 -0.19 0.05 0.00 0.05 0.00 0.00 58.73 58.72 1oae h TYR 12 Cb 0.25 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.82 1oae h TYR 12 CO -0.23 0.88 0.28 1.15 -1.05 0.00 0.00 178.16 179.19 1oae h THR 13 N 0.41 0.95 -0.36 -2.88 2.02 -0.82 0.95 112.91 113.19 1oae h THR 13 Ca 0.03 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.86 1oae h THR 13 Cb 0.96 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1oae h THR 13 CO 0.08 0.10 -0.42 0.78 0.37 0.00 0.00 175.52 176.44 1oae h ASN 14 N 0.53 0.98 0.08 4.18 2.35 -0.87 0.36 115.58 123.19 1oae h ASN 14 Ca 0.24 -0.46 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1oae h ASN 14 Cb 0.15 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1oae h ASN 14 CO -0.17 1.26 -0.12 0.40 -1.65 0.00 0.00 177.43 177.15 1oae h ILE 15 N 0.74 0.72 -0.72 2.81 2.04 -1.21 -2.26 117.51 119.63 1oae h ILE 15 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1oae h ILE 15 Cb 1.01 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1oae h ILE 15 CO 0.10 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.69 1oae h ALA 16 N 0.66 0.96 -0.29 1.87 0.00 -0.55 -2.28 119.26 119.62 1oae h ALA 16 Ca 0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1oae h ALA 16 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1oae h ALA 16 CO -0.06 0.20 -0.27 1.25 0.00 0.00 0.00 179.25 180.37 1oae h HIS 17 N 0.85 0.66 -0.50 0.00 -0.00 -0.83 0.27 115.15 115.60 1oae h HIS 17 Ca 0.30 -0.15 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1oae h HIS 17 Cb 0.07 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.29 1oae h HIS 17 CO -0.05 0.79 0.30 1.03 -0.00 0.00 0.00 177.93 180.00 1oae h SER 18 N 0.51 0.48 0.91 3.26 0.87 -1.01 -3.07 113.55 115.50 1oae h SER 18 Ca 0.07 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 1oae h SER 18 Cb 0.72 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1oae h SER 18 CO 0.06 0.34 -0.51 0.00 -0.53 0.00 0.00 176.83 176.18 1oae h ALA 19 N 1.22 0.87 -1.85 6.23 0.00 -0.98 -3.41 119.26 121.34 1oae h ALA 19 Ca 0.20 -0.47 -0.41 0.00 0.00 0.00 0.00 54.91 54.23 1oae h ALA 19 Cb 0.02 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 17.43 1oae h ALA 19 CO -0.09 0.64 -0.78 1.21 0.00 0.00 0.00 179.25 180.24 1oae s ASN 20 N -6.56 0.41 0.53 0.00 2.47 0.92 -5.03 114.94 107.69 1oae s ASN 20 Ca 0.00 -2.42 0.26 0.00 0.42 0.00 0.00 52.86 51.13 1oae s ASN 20 Cb 0.11 0.49 1.42 0.00 -1.45 0.00 0.00 41.25 41.81 1oae s ASN 20 CO 0.73 -0.14 1.98 -0.65 -3.72 0.00 0.00 177.10 175.29 1oae h PRO 21 N 5.61 0.00 0.00 0.43 0.11 -1.76 -0.37 132.00 136.03 1oae h PRO 21 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1oae h PRO 21 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1oae h PRO 21 CO 0.23 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.69 1oae n MET 22 N -4.35 0.15 -2.90 1.05 2.81 -1.26 -4.57 117.12 108.05 1oae n MET 22 Ca 0.11 0.23 -0.42 0.00 -1.81 0.00 0.00 57.70 55.81 1oae n MET 22 Cb 0.67 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 31.42 1oae n MET 22 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1oae s TYR 23 N -3.12 3.21 -0.04 2.03 6.14 -0.15 -4.89 117.35 120.52 1oae s TYR 23 Ca 0.09 0.89 0.05 0.00 0.64 0.00 0.00 57.07 58.74 1oae s TYR 23 Cb 0.12 -3.26 -0.07 0.00 0.42 0.00 0.00 41.96 39.18 1oae s TYR 23 CO 0.48 -0.57 0.04 0.39 0.64 0.00 0.00 175.55 176.53 1oae n GLU 24 N 6.26 2.52 -3.62 4.97 1.02 -1.26 -4.15 120.64 126.37 1oae n GLU 24 Ca 0.05 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 1oae n GLU 24 Cb 0.48 -1.14 -0.07 0.00 -0.02 0.00 0.00 31.44 30.70 1oae n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1oae s ALA 25 N -2.18 -1.31 0.54 0.62 0.00 -1.26 -5.00 121.76 113.16 1oae s ALA 25 Ca -0.02 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 52.52 1oae s ALA 25 Cb 0.02 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1oae s ALA 25 CO 0.22 -0.36 1.37 -1.25 0.00 0.00 0.00 175.76 175.74 1oae s PRO 26 N -1.51 3.16 -0.28 0.00 0.04 -1.26 -5.01 135.00 130.14 1oae s PRO 26 Ca -0.11 2.27 -0.04 0.00 0.04 0.00 0.00 61.00 63.16 1oae s PRO 26 Cb -0.02 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1oae s PRO 26 CO 0.05 -1.18 0.01 0.45 0.04 0.00 0.00 177.00 176.37 1oae s SER 27 N -0.90 4.76 0.20 6.66 0.15 -1.26 -4.98 113.70 118.33 1oae s SER 27 Ca 0.71 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 56.45 1oae s SER 27 Cb -0.41 -1.77 0.15 0.00 -1.71 0.00 0.00 66.02 62.28 1oae s SER 27 CO 0.49 -0.18 1.60 0.40 1.20 0.00 0.00 173.24 176.75 1oae h ILE 28 N 6.06 1.27 -0.25 6.45 5.03 -1.94 -1.56 117.51 132.58 1oae h ILE 28 Ca -0.30 -1.40 0.05 0.00 -0.12 0.00 0.00 64.86 63.08 1oae h ILE 28 Cb 1.11 1.27 -0.04 0.00 -3.03 0.00 0.00 36.82 36.12 1oae h ILE 28 CO 0.58 0.47 -0.03 0.74 -0.68 0.00 0.00 178.15 179.22 1oae h THR 29 N 0.68 0.78 -0.29 -0.27 2.02 -1.93 -0.22 112.91 113.68 1oae h THR 29 Ca 0.08 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 1oae h THR 29 Cb 0.79 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1oae h THR 29 CO 0.07 0.01 -0.29 0.44 0.37 0.00 0.00 175.52 176.11 1oae h ASP 30 N 0.03 0.61 -0.73 4.18 3.45 -1.85 -1.07 116.42 121.05 1oae h ASP 30 Ca 0.12 -0.23 0.02 0.00 0.43 0.00 0.00 57.03 57.37 1oae h ASP 30 Cb 0.17 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.73 1oae h ASP 30 CO -0.23 0.87 0.47 1.23 -1.57 0.00 0.00 179.24 180.01 1oae h GLY 31 N 1.02 1.04 1.13 2.75 0.00 -0.99 -0.74 103.07 107.28 1oae h GLY 31 Ca 0.06 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1oae h GLY 31 CO 0.06 0.33 -0.12 1.70 0.00 0.00 0.00 176.54 178.51 1oae h LYS 32 N 0.93 1.01 -0.21 4.80 3.64 -0.75 -2.07 116.57 123.93 1oae h LYS 32 Ca 0.28 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1oae h LYS 32 Cb -0.04 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1oae h LYS 32 CO -0.09 1.06 0.11 0.82 -2.27 0.00 0.00 179.45 179.08 1oae h ILE 33 N 0.90 1.12 -0.58 2.00 2.04 -0.94 -1.84 117.51 120.21 1oae h ILE 33 Ca 0.14 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1oae h ILE 33 Cb 0.68 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 1oae h ILE 33 CO 0.05 0.12 0.30 0.15 0.00 0.00 0.00 178.15 178.77 1oae h PHE 34 N 0.22 0.54 -0.41 1.37 3.04 -1.07 0.33 116.94 120.96 1oae h PHE 34 Ca 0.07 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 1oae h PHE 34 Cb 0.10 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 1oae h PHE 34 CO -0.03 0.25 0.05 0.35 -2.02 0.00 0.00 178.31 176.91 1oae h PHE 35 N 0.56 0.64 0.00 0.41 3.57 -1.06 -3.23 116.94 117.83 1oae h PHE 35 Ca 0.26 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1oae h PHE 35 Cb 0.19 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1oae h PHE 35 CO -0.10 0.59 -1.15 0.09 -2.23 0.00 0.00 178.31 175.50 1oae n ASN 36 N -4.28 0.66 -4.75 0.41 3.02 -0.72 -2.21 115.26 107.38 1oae n ASN 36 Ca 0.02 -0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 53.65 1oae n ASN 36 Cb 0.23 1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 40.44 1oae n ASN 36 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1oae s ARG 37 N -3.16 4.26 -0.19 3.52 3.52 0.11 -4.86 118.95 122.15 1oae s ARG 37 Ca 0.04 2.31 -0.25 0.00 -0.13 0.00 0.00 55.73 57.70 1oae s ARG 37 Cb 0.15 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1oae s ARG 37 CO 0.84 -0.43 0.83 0.15 -0.81 0.00 0.00 175.30 175.89 1oae s LYS 38 N -0.39 4.26 0.42 5.12 1.02 -1.26 -4.33 119.74 124.59 1oae s LYS 38 Ca 0.59 1.00 0.07 0.00 0.02 0.00 0.00 55.97 57.65 1oae s LYS 38 Cb -0.42 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 1oae s LYS 38 CO 0.43 -0.40 0.24 -0.59 -0.92 0.00 0.00 175.35 174.12 1oae s PHE 39 N 2.40 2.55 -0.25 3.18 -0.12 0.26 -4.87 117.98 121.14 1oae s PHE 39 Ca 0.37 -0.59 -0.08 0.00 -0.05 0.00 0.00 56.93 56.59 1oae s PHE 39 Cb -0.16 -2.00 -0.03 0.00 -0.63 0.00 0.00 43.02 40.20 1oae s PHE 39 CO 0.10 0.07 0.08 0.21 -0.05 0.00 0.00 175.22 175.63 1oae s LYS 40 N -3.98 3.69 0.73 1.99 2.20 -1.26 -0.99 119.74 122.12 1oae s LYS 40 Ca 0.42 -0.46 -0.11 0.00 -0.36 0.00 0.00 55.97 55.46 1oae s LYS 40 Cb 0.02 -3.34 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1oae s LYS 40 CO 0.23 -0.16 1.08 0.95 -0.36 0.00 0.00 175.35 177.09 1oae s THR 41 N 1.56 3.64 0.30 3.43 -4.23 -0.43 -4.90 115.64 115.01 1oae s THR 41 Ca 0.06 0.53 0.05 0.00 -1.18 0.00 0.00 61.69 61.15 1oae s THR 41 Cb -0.15 -3.32 0.29 0.00 1.34 0.00 0.00 72.50 70.66 1oae s THR 41 CO 0.04 -0.70 1.74 -0.65 -0.54 0.00 0.00 174.62 174.51 1oae h PRO 42 N -0.83 0.56 0.00 3.99 0.11 -1.98 0.25 132.00 134.10 1oae h PRO 42 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1oae h PRO 42 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1oae h PRO 42 CO 0.59 0.37 0.00 0.66 -0.21 0.00 0.00 178.00 179.41 1oae h SER 43 N 0.57 0.00 0.00 -2.05 4.64 -2.03 -3.46 113.55 111.22 1oae h SER 43 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1oae h SER 43 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1oae h SER 43 CO -0.45 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.12 1oae n GLY 44 N -0.98 1.39 3.75 -0.77 0.00 0.88 -5.06 105.19 104.40 1oae n GLY 44 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1oae n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oae s LYS 45 N -0.82 4.48 0.23 1.61 2.47 -1.26 -4.70 119.74 121.75 1oae s LYS 45 Ca 0.00 1.98 -0.14 0.00 -1.56 0.00 0.00 55.97 56.25 1oae s LYS 45 Cb 0.00 -3.18 -0.08 0.00 -1.46 0.00 0.00 37.83 33.12 1oae s LYS 45 CO 0.00 -0.07 0.63 -1.21 0.16 0.00 0.00 175.35 174.86 1oae s GLU 46 N -0.90 3.98 0.21 4.03 2.02 -1.26 -1.31 118.70 125.46 1oae s GLU 46 Ca 0.50 0.54 -0.09 0.00 0.02 0.00 0.00 54.97 55.94 1oae s GLU 46 Cb -0.35 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 1oae s GLU 46 CO 0.42 0.33 0.34 0.00 0.02 0.00 0.00 175.26 176.38 1oae s ALA 47 N -1.71 0.12 0.08 5.21 0.00 -0.16 -4.93 121.76 120.36 1oae s ALA 47 Ca 0.46 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 1oae s ALA 47 Cb -0.13 1.06 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 1oae s ALA 47 CO 0.20 -0.73 0.18 0.00 0.00 0.00 0.00 175.76 175.40 1oae s ALA 48 N -4.03 -0.19 0.38 0.00 0.00 -1.26 0.92 121.76 117.57 1oae s ALA 48 Ca 0.24 -0.62 0.13 0.00 0.00 0.00 0.00 51.96 51.71 1oae s ALA 48 Cb 0.02 0.45 0.94 0.00 0.00 0.00 0.00 23.12 24.53 1oae s ALA 48 CO 0.06 -0.48 1.84 0.00 0.00 0.00 0.00 175.76 177.18 1oae h ALA 50 N 1.61 1.00 -0.94 0.00 0.00 -1.65 -1.36 119.26 117.93 1oae h ALA 50 Ca 0.49 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.44 1oae h ALA 50 Cb 0.99 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1oae h ALA 50 CO -0.23 0.00 0.61 0.77 0.00 0.00 0.00 179.25 180.40 1oae h SER 51 N 0.00 1.01 0.00 0.00 0.02 -1.30 -1.24 113.55 112.04 1oae h SER 51 Ca 0.00 -0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.61 1oae h SER 51 Cb 0.28 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 1oae h SER 51 CO 0.00 0.69 -2.25 0.00 -1.14 0.00 0.00 176.83 174.12 1oae n HIS 53 N -2.70 0.22 -1.14 0.00 8.25 -0.54 -0.44 115.22 118.88 1oae n HIS 53 Ca -0.30 -0.11 0.15 0.00 -0.26 0.00 0.00 57.72 57.20 1oae n HIS 53 Cb 1.08 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.15 1oae n HIS 53 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1oae n THR 54 N 0.75 0.00 1.92 1.59 -2.24 -0.47 -4.35 114.28 111.48 1oae n THR 54 Ca 0.17 0.24 0.07 0.00 -2.27 0.00 0.00 64.05 62.26 1oae n THR 54 Cb 0.45 -0.63 0.39 0.00 -2.10 0.00 0.00 70.33 68.44 1oae n THR 54 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1oae n ASN 55 N -3.78 0.15 -3.79 3.42 0.23 -1.26 -4.39 115.26 105.84 1oae n ASN 55 Ca -0.02 -1.60 -0.29 0.00 -0.53 0.00 0.00 54.58 52.14 1oae n ASN 55 Cb 0.53 -0.01 -0.16 0.00 -2.08 0.00 0.00 39.78 38.05 1oae n ASN 55 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1oae s ASN 56 N -1.42 3.48 0.33 0.53 3.04 -1.26 -5.02 114.94 114.63 1oae s ASN 56 Ca 0.21 -1.16 0.25 0.00 0.04 0.00 0.00 52.86 52.20 1oae s ASN 56 Cb 0.10 -0.82 1.17 0.00 -1.54 0.00 0.00 41.25 40.15 1oae s ASN 56 CO 0.16 -0.32 1.75 1.55 -3.04 0.00 0.00 177.10 177.20 1oae h PRO 57 N 8.12 0.00 0.00 0.43 0.13 -1.79 0.02 132.00 138.92 1oae h PRO 57 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1oae h PRO 57 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1oae h PRO 57 CO 0.40 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.17 1oae n ALA 58 N -1.82 1.75 -2.25 -0.56 0.00 -1.26 -1.04 120.51 115.33 1oae n ALA 58 Ca 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1oae n ALA 58 Cb 0.15 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.29 1oae n ALA 58 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oae s ASN 59 N -3.56 5.72 0.05 0.00 0.01 -0.01 -4.47 114.94 112.68 1oae s ASN 59 Ca 0.07 0.20 -0.31 0.00 -0.71 0.00 0.00 52.86 52.12 1oae s ASN 59 Cb 0.10 -1.38 -0.05 0.00 0.41 0.00 0.00 41.25 40.33 1oae s ASN 59 CO 0.35 -0.79 1.19 -0.69 -1.51 0.00 0.00 177.10 175.66 1oae s VAL 60 N -2.59 4.08 0.43 1.60 1.01 -1.26 -3.77 120.40 119.90 1oae s VAL 60 Ca 0.50 1.49 0.06 0.00 0.00 0.00 0.00 61.98 64.03 1oae s VAL 60 Cb -0.10 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.40 1oae s VAL 60 CO 0.38 0.11 0.60 0.61 0.00 0.00 0.00 175.10 176.79 1oae n GLY 61 N 3.21 1.75 3.24 4.51 0.00 0.70 -4.84 105.19 113.76 1oae n GLY 61 Ca 0.09 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 1oae n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oae s LYS 62 N -3.95 0.34 -0.16 1.61 2.20 0.42 -0.30 119.74 119.90 1oae s LYS 62 Ca 0.44 0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 56.63 1oae s LYS 62 Cb -0.03 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1oae s LYS 62 CO 0.28 -0.20 1.64 1.21 -0.36 0.00 0.00 175.35 177.92 1oae s ASN 63 N 1.93 6.47 0.39 1.43 3.04 0.07 -4.34 114.94 123.93 1oae s ASN 63 Ca -0.06 1.84 0.28 0.00 0.04 0.00 0.00 52.86 54.96 1oae s ASN 63 Cb -0.10 -2.53 1.34 0.00 -1.54 0.00 0.00 41.25 38.41 1oae s ASN 63 CO -0.12 -1.15 1.85 0.16 -3.04 0.00 0.00 177.10 174.79 1oae h ILE 64 N 5.96 0.00 0.11 -5.21 3.07 -1.90 0.16 117.51 119.70 1oae h ILE 64 Ca -0.36 -0.17 -0.32 0.00 1.55 0.00 0.00 64.86 65.56 1oae h ILE 64 Cb 1.16 0.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.61 1oae h ILE 64 CO 0.98 0.00 -1.69 0.58 -1.05 0.00 0.00 178.15 176.98 1oae h VAL 65 N 0.00 0.96 0.00 0.16 2.07 -1.98 -3.40 116.25 114.07 1oae h VAL 65 Ca 0.00 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.87 1oae h VAL 65 Cb 0.22 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1oae h VAL 65 CO 0.00 0.79 -0.54 0.35 0.02 0.00 0.00 177.57 178.19 1oae n THR 66 N -3.42 0.00 -0.81 2.57 -2.24 -1.11 -5.01 114.28 104.26 1oae n THR 66 Ca -0.21 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1oae n THR 66 Cb 1.05 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 1oae n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oae n GLY 67 N 1.30 0.55 3.74 3.38 0.00 0.54 -5.01 105.19 109.68 1oae n GLY 67 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1oae n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oae s LYS 68 N -0.46 4.70 0.62 1.61 2.20 -1.25 -4.72 119.74 122.44 1oae s LYS 68 Ca 0.00 1.53 -0.18 0.00 -0.36 0.00 0.00 55.97 56.96 1oae s LYS 68 Cb 0.00 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1oae s LYS 68 CO 0.00 0.23 1.20 -1.21 -0.36 0.00 0.00 175.35 175.21 1oae s GLU 69 N -0.33 2.82 -0.09 4.03 2.02 -1.26 -0.75 118.70 125.14 1oae s GLU 69 Ca 0.46 1.78 0.02 0.00 0.02 0.00 0.00 54.97 57.25 1oae s GLU 69 Cb -0.25 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.07 1oae s GLU 69 CO 0.32 -1.31 -0.13 0.42 0.02 0.00 0.00 175.26 174.57 1oae s ILE 70 N -1.72 1.29 0.71 -1.63 1.01 0.59 -4.83 121.20 116.62 1oae s ILE 70 Ca 0.76 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 60.71 1oae s ILE 70 Cb -0.29 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1oae s ILE 70 CO 0.36 0.40 0.99 -2.65 0.00 0.00 0.00 174.94 174.03 1oae n PRO 71 N 4.12 0.57 -1.60 2.79 -0.02 -1.26 -0.22 135.00 139.38 1oae n PRO 71 Ca -0.20 0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 61.16 1oae n PRO 71 Cb 0.51 -2.24 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1oae n PRO 71 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1oae n PRO 72 N -1.80 0.82 0.01 0.52 -0.02 -1.25 -4.60 135.00 128.69 1oae n PRO 72 Ca 0.13 0.32 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1oae n PRO 72 Cb 0.49 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.72 1oae n PRO 72 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1oae h LEU 73 N 0.38 0.00 -9.11 2.45 3.38 -1.31 -3.44 115.31 107.66 1oae h LEU 73 Ca -0.48 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.93 1oae h LEU 73 Cb 1.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1oae h LEU 73 CO 0.50 0.83 1.11 0.00 0.09 0.00 0.00 178.44 180.97 1oae s ALA 74 N -2.74 3.39 0.03 1.53 0.00 -0.90 -4.88 121.76 118.19 1oae s ALA 74 Ca -0.03 0.62 0.32 0.00 0.00 0.00 0.00 51.96 52.87 1oae s ALA 74 Cb 0.08 -3.81 1.46 0.00 0.00 0.00 0.00 23.12 20.85 1oae s ALA 74 CO 0.82 -1.75 1.95 -1.00 0.00 0.00 0.00 175.76 175.78 1oae h PRO 75 N 10.31 0.00 0.00 0.00 0.13 -1.80 -0.14 132.00 140.50 1oae h PRO 75 Ca -0.35 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.65 1oae h PRO 75 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1oae h PRO 75 CO 0.98 0.00 -0.62 -0.09 -0.23 0.00 0.00 178.00 178.04 1oae h ARG 76 N 0.00 0.00 0.09 0.86 9.65 -1.87 -3.21 114.38 119.90 1oae h ARG 76 Ca 0.00 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.57 1oae h ARG 76 Cb 0.31 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1oae h ARG 76 CO 0.00 0.62 -1.64 0.28 2.80 0.00 0.00 179.97 182.03 1oae h VAL 77 N 0.00 0.82 -3.52 0.20 2.07 -1.60 -3.42 116.25 110.80 1oae h VAL 77 Ca -0.01 -2.32 -0.68 0.00 0.82 0.00 0.00 66.70 64.51 1oae h VAL 77 Cb 1.19 2.49 -0.37 0.00 -1.52 0.00 0.00 31.29 33.08 1oae h VAL 77 CO 0.08 0.69 -0.53 0.21 0.02 0.00 0.00 177.57 178.04 1oae s ASN 78 N -7.00 5.02 0.00 0.57 3.84 -0.16 -4.95 114.94 112.26 1oae s ASN 78 Ca -0.23 -2.47 0.20 0.00 0.21 0.00 0.00 52.86 50.57 1oae s ASN 78 Cb 0.06 -1.77 0.88 0.00 -0.55 0.00 0.00 41.25 39.86 1oae s ASN 78 CO 0.72 -0.41 1.65 0.35 -2.79 0.00 0.00 177.10 176.62 1oae n THR 79 N 3.95 0.58 0.22 -5.21 -2.24 -1.21 -1.94 114.28 108.43 1oae n THR 79 Ca 0.03 0.15 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 1oae n THR 79 Cb 0.39 -0.80 0.41 0.00 -2.10 0.00 0.00 70.33 68.23 1oae n THR 79 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1oae h LYS 80 N 0.00 0.00 -6.69 -0.78 1.57 -1.93 -2.84 116.57 105.91 1oae h LYS 80 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1oae h LYS 80 Cb 0.34 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.71 1oae h LYS 80 CO 0.00 0.20 0.96 1.03 -0.57 0.00 0.00 179.45 181.06 1oae s ARG 81 N -3.51 4.14 -1.31 3.15 1.81 -0.82 -1.52 118.95 120.88 1oae s ARG 81 Ca 0.02 2.56 0.00 0.00 -1.72 0.00 0.00 55.73 56.58 1oae s ARG 81 Cb 0.09 -3.07 0.00 0.00 -0.45 0.00 0.00 34.95 31.52 1oae s ARG 81 CO 0.64 -0.69 0.00 1.19 -0.68 0.00 0.00 175.30 175.76 1oae n PHE 82 N 3.48 -0.30 -0.14 -0.53 3.01 -1.26 -0.37 117.46 121.35 1oae n PHE 82 Ca 0.13 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.48 1oae n PHE 82 Cb 0.36 -2.66 -0.02 0.00 -0.01 0.00 0.00 39.48 37.15 1oae n PHE 82 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1oae h THR 83 N 0.00 1.27 -3.55 4.37 2.02 -1.53 -3.07 112.91 112.42 1oae h THR 83 Ca -0.30 -1.15 -0.72 0.00 0.77 0.00 0.00 66.41 65.02 1oae h THR 83 Cb 1.05 1.20 -0.33 0.00 -1.74 0.00 0.00 68.15 68.33 1oae h THR 83 CO 0.39 0.39 -0.30 -0.62 0.37 0.00 0.00 175.52 175.74 1oae s ASP 84 N -6.34 5.58 0.39 4.18 -1.08 -1.26 -4.81 116.67 113.33 1oae s ASP 84 Ca -0.13 -2.61 0.06 0.00 -0.52 0.00 0.00 52.55 49.36 1oae s ASP 84 Cb 0.10 -1.94 0.80 0.00 -1.46 0.00 0.00 42.92 40.43 1oae s ASP 84 CO 0.81 -0.47 2.03 0.40 0.52 0.00 0.00 175.17 178.46 1oae h ILE 85 N 5.42 1.12 0.10 4.11 1.08 -1.98 0.22 117.51 127.59 1oae h ILE 85 Ca -0.03 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1oae h ILE 85 Cb 0.99 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1oae h ILE 85 CO 0.74 0.13 -0.05 0.44 -0.69 0.00 0.00 178.15 178.72 1oae h ASP 86 N 0.57 -0.12 -0.24 1.72 3.45 -1.95 -2.35 116.42 117.50 1oae h ASP 86 Ca 0.15 -0.16 0.04 0.00 0.43 0.00 0.00 57.03 57.49 1oae h ASP 86 Cb -0.01 0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 38.76 1oae h ASP 86 CO -0.03 0.09 0.01 0.50 -1.57 0.00 0.00 179.24 178.25 1oae h LYS 87 N -0.33 0.09 -0.78 3.56 1.63 -1.70 -2.61 116.57 116.44 1oae h LYS 87 Ca -0.01 -0.01 0.14 0.00 -0.85 0.00 0.00 60.65 59.92 1oae h LYS 87 Cb 0.27 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 31.79 1oae h LYS 87 CO 0.02 0.06 0.36 -0.24 -3.45 0.00 0.00 179.45 176.20 1oae h VAL 88 N 0.10 0.70 -0.67 2.00 3.04 -1.00 0.10 116.25 120.53 1oae h VAL 88 Ca 0.12 -0.18 -0.06 0.00 -1.01 0.00 0.00 66.70 65.56 1oae h VAL 88 Cb 0.14 0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 29.52 1oae h VAL 88 CO -0.18 0.10 0.17 -0.33 -1.01 0.00 0.00 177.57 176.31 1oae h GLU 89 N 0.52 1.05 -0.00 4.17 5.08 -1.02 -0.08 114.58 124.29 1oae h GLU 89 Ca 0.43 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1oae h GLU 89 Cb 0.61 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1oae h GLU 89 CO -0.37 0.92 -0.00 0.22 -1.00 0.00 0.00 179.01 178.78 1oae h ASP 90 N 1.00 0.00 -0.81 1.42 1.82 -1.37 -2.61 116.42 115.87 1oae h ASP 90 Ca 0.21 -0.46 0.07 0.00 -0.39 0.00 0.00 57.03 56.46 1oae h ASP 90 Cb 0.34 -0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.28 1oae h ASP 90 CO -0.00 0.47 0.48 -0.33 -1.61 0.00 0.00 179.24 178.25 1oae h GLU 91 N -0.46 0.83 -0.20 0.28 5.08 -0.56 -1.53 114.58 118.02 1oae h GLU 91 Ca 0.00 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 1oae h GLU 91 Cb 0.47 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1oae h GLU 91 CO 0.00 0.55 -0.66 0.35 -1.00 0.00 0.00 179.01 178.25 1oae h PHE 92 N 0.85 1.01 -0.04 4.33 3.57 -1.02 0.28 116.94 125.93 1oae h PHE 92 Ca 0.37 -0.40 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1oae h PHE 92 Cb 0.24 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1oae h PHE 92 CO -0.05 1.22 -0.04 1.15 -2.23 0.00 0.00 178.31 178.36 1oae h THR 93 N 0.56 0.88 -0.96 4.41 2.02 -1.29 0.07 112.91 118.61 1oae h THR 93 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1oae h THR 93 Cb 1.27 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 1oae h THR 93 CO 0.14 0.00 0.63 0.11 0.37 0.00 0.00 175.52 176.77 1oae h LYS 94 N -0.05 1.21 -0.22 6.66 1.57 -1.02 -1.82 116.57 122.89 1oae h LYS 94 Ca 0.03 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1oae h LYS 94 Cb 0.10 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1oae h LYS 94 CO -0.07 0.80 -0.15 0.45 -0.57 0.00 0.00 179.45 179.90 1oae h HIS 95 N 1.24 0.59 -0.70 -1.35 3.86 -0.15 -1.37 115.15 117.27 1oae h HIS 95 Ca 0.37 -0.16 0.13 0.00 -1.16 0.00 0.00 60.37 59.55 1oae h HIS 95 Cb -0.04 -0.13 -0.09 0.00 1.06 0.00 0.00 27.41 28.20 1oae h HIS 95 CO -0.00 0.81 0.23 0.00 0.86 0.00 0.00 177.93 179.83 1oae h ASN 97 N 0.37 0.44 0.04 0.00 2.35 -0.95 0.21 115.58 118.04 1oae h ASN 97 Ca 0.38 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1oae h ASN 97 Cb 0.57 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1oae h ASN 97 CO -0.41 0.31 -0.02 0.44 -1.65 0.00 0.00 177.43 176.10 1oae h ASP 98 N 0.55 -0.04 -0.03 5.81 3.45 -0.71 0.87 116.42 126.32 1oae h ASP 98 Ca 0.19 -0.18 -0.17 0.00 0.43 0.00 0.00 57.03 57.30 1oae h ASP 98 Cb 0.04 0.01 0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1oae h ASP 98 CO -0.10 0.16 -0.65 0.40 -1.57 0.00 0.00 179.24 177.47 1oae h ILE 99 N -0.25 1.39 0.00 0.35 1.08 -0.80 -3.38 117.51 115.90 1oae h ILE 99 Ca -0.01 -2.04 0.00 0.00 -0.39 0.00 0.00 64.86 62.42 1oae h ILE 99 Cb 0.22 2.45 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 1oae h ILE 99 CO 0.01 0.61 -0.86 0.18 -0.69 0.00 0.00 178.15 177.40 1oae n LEU 100 N -4.16 0.47 0.00 1.44 4.77 0.72 -5.00 117.00 115.24 1oae n LEU 100 Ca -0.10 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1oae n LEU 100 Cb 0.69 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1oae n LEU 100 CO 0.48 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1oae n GLY 101 N 1.41 1.34 3.62 -0.72 0.00 0.30 -5.01 105.19 106.13 1oae n GLY 101 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1oae n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oae s ALA 102 N -2.83 -1.16 0.75 4.61 0.00 -1.24 -4.89 121.76 116.99 1oae s ALA 102 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 1oae s ALA 102 Cb 0.00 0.87 0.05 0.00 0.00 0.00 0.00 23.12 24.04 1oae s ALA 102 CO 0.00 -0.88 1.20 0.34 0.00 0.00 0.00 175.76 176.41 1oae s ASP 103 N -2.87 4.11 0.56 0.00 -1.08 -1.26 -3.13 116.67 112.99 1oae s ASP 103 Ca 0.09 2.32 -0.17 0.00 -0.52 0.00 0.00 52.55 54.26 1oae s ASP 103 Cb -0.03 -2.58 -0.05 0.00 -1.46 0.00 0.00 42.92 38.80 1oae s ASP 103 CO -0.01 -2.32 1.05 0.00 0.52 0.00 0.00 175.17 174.41 1oae s SER 105 N -2.52 6.17 0.28 0.00 1.04 -1.26 -4.86 113.70 112.55 1oae s SER 105 Ca 0.65 1.37 0.01 0.00 0.48 0.00 0.00 55.95 58.45 1oae s SER 105 Cb -0.16 -2.41 0.52 0.00 0.10 0.00 0.00 66.02 64.07 1oae s SER 105 CO 0.31 -0.89 1.86 -0.65 0.98 0.00 0.00 173.24 174.85 1oae h PRO 106 N -0.32 1.01 -0.23 4.02 0.11 -1.96 -1.06 132.00 133.56 1oae h PRO 106 Ca -0.44 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1oae h PRO 106 Cb 1.20 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1oae h PRO 106 CO 0.62 0.67 -0.36 0.66 -0.21 0.00 0.00 178.00 179.37 1oae h SER 107 N 1.04 0.54 -0.77 -2.05 4.64 -1.92 -1.27 113.55 113.75 1oae h SER 107 Ca 0.47 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.57 1oae h SER 107 Cb 0.38 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 1oae h SER 107 CO -0.22 0.86 0.50 -0.33 -0.87 0.00 0.00 176.83 176.77 1oae h GLU 108 N 0.44 1.03 -0.15 4.77 5.08 -1.69 -1.41 114.58 122.65 1oae h GLU 108 Ca 0.05 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1oae h GLU 108 Cb 0.84 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1oae h GLU 108 CO 0.07 0.69 -0.47 0.87 -1.00 0.00 0.00 179.01 179.17 1oae h LYS 109 N 1.05 0.57 -0.09 2.33 1.57 -0.75 -0.17 116.57 121.09 1oae h LYS 109 Ca 0.28 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1oae h LYS 109 Cb -0.10 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1oae h LYS 109 CO -0.06 1.04 0.05 0.00 -0.57 0.00 0.00 179.45 179.91 1oae h ALA 110 N 0.53 0.11 -0.56 3.86 0.00 -1.19 -0.50 119.26 121.51 1oae h ALA 110 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1oae h ALA 110 Cb 1.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1oae h ALA 110 CO 0.10 -0.35 0.36 -0.91 0.00 0.00 0.00 179.25 178.45 1oae h ASN 111 N 0.05 0.62 -0.14 0.00 2.35 -1.26 -1.07 115.58 116.13 1oae h ASN 111 Ca 0.03 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1oae h ASN 111 Cb 0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1oae h ASN 111 CO -0.01 0.44 0.01 0.15 -1.65 0.00 0.00 177.43 176.38 1oae h PHE 112 N 0.73 0.27 -0.30 1.19 3.04 -0.81 -0.83 116.94 120.23 1oae h PHE 112 Ca 0.21 -0.04 -0.10 0.00 3.98 0.00 0.00 57.97 62.02 1oae h PHE 112 Cb -0.06 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1oae h PHE 112 CO -0.04 0.46 -0.24 0.82 -2.02 0.00 0.00 178.31 177.29 1oae h ILE 113 N -0.00 1.27 -0.73 1.41 2.04 -1.10 -0.00 117.51 120.39 1oae h ILE 113 Ca 0.04 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.63 1oae h ILE 113 Cb 0.35 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1oae h ILE 113 CO 0.01 0.42 0.47 0.00 0.00 0.00 0.00 178.15 179.05 1oae h ALA 114 N 1.23 0.94 -0.46 1.87 0.00 -1.10 -1.47 119.26 120.27 1oae h ALA 114 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1oae h ALA 114 Cb 0.69 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1oae h ALA 114 CO 0.05 0.29 0.18 -0.92 0.00 0.00 0.00 179.25 178.85 1oae h TYR 115 N 0.94 0.70 -0.96 0.00 3.20 -0.19 -2.26 116.97 118.40 1oae h TYR 115 Ca 0.28 -0.06 0.13 0.00 3.14 0.00 0.00 58.73 62.22 1oae h TYR 115 Cb -0.04 -0.21 -0.08 0.00 1.54 0.00 0.00 36.73 37.94 1oae h TYR 115 CO -0.03 0.60 0.61 -0.07 -1.64 0.00 0.00 178.16 177.63 1oae h LEU 116 N 0.60 0.83 -1.63 2.82 3.38 -0.26 -0.17 115.31 120.87 1oae h LEU 116 Ca 0.15 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1oae h LEU 116 Cb 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1oae h LEU 116 CO -0.01 0.43 0.00 -0.07 0.09 0.00 0.00 178.44 178.88 1oae h LEU 117 N 0.88 0.00 0.00 1.67 3.38 -0.68 -2.08 115.31 118.49 1oae h LEU 117 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1oae h LEU 117 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1oae h LEU 117 CO -0.24 0.00 -0.76 0.35 0.09 0.00 0.00 178.44 177.87 1oae n THR 118 N -2.60 0.19 -3.22 0.22 -2.24 -0.08 -4.71 114.28 101.83 1oae n THR 118 Ca -0.01 -0.19 -0.46 0.00 -2.27 0.00 0.00 64.05 61.12 1oae n THR 118 Cb 0.14 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.47 1oae n THR 118 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1oae s GLU 119 N -3.14 3.68 0.00 -0.78 0.41 -0.78 -4.79 118.70 113.30 1oae s GLU 119 Ca 0.06 -2.37 0.16 0.00 -0.41 0.00 0.00 54.97 52.41 1oae s GLU 119 Cb 0.15 -4.58 0.14 0.00 -1.78 0.00 0.00 34.13 28.06 1oae s GLU 119 CO 0.75 -1.42 1.03 0.25 -0.49 0.00 0.00 175.26 175.38 1oae n THR 120 N 4.24 0.04 -3.98 3.63 -2.24 -1.26 -4.49 114.28 110.22 1oae n THR 120 Ca 0.18 -0.52 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 1oae n THR 120 Cb 0.47 1.30 -0.16 0.00 -2.10 0.00 0.00 70.33 69.84 1oae n THR 120 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1oae s LYS 121 N -1.34 1.90 0.40 -0.78 -0.14 -1.26 -4.74 119.74 113.78 1oae s LYS 121 Ca 0.20 -0.90 -0.26 0.00 -1.36 0.00 0.00 55.97 53.65 1oae s LYS 121 Cb 0.14 -2.47 -0.11 0.00 -1.68 0.00 0.00 37.83 33.71 1oae s LYS 121 CO 0.20 -0.48 1.20 -2.30 -0.76 0.00 0.00 175.35 173.21 1oae n PRO 122 N 4.67 1.81 -2.40 -1.68 -0.02 -1.26 -4.78 135.00 131.34 1oae n PRO 122 Ca -0.14 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 1oae n PRO 122 Cb 0.46 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1oae n PRO 122 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1oae s THR 123 N -1.19 3.72 -1.71 3.45 2.01 -1.26 -5.03 115.64 115.64 1oae s THR 123 Ca 0.60 1.38 0.14 0.00 0.31 0.00 0.00 61.69 64.12 1oae s THR 123 Cb -0.54 -3.88 0.11 0.00 0.01 0.00 0.00 72.50 68.19 1oae s THR 123 CO 0.59 0.19 0.93 0.29 -0.69 0.00 0.00 174.62 175.93