#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 1.25 -0.18 2.12 2.07 -1.84 -2.21 116.25 117.47 1oae h VAL 2 Ca 0.00 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 1oae h VAL 2 Cb 0.00 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1oae h VAL 2 CO 0.00 0.35 -0.31 0.71 0.02 0.00 0.00 177.57 178.34 1oae h THR 3 N 0.84 1.28 -0.43 2.57 1.35 -1.97 -1.36 112.91 115.18 1oae h THR 3 Ca 0.17 -1.34 -0.07 0.00 -0.55 0.00 0.00 66.41 64.63 1oae h THR 3 Cb 0.40 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 1oae h THR 3 CO 0.01 0.41 0.01 0.78 -0.25 0.00 0.00 175.52 176.49 1oae h ASN 4 N 0.32 0.73 -0.79 5.36 2.35 -1.82 -2.30 115.58 119.45 1oae h ASN 4 Ca 0.04 -0.30 0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1oae h ASN 4 Cb 0.71 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.81 1oae h ASN 4 CO 0.05 0.85 0.43 0.00 -1.65 0.00 0.00 177.43 177.12 1oae h ALA 5 N 0.91 1.11 -0.76 -0.83 0.00 -0.81 -1.87 119.26 117.01 1oae h ALA 5 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1oae h ALA 5 Cb 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1oae h ALA 5 CO 0.02 0.04 0.46 1.49 0.00 0.00 0.00 179.25 181.25 1oae h GLU 6 N 0.71 1.03 -0.38 0.00 4.81 -1.02 -1.26 114.58 118.47 1oae h GLU 6 Ca 0.38 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 1oae h GLU 6 Cb 0.38 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1oae h GLU 6 CO -0.26 0.73 -0.10 0.87 -0.73 0.00 0.00 179.01 179.52 1oae h LYS 7 N 1.04 0.66 -0.30 1.92 1.57 -0.89 -1.33 116.57 119.23 1oae h LYS 7 Ca 0.27 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1oae h LYS 7 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1oae h LYS 7 CO -0.05 0.74 0.19 -0.07 -0.57 0.00 0.00 179.45 179.69 1oae h LEU 8 N 0.60 0.36 -0.67 2.94 3.38 -0.81 0.14 115.31 121.24 1oae h LEU 8 Ca 0.11 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1oae h LEU 8 Cb 0.52 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1oae h LEU 8 CO 0.03 0.28 0.38 0.58 0.09 0.00 0.00 178.44 179.80 1oae h VAL 9 N 0.40 0.99 -0.28 1.22 2.07 -0.63 -0.19 116.25 119.83 1oae h VAL 9 Ca 0.11 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1oae h VAL 9 Cb -0.02 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 1oae h VAL 9 CO -0.02 0.13 0.12 0.22 0.02 0.00 0.00 177.57 178.04 1oae h TYR 10 N 0.71 0.23 -0.23 1.57 3.20 -0.97 0.27 116.97 121.75 1oae h TYR 10 Ca 0.29 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1oae h TYR 10 Cb 0.16 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1oae h TYR 10 CO -0.07 0.12 0.12 -0.22 -1.64 0.00 0.00 178.16 176.47 1oae h LYS 11 N 0.27 0.32 -0.19 1.82 3.64 -0.46 -2.07 116.57 119.91 1oae h LYS 11 Ca 0.12 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1oae h LYS 11 Cb 0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1oae h LYS 11 CO -0.10 0.31 -0.31 1.88 -2.27 0.00 0.00 179.45 178.96 1oae h TYR 12 N 0.26 0.43 -0.33 1.91 0.05 -0.85 -1.51 116.97 116.93 1oae h TYR 12 Ca 0.08 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.78 1oae h TYR 12 Cb 0.08 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 1oae h TYR 12 CO -0.03 0.65 0.17 1.15 -1.05 0.00 0.00 178.16 179.05 1oae h THR 13 N 0.33 1.00 -0.42 -2.88 2.02 -0.19 0.14 112.91 112.91 1oae h THR 13 Ca 0.04 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1oae h THR 13 Cb 0.71 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1oae h THR 13 CO 0.05 0.07 0.09 0.78 0.37 0.00 0.00 175.52 176.88 1oae h ASN 14 N 0.36 0.64 0.20 4.18 2.35 -1.08 0.45 115.58 122.68 1oae h ASN 14 Ca 0.14 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1oae h ASN 14 Cb 0.04 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1oae h ASN 14 CO -0.09 0.72 -0.30 0.40 -1.65 0.00 0.00 177.43 176.51 1oae h ILE 15 N 0.54 0.36 -1.00 2.81 2.04 -1.17 -2.18 117.51 118.91 1oae h ILE 15 Ca 0.13 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.13 1oae h ILE 15 Cb 0.33 0.36 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 1oae h ILE 15 CO 0.00 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.78 1oae h ALA 16 N 0.06 1.58 -0.71 1.87 0.00 -0.47 -2.52 119.26 119.06 1oae h ALA 16 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1oae h ALA 16 Cb 0.56 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1oae h ALA 16 CO -0.13 0.14 0.39 1.25 0.00 0.00 0.00 179.25 180.90 1oae h HIS 17 N 0.92 0.96 0.39 0.00 -0.00 0.46 -1.50 115.15 116.37 1oae h HIS 17 Ca 0.52 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.85 1oae h HIS 17 Cb 0.61 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1oae h HIS 17 CO -0.00 0.67 -0.19 0.77 -0.00 0.00 0.00 177.93 179.17 1oae h SER 18 N 0.99 -0.46 -0.34 3.26 0.02 -0.95 -2.31 113.55 113.76 1oae h SER 18 Ca 0.25 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1oae h SER 18 Cb 0.02 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1oae h SER 18 CO -0.04 -0.33 0.17 0.00 -1.14 0.00 0.00 176.83 175.49 1oae h ALA 19 N 0.08 0.44 -3.21 3.77 0.00 -1.53 -3.39 119.26 115.43 1oae h ALA 19 Ca -0.05 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.14 1oae h ALA 19 Cb 0.41 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 17.67 1oae h ALA 19 CO 0.08 0.00 -0.72 1.21 0.00 0.00 0.00 179.25 179.81 1oae s ASN 20 N -5.70 4.04 0.37 0.00 2.47 -0.58 -5.00 114.94 110.54 1oae s ASN 20 Ca -0.13 -2.33 0.16 0.00 0.42 0.00 0.00 52.86 50.97 1oae s ASN 20 Cb 0.09 -1.17 1.04 0.00 -1.45 0.00 0.00 41.25 39.76 1oae s ASN 20 CO 0.73 -0.32 1.75 -0.65 -3.72 0.00 0.00 177.10 174.89 1oae h PRO 21 N 7.22 0.44 0.00 0.43 0.11 -1.62 0.84 132.00 139.41 1oae h PRO 21 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1oae h PRO 21 Cb 0.96 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1oae h PRO 21 CO 0.51 0.29 0.00 -1.33 -0.21 0.00 0.00 178.00 177.26 1oae n MET 22 N -4.72 0.14 -3.31 1.05 2.81 -1.26 -4.39 117.12 107.44 1oae n MET 22 Ca 0.26 0.19 -0.44 0.00 -1.81 0.00 0.00 57.70 55.91 1oae n MET 22 Cb 0.85 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.78 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 -2.66 3.17 -0.13 2.03 6.14 0.29 -4.88 117.35 121.32 1oae s TYR 23 Ca 0.11 -0.59 0.05 0.00 0.64 0.00 0.00 57.07 57.28 1oae s TYR 23 Cb 0.08 -3.09 -0.11 0.00 0.42 0.00 0.00 41.96 39.26 1oae s TYR 23 CO 0.20 -0.79 -0.06 0.39 0.64 0.00 0.00 175.55 175.93 1oae n GLU 24 N 5.58 1.14 -3.78 4.97 -0.58 -1.26 -4.25 120.64 122.46 1oae n GLU 24 Ca -0.09 0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.58 1oae n GLU 24 Cb 0.46 -1.29 -0.08 0.00 -0.57 0.00 0.00 31.44 29.95 1oae n GLU 24 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1oae s ALA 25 N -2.28 -0.63 0.46 0.62 0.00 -1.26 -5.01 121.76 113.66 1oae s ALA 25 Ca -0.14 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.64 1oae s ALA 25 Cb 0.04 0.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.29 1oae s ALA 25 CO 0.39 -0.33 1.41 -2.14 0.00 0.00 0.00 175.76 175.10 1oae s PRO 26 N -1.98 3.61 -0.31 0.00 0.02 -1.26 -5.00 135.00 130.08 1oae s PRO 26 Ca -0.09 2.38 -0.09 0.00 0.02 0.00 0.00 61.00 63.22 1oae s PRO 26 Cb -0.03 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.90 1oae s PRO 26 CO -0.00 -0.87 0.13 0.45 -0.33 0.00 0.00 177.00 176.38 1oae s SER 27 N -0.59 5.39 0.36 2.53 0.15 -1.26 -4.97 113.70 115.31 1oae s SER 27 Ca 0.63 -0.61 0.11 0.00 0.70 0.00 0.00 55.95 56.77 1oae s SER 27 Cb -0.43 -1.96 0.69 0.00 -1.71 0.00 0.00 66.02 62.61 1oae s SER 27 CO 0.55 -0.20 1.82 0.16 1.20 0.00 0.00 173.24 176.77 1oae h ILE 28 N 5.75 1.25 -0.46 6.45 3.07 -1.93 -1.06 117.51 130.59 1oae h ILE 28 Ca -0.32 -1.21 0.06 0.00 1.55 0.00 0.00 64.86 64.95 1oae h ILE 28 Cb 1.14 1.59 -0.06 0.00 -0.27 0.00 0.00 36.82 39.22 1oae h ILE 28 CO 0.61 0.35 0.14 0.74 -1.05 0.00 0.00 178.15 178.95 1oae h THR 29 N 0.08 0.82 -0.41 0.16 2.02 -1.93 -0.11 112.91 113.54 1oae h THR 29 Ca 0.01 -0.10 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 1oae h THR 29 Cb 0.63 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1oae h THR 29 CO 0.05 0.06 -0.29 0.44 0.37 0.00 0.00 175.52 176.15 1oae h ASP 30 N 0.30 0.96 -0.46 4.18 3.45 -1.83 -1.52 116.42 121.51 1oae h ASP 30 Ca 0.22 -0.43 0.02 0.00 0.43 0.00 0.00 57.03 57.27 1oae h ASP 30 Cb 0.24 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 1oae h ASP 30 CO -0.24 1.19 0.28 1.23 -1.57 0.00 0.00 179.24 180.13 1oae h GLY 31 N 0.74 0.65 1.01 2.75 0.00 -1.00 -1.37 103.07 105.86 1oae h GLY 31 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1oae h GLY 31 CO 0.08 0.19 0.42 1.70 0.00 0.00 0.00 176.54 178.93 1oae h LYS 32 N 0.57 1.03 -0.74 4.80 3.64 -0.90 -1.75 116.57 123.21 1oae h LYS 32 Ca 0.18 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1oae h LYS 32 Cb -0.01 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 1oae h LYS 32 CO -0.07 0.75 0.48 0.82 -2.27 0.00 0.00 179.45 179.16 1oae h ILE 33 N 1.02 1.15 -0.58 2.00 2.04 -1.06 -1.88 117.51 120.20 1oae h ILE 33 Ca 0.26 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1oae h ILE 33 Cb 0.01 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 1oae h ILE 33 CO -0.04 0.18 0.19 0.15 0.00 0.00 0.00 178.15 178.62 1oae h PHE 34 N 0.97 0.93 -0.08 1.37 3.04 -0.94 0.19 116.94 122.43 1oae h PHE 34 Ca 0.28 -0.09 -0.07 0.00 3.98 0.00 0.00 57.97 62.08 1oae h PHE 34 Cb -0.06 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.17 1oae h PHE 34 CO -0.03 0.77 -0.26 0.35 -2.02 0.00 0.00 178.31 177.12 1oae h PHE 35 N 0.82 0.15 -0.00 0.41 3.57 -0.94 -3.10 116.94 117.85 1oae h PHE 35 Ca 0.19 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1oae h PHE 35 Cb 0.27 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1oae h PHE 35 CO 0.02 0.40 -0.70 0.09 -2.23 0.00 0.00 178.31 175.88 1oae n ASN 36 N -4.18 1.22 -4.74 0.41 3.02 -0.74 -1.88 115.26 108.37 1oae n ASN 36 Ca -0.01 -1.11 -0.41 0.00 -0.03 0.00 0.00 54.58 53.01 1oae n ASN 36 Cb 0.35 0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 40.30 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 -2.55 4.43 0.15 3.52 3.52 0.63 -4.88 118.95 123.77 1oae s ARG 37 Ca 0.10 1.99 -0.30 0.00 -0.13 0.00 0.00 55.73 57.39 1oae s ARG 37 Cb 0.15 -3.21 -0.07 0.00 -1.56 0.00 0.00 34.95 30.26 1oae s ARG 37 CO 0.66 -0.18 1.09 0.15 -0.81 0.00 0.00 175.30 176.22 1oae s LYS 38 N -0.28 4.58 0.14 5.12 -0.14 -1.26 -4.42 119.74 123.49 1oae s LYS 38 Ca 0.54 1.69 0.06 0.00 -1.36 0.00 0.00 55.97 56.90 1oae s LYS 38 Cb -0.35 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.46 1oae s LYS 38 CO 0.38 0.04 -0.12 -0.59 -0.76 0.00 0.00 175.35 174.30 1oae s PHE 39 N -0.00 1.38 -0.25 3.18 -0.12 0.48 -4.92 117.98 117.73 1oae s PHE 39 Ca 0.50 -0.64 -0.12 0.00 -0.05 0.00 0.00 56.93 56.63 1oae s PHE 39 Cb -0.28 -0.70 -0.05 0.00 -0.63 0.00 0.00 43.02 41.36 1oae s PHE 39 CO 0.33 0.15 0.22 0.21 -0.05 0.00 0.00 175.22 176.08 1oae s LYS 40 N -3.23 4.05 0.65 1.99 2.20 -1.26 -0.89 119.74 123.25 1oae s LYS 40 Ca 0.14 -0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 55.48 1oae s LYS 40 Cb -0.01 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1oae s LYS 40 CO 0.03 -0.05 0.99 0.95 -0.36 0.00 0.00 175.35 176.91 1oae s THR 41 N 1.37 3.38 0.36 3.43 -4.23 -0.10 -4.93 115.64 114.91 1oae s THR 41 Ca 0.10 0.14 0.09 0.00 -1.18 0.00 0.00 61.69 60.84 1oae s THR 41 Cb -0.15 -3.40 0.33 0.00 1.34 0.00 0.00 72.50 70.63 1oae s THR 41 CO 0.07 -0.45 1.86 -0.65 -0.54 0.00 0.00 174.62 174.91 1oae h PRO 42 N -0.43 0.65 0.00 3.99 0.11 -1.98 0.20 132.00 134.55 1oae h PRO 42 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1oae h PRO 42 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1oae h PRO 42 CO 0.62 0.43 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 1oae h SER 43 N 0.67 0.00 0.00 -2.05 4.64 -2.04 -3.46 113.55 111.31 1oae h SER 43 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1oae h SER 43 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1oae h SER 43 CO -0.22 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.35 1oae n GLY 44 N -0.81 2.30 3.77 -0.77 0.00 0.06 -5.08 105.19 104.67 1oae n GLY 44 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1oae n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oae s LYS 45 N -0.91 4.51 0.35 1.61 1.02 -1.26 -4.73 119.74 120.34 1oae s LYS 45 Ca 0.00 1.63 -0.16 0.00 0.02 0.00 0.00 55.97 57.45 1oae s LYS 45 Cb 0.00 -2.96 -0.09 0.00 -0.52 0.00 0.00 37.83 34.25 1oae s LYS 45 CO 0.00 0.15 0.79 -1.21 -0.92 0.00 0.00 175.35 174.16 1oae s GLU 46 N -1.79 4.06 0.26 1.68 0.41 -1.26 -0.92 118.70 121.13 1oae s GLU 46 Ca 0.49 0.78 -0.13 0.00 -0.41 0.00 0.00 54.97 55.70 1oae s GLU 46 Cb -0.27 -2.37 -0.00 0.00 -1.78 0.00 0.00 34.13 29.71 1oae s GLU 46 CO 0.34 0.11 0.49 0.00 -0.49 0.00 0.00 175.26 175.71 1oae s ALA 47 N -2.04 -0.24 0.13 5.21 0.00 -0.07 -4.93 121.76 119.83 1oae s ALA 47 Ca 0.56 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1oae s ALA 47 Cb -0.10 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.09 1oae s ALA 47 CO 0.16 -0.86 0.30 0.00 0.00 0.00 0.00 175.76 175.36 1oae s ALA 48 N -3.92 -0.39 0.28 0.00 0.00 -1.26 -0.39 121.76 116.08 1oae s ALA 48 Ca 0.22 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1oae s ALA 48 Cb -0.01 0.68 0.56 0.00 0.00 0.00 0.00 23.12 24.35 1oae s ALA 48 CO 0.10 -0.61 1.83 0.00 0.00 0.00 0.00 175.76 177.08 1oae h ALA 50 N 1.54 1.00 -0.99 0.00 0.00 -1.59 -1.65 119.26 117.58 1oae h ALA 50 Ca 0.50 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.54 1oae h ALA 50 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1oae h ALA 50 CO -0.27 0.00 0.62 0.77 0.00 0.00 0.00 179.25 180.37 1oae h SER 51 N 0.00 0.87 0.00 0.00 0.02 -1.26 -0.23 113.55 112.95 1oae h SER 51 Ca 0.00 0.05 -0.34 0.00 -0.84 0.00 0.00 61.79 60.66 1oae h SER 51 Cb 0.13 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 1oae h SER 51 CO 0.00 0.45 -2.28 0.00 -1.14 0.00 0.00 176.83 173.86 1oae n HIS 53 N -2.83 0.02 -1.15 0.00 8.25 -0.66 -0.29 115.22 118.56 1oae n HIS 53 Ca -0.33 -0.01 0.15 0.00 -0.26 0.00 0.00 57.72 57.27 1oae n HIS 53 Cb 1.05 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.11 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 0.27 0.00 1.93 1.59 -2.24 -0.10 -4.33 114.28 111.39 1oae n THR 54 Ca 0.18 0.34 0.03 0.00 -2.27 0.00 0.00 64.05 62.34 1oae n THR 54 Cb 0.37 -0.73 0.19 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.89 0.00 -3.65 3.42 0.23 -1.26 -4.40 115.26 105.71 1oae n ASN 55 Ca -0.03 -1.73 -0.29 0.00 -0.53 0.00 0.00 54.58 52.00 1oae n ASN 55 Cb 0.53 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.08 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 -1.24 3.70 0.00 0.53 3.04 -1.26 -5.02 114.94 114.70 1oae s ASN 56 Ca 0.10 -1.41 0.01 0.00 0.04 0.00 0.00 52.86 51.60 1oae s ASN 56 Cb 0.04 -0.61 0.06 0.00 -1.54 0.00 0.00 41.25 39.20 1oae s ASN 56 CO 0.07 -0.42 1.04 -0.81 -3.04 0.00 0.00 177.10 173.95 1oae n PRO 57 N 5.04 0.00 0.01 0.43 -0.04 -1.26 -0.14 135.00 139.04 1oae n PRO 57 Ca -0.04 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 1oae n PRO 57 Cb 0.43 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.94 1oae n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oae n ALA 58 N -1.49 2.48 -2.10 0.55 0.00 -1.26 -1.38 120.51 117.30 1oae n ALA 58 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 1oae n ALA 58 Cb 0.02 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.06 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 -3.15 5.99 0.13 0.00 0.02 0.80 -4.44 114.94 114.29 1oae s ASN 59 Ca 0.13 0.99 -0.31 0.00 -1.02 0.00 0.00 52.86 52.66 1oae s ASN 59 Cb 0.18 -2.11 -0.08 0.00 0.02 0.00 0.00 41.25 39.26 1oae s ASN 59 CO 0.56 -0.85 1.29 -0.69 0.02 0.00 0.00 177.10 177.43 1oae s VAL 60 N -2.96 3.50 0.00 1.60 1.01 -1.26 -3.69 120.40 118.60 1oae s VAL 60 Ca 0.52 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1oae s VAL 60 Cb -0.11 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1oae s VAL 60 CO 0.47 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1oae n GLY 61 N 2.94 1.82 3.38 4.51 0.00 0.44 -4.86 105.19 113.42 1oae n GLY 61 Ca 0.08 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 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 0.32 0.45 -0.25 1.61 2.20 0.60 -1.12 119.74 123.55 1oae s LYS 62 Ca 0.00 1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 56.35 1oae s LYS 62 Cb 0.00 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 1oae s LYS 62 CO 0.00 -0.19 1.79 1.21 -0.36 0.00 0.00 175.35 177.80 1oae s ASN 63 N 2.00 6.06 0.59 1.43 3.04 0.70 -4.46 114.94 124.30 1oae s ASN 63 Ca -0.07 1.58 0.29 0.00 0.04 0.00 0.00 52.86 54.71 1oae s ASN 63 Cb -0.09 -2.53 1.81 0.00 -1.54 0.00 0.00 41.25 38.90 1oae s ASN 63 CO -0.15 -1.52 2.25 0.16 -3.04 0.00 0.00 177.10 174.80 1oae h ILE 64 N 6.52 0.54 -0.02 -5.21 3.07 -1.89 0.26 117.51 120.78 1oae h ILE 64 Ca -0.36 -0.01 -0.05 0.00 1.55 0.00 0.00 64.86 66.00 1oae h ILE 64 Cb 1.18 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1oae h ILE 64 CO 1.00 0.00 -0.17 0.58 -1.05 0.00 0.00 178.15 178.51 1oae h VAL 65 N 0.00 1.52 0.00 0.16 2.07 -1.98 -3.39 116.25 114.63 1oae h VAL 65 Ca -0.00 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1oae h VAL 65 Cb 0.01 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1oae h VAL 65 CO 0.00 0.48 -1.28 0.35 0.02 0.00 0.00 177.57 177.15 1oae n THR 66 N -4.58 0.00 -0.94 2.57 -2.24 -1.09 -4.98 114.28 103.02 1oae n THR 66 Ca -0.09 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1oae n THR 66 Cb 0.44 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.48 0.74 3.76 3.38 0.00 0.88 -5.02 105.19 110.40 1oae n GLY 67 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.21 4.73 0.51 1.61 2.20 -1.25 -4.69 119.74 122.64 1oae s LYS 68 Ca 0.00 1.68 -0.21 0.00 -0.36 0.00 0.00 55.97 57.08 1oae s LYS 68 Cb 0.00 -3.23 -0.07 0.00 -1.51 0.00 0.00 37.83 33.03 1oae s LYS 68 CO 0.00 0.34 1.12 -1.21 -0.36 0.00 0.00 175.35 175.23 1oae s GLU 69 N -1.34 3.57 -0.11 4.03 2.02 -1.26 -0.21 118.70 125.40 1oae s GLU 69 Ca 0.43 1.60 0.03 0.00 0.02 0.00 0.00 54.97 57.05 1oae s GLU 69 Cb -0.30 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 31.80 1oae s GLU 69 CO 0.37 -0.66 -0.19 0.42 0.02 0.00 0.00 175.26 175.22 1oae s ILE 70 N -1.75 1.80 0.61 -1.63 1.01 -0.27 -4.82 121.20 116.15 1oae s ILE 70 Ca 0.69 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 1oae s ILE 70 Cb -0.23 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1oae s ILE 70 CO 0.27 0.50 1.06 -2.65 0.00 0.00 0.00 174.94 174.12 1oae n PRO 71 N 3.96 0.99 -1.37 2.79 -0.02 -1.26 -0.42 135.00 139.66 1oae n PRO 71 Ca -0.20 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.30 1oae n PRO 71 Cb 0.52 -2.27 0.07 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.20 0.49 0.01 0.52 -0.02 -1.24 -4.62 135.00 128.94 1oae n PRO 72 Ca 0.14 0.21 -0.04 0.00 -2.02 0.00 0.00 63.50 61.79 1oae n PRO 72 Cb 0.47 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.82 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 -0.15 0.00 -8.96 2.45 3.38 -1.45 -3.44 115.31 107.13 1oae h LEU 73 Ca -0.47 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.92 1oae h LEU 73 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1oae h LEU 73 CO 0.46 0.77 1.34 0.00 0.09 0.00 0.00 178.44 181.10 1oae s ALA 74 N -2.78 2.90 0.34 1.53 0.00 -0.49 -4.90 121.76 118.36 1oae s ALA 74 Ca -0.03 0.56 0.22 0.00 0.00 0.00 0.00 51.96 52.71 1oae s ALA 74 Cb 0.08 -4.01 1.11 0.00 0.00 0.00 0.00 23.12 20.31 1oae s ALA 74 CO 0.82 -2.56 1.94 -1.00 0.00 0.00 0.00 175.76 174.96 1oae h PRO 75 N 13.38 0.00 0.00 0.00 0.13 -1.76 0.37 132.00 144.11 1oae h PRO 75 Ca -0.38 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 1oae h PRO 75 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1oae h PRO 75 CO 0.99 0.22 -0.30 0.00 -0.23 0.00 0.00 178.00 178.69 1oae h ARG 76 N 0.00 0.00 0.04 0.86 3.08 -1.86 -3.15 114.38 113.35 1oae h ARG 76 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 1oae h ARG 76 Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1oae h ARG 76 CO 0.03 0.30 -1.27 0.28 -1.07 0.00 0.00 179.97 178.23 1oae h VAL 77 N 0.00 0.98 -3.53 2.04 2.07 -1.52 -3.43 116.25 112.86 1oae h VAL 77 Ca -0.00 -2.26 -0.68 0.00 0.82 0.00 0.00 66.70 64.57 1oae h VAL 77 Cb 0.74 2.47 -0.36 0.00 -1.52 0.00 0.00 31.29 32.62 1oae h VAL 77 CO 0.04 0.50 -0.56 0.21 0.02 0.00 0.00 177.57 177.78 1oae s ASN 78 N -6.86 5.08 0.00 0.57 2.47 0.12 -4.97 114.94 111.36 1oae s ASN 78 Ca -0.25 -2.28 0.28 0.00 0.42 0.00 0.00 52.86 51.03 1oae s ASN 78 Cb 0.05 -1.78 1.42 0.00 -1.45 0.00 0.00 41.25 39.48 1oae s ASN 78 CO 0.66 -0.46 1.96 0.35 -3.72 0.00 0.00 177.10 175.89 1oae n THR 79 N 4.21 0.09 0.36 -5.21 -2.24 -1.19 -2.26 114.28 108.04 1oae n THR 79 Ca 0.01 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1oae n THR 79 Cb 0.40 -0.56 0.27 0.00 -2.10 0.00 0.00 70.33 68.34 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 -6.91 -0.78 1.57 -1.93 -2.64 116.57 105.88 1oae h LYS 80 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1oae h LYS 80 Cb 0.26 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.64 1oae h LYS 80 CO 0.00 0.00 0.67 1.03 -0.57 0.00 0.00 179.45 180.58 1oae s ARG 81 N -3.19 4.23 -0.96 3.15 1.81 -0.96 -3.04 118.95 119.99 1oae s ARG 81 Ca 0.08 2.29 -0.03 0.00 -1.72 0.00 0.00 55.73 56.35 1oae s ARG 81 Cb 0.08 -2.99 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 1oae s ARG 81 CO 0.64 -0.32 0.82 1.19 -0.68 0.00 0.00 175.30 176.94 1oae n PHE 82 N 0.60 -1.89 -0.01 -0.53 3.01 -1.26 0.61 117.46 117.98 1oae n PHE 82 Ca 0.01 0.74 -0.16 0.00 1.01 0.00 0.00 57.45 59.04 1oae n PHE 82 Cb 0.41 -4.21 -0.10 0.00 -0.01 0.00 0.00 39.48 35.57 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 -1.71 1.41 -3.72 4.37 2.02 -1.86 -1.73 112.91 111.69 1oae h THR 83 Ca -0.44 -1.93 -0.65 0.00 0.77 0.00 0.00 66.41 64.16 1oae h THR 83 Cb 1.27 2.43 -0.38 0.00 -1.74 0.00 0.00 68.15 69.73 1oae h THR 83 CO 0.40 0.56 -0.77 -0.62 0.37 0.00 0.00 175.52 175.47 1oae s ASP 84 N -6.64 4.43 0.36 4.18 -1.08 -1.26 -4.83 116.67 111.82 1oae s ASP 84 Ca -0.13 -1.63 0.15 0.00 -0.52 0.00 0.00 52.55 50.42 1oae s ASP 84 Cb 0.04 -1.47 0.66 0.00 -1.46 0.00 0.00 42.92 40.69 1oae s ASP 84 CO 0.81 -0.28 1.75 0.16 0.52 0.00 0.00 175.17 178.13 1oae h ILE 85 N 6.68 1.12 -0.69 4.11 3.07 -1.95 -0.73 117.51 129.13 1oae h ILE 85 Ca -0.13 -1.55 0.00 0.00 1.55 0.00 0.00 64.86 64.73 1oae h ILE 85 Cb 1.04 1.88 -0.03 0.00 -0.27 0.00 0.00 36.82 39.43 1oae h ILE 85 CO 0.47 0.42 0.45 0.44 -1.05 0.00 0.00 178.15 178.88 1oae h ASP 86 N 0.00 0.80 -0.45 2.16 3.32 -1.99 0.24 116.42 120.50 1oae h ASP 86 Ca -0.00 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1oae h ASP 86 Cb 0.85 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1oae h ASP 86 CO 0.06 0.59 -0.02 0.50 -1.72 0.00 0.00 179.24 178.64 1oae h LYS 87 N 0.94 0.80 -0.73 3.56 3.64 -1.76 -2.86 116.57 120.16 1oae h LYS 87 Ca 0.25 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1oae h LYS 87 Cb -0.09 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1oae h LYS 87 CO -0.05 0.88 0.40 0.28 -2.27 0.00 0.00 179.45 178.69 1oae h VAL 88 N 0.64 1.22 -0.54 2.00 2.07 -0.78 -0.18 116.25 120.68 1oae h VAL 88 Ca 0.12 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1oae h VAL 88 Cb 0.53 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1oae h VAL 88 CO 0.03 0.24 0.27 -0.33 0.02 0.00 0.00 177.57 177.80 1oae h GLU 89 N 1.00 0.51 0.00 1.57 5.08 -0.81 0.15 114.58 122.09 1oae h GLU 89 Ca 0.26 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1oae h GLU 89 Cb 0.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1oae h GLU 89 CO -0.04 0.34 -0.00 0.22 -1.00 0.00 0.00 179.01 178.52 1oae h ASP 90 N 0.53 -0.00 -0.83 1.42 -0.00 -1.25 -2.64 116.42 113.64 1oae h ASP 90 Ca 0.24 -0.34 0.03 0.00 -0.00 0.00 0.00 57.03 56.96 1oae h ASP 90 Cb 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.43 1oae h ASP 90 CO -0.17 0.33 0.54 -0.33 -0.00 0.00 0.00 179.24 179.61 1oae h GLU 91 N -0.34 1.02 -0.22 0.28 5.08 -0.74 -1.59 114.58 118.07 1oae h GLU 91 Ca -0.00 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1oae h GLU 91 Cb 0.34 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1oae h GLU 91 CO 0.00 0.67 -0.40 0.35 -1.00 0.00 0.00 179.01 178.64 1oae h PHE 92 N 1.05 0.60 -0.19 4.33 3.57 -0.71 0.42 116.94 126.01 1oae h PHE 92 Ca 0.33 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1oae h PHE 92 Cb -0.00 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1oae h PHE 92 CO -0.02 0.82 0.03 1.15 -2.23 0.00 0.00 178.31 178.06 1oae h THR 93 N 0.42 1.22 -0.53 4.41 2.02 -1.10 0.23 112.91 119.57 1oae h THR 93 Ca 0.04 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1oae h THR 93 Cb 0.88 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1oae h THR 93 CO 0.07 0.22 0.22 0.11 0.37 0.00 0.00 175.52 176.52 1oae h LYS 94 N 0.10 0.79 -0.17 6.66 1.57 -1.00 -0.81 116.57 123.72 1oae h LYS 94 Ca 0.06 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1oae h LYS 94 Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1oae h LYS 94 CO 0.00 0.69 0.11 0.45 -0.57 0.00 0.00 179.45 180.13 1oae h HIS 95 N 0.72 0.22 -0.54 -1.35 3.86 0.02 0.38 115.15 118.47 1oae h HIS 95 Ca 0.18 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.50 1oae h HIS 95 Cb 0.18 -0.07 -0.09 0.00 1.06 0.00 0.00 27.41 28.49 1oae h HIS 95 CO 0.00 0.17 0.00 0.00 0.86 0.00 0.00 177.93 178.97 1oae h ASN 97 N 0.12 0.42 -0.18 0.00 2.35 -0.80 0.14 115.58 117.62 1oae h ASN 97 Ca 0.27 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1oae h ASN 97 Cb 0.42 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1oae h ASN 97 CO -0.45 0.30 0.07 0.44 -1.65 0.00 0.00 177.43 176.13 1oae h ASP 98 N 0.53 0.09 0.14 5.81 3.32 -0.33 0.48 116.42 126.47 1oae h ASP 98 Ca 0.19 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 57.00 1oae h ASP 98 Cb 0.04 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.62 1oae h ASP 98 CO -0.10 0.08 -1.10 0.40 -1.72 0.00 0.00 179.24 176.80 1oae h ILE 99 N 0.16 1.36 0.00 0.35 1.08 -0.81 -3.39 117.51 116.26 1oae h ILE 99 Ca 0.07 -2.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.07 1oae h ILE 99 Cb 0.04 2.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.67 1oae h ILE 99 CO -0.07 0.73 -1.07 0.18 -0.69 0.00 0.00 178.15 177.23 1oae n LEU 100 N -3.92 0.23 0.00 1.44 4.77 0.47 -5.01 117.00 114.98 1oae n LEU 100 Ca -0.14 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1oae n LEU 100 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1oae n LEU 100 CO 0.55 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1oae n GLY 101 N 1.59 0.83 3.72 -0.72 0.00 0.16 -5.00 105.19 105.77 1oae n GLY 101 Ca -0.00 0.00 -0.08 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 -2.37 -0.83 0.60 4.61 0.00 -1.25 -4.88 121.76 117.64 1oae s ALA 102 Ca 0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.28 1oae s ALA 102 Cb 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1oae s ALA 102 CO 0.00 -0.94 1.15 0.34 0.00 0.00 0.00 175.76 176.30 1oae s ASP 103 N -2.95 5.30 0.57 0.00 -1.08 -1.26 -3.03 116.67 114.23 1oae s ASP 103 Ca 0.15 2.18 -0.17 0.00 -0.52 0.00 0.00 52.55 54.19 1oae s ASP 103 Cb -0.03 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.81 1oae s ASP 103 CO 0.06 -1.51 1.08 0.00 0.52 0.00 0.00 175.17 175.33 1oae s SER 105 N -2.36 6.08 0.27 0.00 1.04 -1.26 -4.88 113.70 112.59 1oae s SER 105 Ca 0.67 1.48 -0.01 0.00 0.48 0.00 0.00 55.95 58.57 1oae s SER 105 Cb -0.19 -2.48 0.47 0.00 0.10 0.00 0.00 66.02 63.92 1oae s SER 105 CO 0.32 -0.97 1.86 -0.65 0.98 0.00 0.00 173.24 174.78 1oae h PRO 106 N -0.28 1.04 -0.64 4.02 0.11 -1.96 -1.85 132.00 132.45 1oae h PRO 106 Ca -0.44 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1oae h PRO 106 Cb 1.19 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1oae h PRO 106 CO 0.61 0.69 0.11 0.66 -0.21 0.00 0.00 178.00 179.86 1oae h SER 107 N 1.07 1.01 -0.76 -2.05 4.64 -1.93 -1.38 113.55 114.16 1oae h SER 107 Ca 0.46 -0.26 0.04 0.00 -0.47 0.00 0.00 61.79 61.56 1oae h SER 107 Cb 0.31 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 1oae h SER 107 CO -0.22 1.01 0.48 -0.33 -0.87 0.00 0.00 176.83 176.89 1oae h GLU 108 N 0.97 0.89 -0.48 4.77 5.08 -1.83 0.42 114.58 124.40 1oae h GLU 108 Ca 0.19 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1oae h GLU 108 Cb 0.42 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1oae h GLU 108 CO 0.01 0.59 -0.19 0.87 -1.00 0.00 0.00 179.01 179.29 1oae h LYS 109 N 0.92 0.98 -0.13 2.33 1.57 -0.90 0.87 116.57 122.21 1oae h LYS 109 Ca 0.31 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1oae h LYS 109 Cb 0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1oae h LYS 109 CO -0.12 1.09 -0.02 0.00 -0.57 0.00 0.00 179.45 179.82 1oae h ALA 110 N 0.87 0.18 -0.43 3.86 0.00 -1.13 -2.06 119.26 120.55 1oae h ALA 110 Ca 0.11 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1oae h ALA 110 Cb 0.77 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1oae h ALA 110 CO 0.06 -0.08 0.17 -0.91 0.00 0.00 0.00 179.25 178.50 1oae h ASN 111 N -0.05 0.21 -0.08 0.00 2.35 -0.83 -1.58 115.58 115.61 1oae h ASN 111 Ca 0.03 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1oae h ASN 111 Cb 0.43 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1oae h ASN 111 CO 0.01 0.16 -0.00 0.15 -1.65 0.00 0.00 177.43 176.10 1oae h PHE 112 N 0.36 0.15 -0.53 1.19 -0.00 -0.76 0.11 116.94 117.45 1oae h PHE 112 Ca 0.20 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.97 58.06 1oae h PHE 112 Cb 0.16 -0.04 -0.02 0.00 -0.00 0.00 0.00 35.95 36.05 1oae h PHE 112 CO -0.13 0.41 -0.00 0.82 -0.00 0.00 0.00 178.31 179.40 1oae h ILE 113 N -0.16 1.25 -0.25 1.41 2.04 -1.39 0.22 117.51 120.64 1oae h ILE 113 Ca 0.02 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.83 1oae h ILE 113 Cb 0.35 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1oae h ILE 113 CO 0.00 0.38 0.09 0.00 0.00 0.00 0.00 178.15 178.63 1oae h ALA 114 N 1.15 0.28 -0.33 1.87 0.00 -1.19 0.07 119.26 121.11 1oae h ALA 114 Ca 0.16 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1oae h ALA 114 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1oae h ALA 114 CO 0.02 -0.32 -0.03 -0.92 0.00 0.00 0.00 179.25 178.01 1oae h TYR 115 N 0.21 -0.07 -0.88 0.00 3.20 -0.16 -2.38 116.97 116.89 1oae h TYR 115 Ca 0.11 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.14 1oae h TYR 115 Cb 0.07 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.35 1oae h TYR 115 CO -0.12 -0.09 0.57 -0.07 -1.64 0.00 0.00 178.16 176.81 1oae h LEU 116 N 0.06 0.67 0.00 2.82 3.38 0.15 0.30 115.31 122.70 1oae h LEU 116 Ca 0.16 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1oae h LEU 116 Cb 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1oae h LEU 116 CO -0.29 0.36 0.00 0.18 0.09 0.00 0.00 178.44 178.78 1oae n LEU 117 N -4.55 0.00 -0.80 1.67 4.77 -0.06 -2.11 117.00 115.92 1oae n LEU 117 Ca 0.17 0.41 0.09 0.00 -0.03 0.00 0.00 56.01 56.65 1oae n LEU 117 Cb 0.43 -0.41 0.11 0.00 -2.33 0.00 0.00 43.42 41.22 1oae n LEU 117 CO 0.30 -0.23 0.57 0.35 -1.33 0.00 0.00 177.39 177.05 1oae n THR 118 N -1.41 0.15 -3.65 -5.08 -2.24 0.10 -4.92 114.28 97.24 1oae n THR 118 Ca 0.04 -0.58 -0.38 0.00 -2.27 0.00 0.00 64.05 60.87 1oae n THR 118 Cb 0.13 1.26 -0.12 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.48 3.56 0.00 -0.78 0.41 -0.90 -4.92 118.70 114.59 1oae s GLU 119 Ca 0.25 -0.57 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1oae s GLU 119 Cb 0.16 -3.56 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 1oae s GLU 119 CO 0.24 -0.32 0.19 0.25 -0.49 0.00 0.00 175.26 175.13 1oae n THR 120 N 5.00 0.00 -3.70 3.63 -2.24 -1.26 -4.56 114.28 111.15 1oae n THR 120 Ca -0.14 -0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.08 1oae n THR 120 Cb 0.50 1.29 -0.16 0.00 -2.10 0.00 0.00 70.33 69.86 1oae n THR 120 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1oae s LYS 121 N -0.18 0.52 0.23 -0.78 2.20 -1.26 -4.88 119.74 115.58 1oae s LYS 121 Ca 0.00 -0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 54.92 1oae s LYS 121 Cb 0.00 -2.02 -0.14 0.00 -1.51 0.00 0.00 37.83 34.15 1oae s LYS 121 CO 0.00 -0.67 1.32 -2.30 -0.36 0.00 0.00 175.35 173.34 1oae n PRO 122 N 5.10 1.76 -4.35 4.03 -0.02 -1.26 -4.83 135.00 135.42 1oae n PRO 122 Ca -0.08 0.63 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 1oae n PRO 122 Cb 0.47 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1oae n PRO 122 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1oae s THR 123 N -0.17 1.76 0.00 3.45 -1.32 -1.26 -5.03 115.64 113.07 1oae s THR 123 Ca 0.69 -1.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 1oae s THR 123 Cb -0.71 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.73 1oae s THR 123 CO 0.51 0.00 0.17 2.29 -2.21 0.00 0.00 174.62 175.38