#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aoz h LEU 2 N 0.00 0.75 -0.43 -4.53 5.85 -1.19 -1.87 115.31 113.89 2aoz h LEU 2 Ca 0.00 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.81 2aoz h LEU 2 Cb 0.00 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 2aoz h LEU 2 CO 0.00 0.49 0.00 0.22 -0.34 0.00 0.00 178.44 178.82 2aoz h TYR 3 N 0.89 -0.02 -0.26 1.25 5.03 -1.92 0.16 116.97 122.10 2aoz h TYR 3 Ca 0.33 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.66 2aoz h TYR 3 Cb 0.12 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 2aoz h TYR 3 CO -0.04 -0.09 0.13 1.96 -1.32 0.00 0.00 178.16 178.80 2aoz h GLN 4 N 0.11 0.36 -0.31 1.82 4.20 -1.86 -0.32 115.11 119.11 2aoz h GLN 4 Ca 0.21 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.93 2aoz h GLN 4 Cb 0.31 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2aoz h GLN 4 CO -0.35 0.34 -0.02 1.25 -0.67 0.00 0.00 178.83 179.38 2aoz h LEU 5 N 0.29 -0.16 -0.74 1.46 5.85 -0.87 -1.05 115.31 120.08 2aoz h LEU 5 Ca 0.09 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2aoz h LEU 5 Cb 0.09 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2aoz h LEU 5 CO -0.01 -0.05 0.19 -0.50 -0.34 0.00 0.00 178.44 177.73 2aoz h TRP 6 N 0.07 1.19 -0.74 1.25 4.06 -0.53 -1.87 115.95 119.37 2aoz h TRP 6 Ca 0.15 -0.14 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 2aoz h TRP 6 Cb 0.21 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 2aoz h TRP 6 CO -0.24 0.96 0.27 -0.22 -3.56 0.00 0.00 178.44 175.65 2aoz h LYS 7 N 1.09 1.13 -0.47 0.49 3.64 -0.72 -1.75 116.57 119.97 2aoz h LYS 7 Ca 0.23 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2aoz h LYS 7 Cb 0.36 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2aoz h LYS 7 CO -0.00 0.94 0.24 0.52 -2.27 0.00 0.00 179.45 178.88 2aoz h MET 8 N 1.08 0.67 -0.65 1.90 2.86 -0.80 0.16 114.93 120.15 2aoz h MET 8 Ca 0.24 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2aoz h MET 8 Cb 0.25 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2aoz h MET 8 CO -0.02 0.55 0.24 0.82 1.06 0.00 0.00 176.91 179.56 2aoz h ILE 9 N 0.62 1.24 -0.28 -1.22 2.04 -1.13 0.26 117.51 119.04 2aoz h ILE 9 Ca 0.16 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2aoz h ILE 9 Cb 0.09 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2aoz h ILE 9 CO -0.02 0.31 0.12 0.25 0.00 0.00 0.00 178.15 178.80 2aoz h LEU 10 N 0.92 0.38 -0.69 1.44 5.85 -1.19 0.44 115.31 122.47 2aoz h LEU 10 Ca 0.21 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2aoz h LEU 10 Cb 0.24 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2aoz h LEU 10 CO -0.01 0.42 0.44 1.56 -0.34 0.00 0.00 178.44 180.51 2aoz h GLN 11 N 0.31 0.91 0.09 1.25 4.20 -0.47 -0.23 115.11 121.17 2aoz h GLN 11 Ca 0.09 -0.06 -0.32 0.00 0.06 0.00 0.00 58.65 58.42 2aoz h GLN 11 Cb 0.16 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2aoz h GLN 11 CO -0.01 0.62 -1.71 0.93 -0.67 0.00 0.00 178.83 177.99 2aoz h GLU 12 N 0.93 0.19 0.00 1.46 4.39 -0.45 -3.39 114.58 117.71 2aoz h GLU 12 Ca 0.25 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2aoz h GLU 12 Cb -0.09 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2aoz h GLU 12 CO -0.05 0.98 -1.54 0.25 -1.16 0.00 0.00 179.01 177.49 2aoz n THR 13 N -3.35 0.00 -0.98 1.13 -2.24 0.14 -4.72 114.28 104.26 2aoz n THR 13 Ca -0.21 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2aoz n THR 13 Cb 1.05 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2aoz n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aoz n GLY 14 N 1.54 0.54 3.49 3.38 0.00 -0.10 -5.01 105.19 109.03 2aoz n GLY 14 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2aoz n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aoz s LYS 15 N -0.24 1.77 -0.08 1.61 0.00 -1.26 -5.01 119.74 116.53 2aoz s LYS 15 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 55.97 54.40 2aoz s LYS 15 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 37.83 35.73 2aoz s LYS 15 CO 0.00 0.45 1.45 -0.80 0.00 0.00 0.00 175.35 176.46 2aoz s ASN 16 N -2.38 6.81 0.19 0.03 0.01 -1.26 -3.56 114.94 114.78 2aoz s ASN 16 Ca 0.20 2.02 -0.10 0.00 -0.71 0.00 0.00 52.86 54.26 2aoz s ASN 16 Cb -0.10 -2.54 0.11 0.00 0.41 0.00 0.00 41.25 39.14 2aoz s ASN 16 CO 0.11 -0.81 1.75 0.00 -1.51 0.00 0.00 177.10 176.64 2aoz h ALA 17 N 8.62 0.90 0.22 0.60 0.00 -1.92 -2.05 119.26 125.63 2aoz h ALA 17 Ca -0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2aoz h ALA 17 Cb 1.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2aoz h ALA 17 CO 0.95 0.52 -0.27 0.00 0.00 0.00 0.00 179.25 180.44 2aoz h ALA 18 N 1.13 -0.92 -0.45 0.00 0.00 -1.94 -0.42 119.26 116.66 2aoz h ALA 18 Ca 0.23 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2aoz h ALA 18 Cb 0.21 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2aoz h ALA 18 CO -0.02 -0.95 0.02 -1.00 0.00 0.00 0.00 179.25 177.30 2aoz h PRO 19 N -0.50 0.71 0.00 0.00 0.13 -1.99 -1.23 132.00 129.12 2aoz h PRO 19 Ca -0.03 -0.17 -0.22 0.00 -0.87 0.00 0.00 66.00 64.71 2aoz h PRO 19 Cb 0.45 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.45 2aoz h PRO 19 CO -0.06 0.71 -1.31 0.77 -0.23 0.00 0.00 178.00 177.88 2aoz h SER 20 N 0.68 0.00 0.00 1.44 0.02 -1.35 -3.40 113.55 110.93 2aoz h SER 20 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2aoz h SER 20 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2aoz h SER 20 CO 0.01 0.83 0.00 -1.22 -1.14 0.00 0.00 176.83 175.31 2aoz n TYR 21 N -3.10 0.00 0.32 3.45 4.01 -0.23 -4.69 117.16 116.91 2aoz n TYR 21 Ca -0.09 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.81 2aoz n TYR 21 Cb 0.93 0.00 0.68 0.00 -0.31 0.00 0.00 39.34 40.65 2aoz n TYR 21 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2aoz h GLY 22 N 0.00 0.00 -0.85 2.72 0.00 -0.54 -2.98 103.07 101.41 2aoz h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aoz h GLY 22 CO 0.00 0.00 -0.42 0.69 0.00 0.00 0.00 176.54 176.81 2aoz n PHE 23 N -2.77 0.00 -2.72 5.60 3.01 -1.25 -1.19 117.46 118.14 2aoz n PHE 23 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 2aoz n PHE 23 Cb 0.24 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 2aoz n PHE 23 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2aoz s TYR 24 N 0.00 3.68 0.00 1.38 6.14 -1.00 -0.51 117.35 127.04 2aoz s TYR 24 Ca 0.00 1.71 0.00 0.00 0.64 0.00 0.00 57.07 59.42 2aoz s TYR 24 Cb 0.00 -3.11 0.00 0.00 0.42 0.00 0.00 41.96 39.27 2aoz s TYR 24 CO 0.00 0.03 0.00 0.41 0.64 0.00 0.00 175.55 176.63 2aoz n GLY 25 N 2.79 1.00 0.73 8.97 0.00 -0.59 -2.11 105.19 115.98 2aoz n GLY 25 Ca 0.05 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.55 2aoz n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aoz n ASN 27 N 0.76 0.00 -4.73 0.00 3.02 -1.25 -2.75 115.26 110.30 2aoz n ASN 27 Ca 0.16 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 2aoz n ASN 27 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 2aoz n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aoz n GLY 29 N 2.47 0.39 3.74 0.00 0.00 -1.13 -3.41 105.19 107.26 2aoz n GLY 29 Ca 0.05 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 2aoz n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aoz s VAL 30 N 0.00 2.67 0.00 1.61 -7.23 -0.33 -4.92 120.40 112.20 2aoz s VAL 30 Ca 0.00 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 2aoz s VAL 30 Cb 0.00 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2aoz s VAL 30 CO 0.00 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2aoz n GLY 31 N 0.04 -2.44 1.54 2.32 0.00 -1.26 -4.88 105.19 100.51 2aoz n GLY 31 Ca 0.12 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 2aoz n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2aoz n SER 32 N 0.06 0.48 -4.84 1.61 7.64 -1.26 -5.05 113.62 112.26 2aoz n SER 32 Ca 0.00 -1.42 -0.30 0.00 1.01 0.00 0.00 58.87 58.16 2aoz n SER 32 Cb 0.00 -0.27 0.09 0.00 -1.01 0.00 0.00 64.21 63.02 2aoz n SER 32 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2aoz s ARG 33 N -3.53 2.10 0.29 1.43 0.52 -1.26 -4.37 118.95 114.12 2aoz s ARG 33 Ca 0.27 0.45 -0.20 0.00 -0.52 0.00 0.00 55.73 55.72 2aoz s ARG 33 Cb -0.01 -1.94 0.03 0.00 0.52 0.00 0.00 34.95 33.55 2aoz s ARG 33 CO 0.18 -1.57 0.77 0.20 0.02 0.00 0.00 175.30 174.90 2aoz s GLY 34 N -4.14 -0.01 0.06 -3.53 0.00 -1.11 -4.29 107.32 94.30 2aoz s GLY 34 Ca 0.61 -0.36 -0.31 0.00 0.00 0.00 0.00 44.72 44.67 2aoz s GLY 34 CO 0.53 -0.06 1.72 0.54 0.00 0.00 0.00 173.10 175.82 2aoz s LYS 35 N -3.48 4.18 0.25 2.90 1.02 -0.31 -4.61 119.74 119.69 2aoz s LYS 35 Ca 0.12 2.39 -0.31 0.00 0.02 0.00 0.00 55.97 58.19 2aoz s LYS 35 Cb -0.05 -3.71 -0.12 0.00 -0.52 0.00 0.00 37.83 33.43 2aoz s LYS 35 CO 0.07 -0.79 1.66 -2.14 -0.92 0.00 0.00 175.35 173.23 2aoz s PRO 36 N 3.05 4.12 0.41 -1.68 0.02 -1.26 -4.70 135.00 134.96 2aoz s PRO 36 Ca 0.77 2.59 0.22 0.00 0.02 0.00 0.00 61.00 64.59 2aoz s PRO 36 Cb -0.40 -3.05 0.74 0.00 0.02 0.00 0.00 34.50 31.81 2aoz s PRO 36 CO 0.34 -0.69 1.75 0.87 -0.33 0.00 0.00 177.00 178.94 2aoz h LYS 37 N 5.85 0.00 0.00 5.54 1.79 -1.91 -3.48 116.57 124.35 2aoz h LYS 37 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2aoz h LYS 37 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2aoz h LYS 37 CO 0.88 0.29 0.00 -0.40 -1.08 0.00 0.00 179.45 179.14 2aoz n ASP 38 N -3.40 0.00 -0.02 0.86 3.85 -1.26 -5.01 116.55 111.56 2aoz n ASP 38 Ca 0.00 -0.20 -0.16 0.00 -0.71 0.00 0.00 54.79 53.72 2aoz n ASP 38 Cb 0.49 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.17 2aoz n ASP 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aoz h ALA 39 N 2.00 0.21 -0.41 2.12 0.00 -1.93 -1.36 119.26 119.89 2aoz h ALA 39 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.44 2aoz h ALA 39 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2aoz h ALA 39 CO 0.00 0.43 0.12 1.15 0.00 0.00 0.00 179.25 180.95 2aoz h THR 40 N 0.18 0.84 -1.00 0.00 2.02 -1.90 -1.88 112.91 111.16 2aoz h THR 40 Ca -0.04 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.08 2aoz h THR 40 Cb 1.20 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.11 2aoz h THR 40 CO 0.11 0.05 0.66 -0.78 0.37 0.00 0.00 175.52 175.93 2aoz h ASP 41 N 0.26 1.10 -0.87 4.18 3.58 -1.91 -2.58 116.42 120.18 2aoz h ASP 41 Ca 0.19 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 2aoz h ASP 41 Cb 0.20 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2aoz h ASP 41 CO -0.22 0.77 0.54 0.03 -2.88 0.00 0.00 179.24 177.48 2aoz h ARG 42 N 1.28 1.18 -0.97 0.28 -0.00 -0.46 -0.84 114.38 114.86 2aoz h ARG 42 Ca 0.39 -0.10 0.13 0.00 -0.50 0.00 0.00 59.98 59.90 2aoz h ARG 42 Cb -0.04 -0.25 -0.08 0.00 0.00 0.00 0.00 29.97 29.60 2aoz h ARG 42 CO -0.11 0.81 0.61 0.00 0.00 0.00 0.00 179.97 181.28 2aoz h PHE 45 N 0.01 0.24 -0.32 0.00 3.57 -0.55 -1.94 116.94 117.94 2aoz h PHE 45 Ca -0.01 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2aoz h PHE 45 Cb 1.45 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 2aoz h PHE 45 CO 0.00 0.29 0.03 0.28 -2.23 0.00 0.00 178.31 176.68 2aoz h VAL 46 N 0.11 1.25 -0.48 1.41 2.07 -1.33 -1.84 116.25 117.44 2aoz h VAL 46 Ca 0.05 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 66.76 2aoz h VAL 46 Cb 0.15 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 2aoz h VAL 46 CO -0.01 0.29 0.08 -0.74 0.02 0.00 0.00 177.57 177.22 2aoz h HIS 47 N 0.37 0.13 -0.16 1.57 -0.00 -1.36 0.29 115.15 115.99 2aoz h HIS 47 Ca 0.09 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.41 2aoz h HIS 47 Cb 0.40 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 2aoz h HIS 47 CO 0.03 -0.02 -0.28 0.87 -0.00 0.00 0.00 177.93 178.53 2aoz h LYS 48 N 0.21 0.31 -0.47 5.26 1.57 -1.22 -1.71 116.57 120.52 2aoz h LYS 48 Ca 0.24 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2aoz h LYS 48 Cb 0.32 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2aoz h LYS 48 CO -0.32 0.57 -0.06 0.00 -0.57 0.00 0.00 179.45 179.07 2aoz h TYR 51 N 0.41 0.00 0.00 0.00 0.99 -1.25 -2.70 116.97 114.42 2aoz h TYR 51 Ca 0.07 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 2aoz h TYR 51 Cb 0.52 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.25 2aoz h TYR 51 CO 0.02 0.00 -0.06 0.87 -0.00 0.00 0.00 178.16 178.99 2aoz h LYS 52 N 0.00 0.00 0.00 4.88 1.57 -1.22 -2.48 116.57 119.32 2aoz h LYS 52 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aoz h LYS 52 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2aoz h LYS 52 CO 0.00 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 2aoz n ALA 53 N -2.17 2.02 -2.66 3.86 0.00 -1.02 -4.64 120.51 115.91 2aoz n ALA 53 Ca -0.01 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 2aoz n ALA 53 Cb 0.22 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 2aoz n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2aoz s LEU 54 N -2.98 4.03 0.17 0.00 1.43 -0.94 -4.78 118.68 115.61 2aoz s LEU 54 Ca 0.11 -2.25 0.01 0.00 -1.03 0.00 0.00 54.13 50.97 2aoz s LEU 54 Cb 0.14 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.85 2aoz s LEU 54 CO 0.40 -1.18 1.40 0.71 0.23 0.00 0.00 176.35 177.90 2aoz h THR 55 N 5.77 1.45 -0.09 5.49 1.35 -1.88 -3.36 112.91 121.63 2aoz h THR 55 Ca 0.34 -2.43 -0.12 0.00 -0.55 0.00 0.00 66.41 63.65 2aoz h THR 55 Cb 0.92 2.34 -0.20 0.00 -1.73 0.00 0.00 68.15 69.48 2aoz h THR 55 CO 1.39 0.72 -0.76 0.47 -0.25 0.00 0.00 175.52 177.09 2aoz n ASP 56 N -3.73 1.72 -3.47 5.36 8.00 -1.26 -5.05 116.55 118.11 2aoz n ASP 56 Ca -0.04 -3.10 -0.14 0.00 0.71 0.00 0.00 54.79 52.22 2aoz n ASP 56 Cb 0.77 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 41.41 2aoz n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aoz s SER 58 N -2.23 4.82 0.64 0.00 0.15 -1.26 -4.87 113.70 110.95 2aoz s SER 58 Ca -0.03 -0.87 0.41 0.00 0.70 0.00 0.00 55.95 56.16 2aoz s SER 58 Cb -0.01 -1.78 2.24 0.00 -1.71 0.00 0.00 66.02 64.76 2aoz s SER 58 CO -0.05 -0.19 2.32 1.55 1.20 0.00 0.00 173.24 178.07 2aoz h PRO 59 N 8.13 0.00 0.17 5.44 0.13 -1.95 -0.62 132.00 143.29 2aoz h PRO 59 Ca -0.30 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.58 2aoz h PRO 59 Cb 1.11 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.27 2aoz h PRO 59 CO 0.58 0.00 -1.08 -0.22 -0.23 0.00 0.00 178.00 177.05 2aoz h LYS 60 N 0.00 0.44 0.00 0.86 3.64 -1.93 -3.03 116.57 116.55 2aoz h LYS 60 Ca -0.00 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 2aoz h LYS 60 Cb 0.06 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2aoz h LYS 60 CO 0.00 1.32 -0.77 0.25 -2.27 0.00 0.00 179.45 177.99 2aoz n THR 61 N -3.95 0.00 -3.06 1.00 -2.24 -0.98 -1.69 114.28 103.36 2aoz n THR 61 Ca -0.15 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 2aoz n THR 61 Cb 0.93 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 69.75 2aoz n THR 61 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2aoz s ASP 62 N -1.93 6.74 0.16 3.42 1.01 -0.28 -4.85 116.67 120.93 2aoz s ASP 62 Ca -0.00 0.90 -0.27 0.00 0.71 0.00 0.00 52.55 53.88 2aoz s ASP 62 Cb 0.02 -2.37 -0.07 0.00 1.01 0.00 0.00 42.92 41.50 2aoz s ASP 62 CO 0.11 -0.32 0.85 -0.55 0.21 0.00 0.00 175.17 175.47 2aoz s SER 63 N 1.22 7.45 0.40 0.27 0.15 -1.26 -0.24 113.70 121.69 2aoz s SER 63 Ca 0.31 1.71 0.07 0.00 0.70 0.00 0.00 55.95 58.74 2aoz s SER 63 Cb -0.16 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.54 2aoz s SER 63 CO 0.10 0.12 0.01 -0.72 1.20 0.00 0.00 173.24 173.95 2aoz s TYR 64 N -0.79 2.48 -0.09 3.44 -0.85 -1.26 -4.81 117.35 115.46 2aoz s TYR 64 Ca 0.39 -0.68 -0.01 0.00 -0.52 0.00 0.00 57.07 56.25 2aoz s TYR 64 Cb -0.23 -1.72 -0.03 0.00 0.38 0.00 0.00 41.96 40.35 2aoz s TYR 64 CO 0.28 0.43 -0.03 -1.54 -1.52 0.00 0.00 175.55 173.17 2aoz s SER 65 N -3.69 4.94 0.17 -0.18 1.04 -1.26 -4.89 113.70 109.83 2aoz s SER 65 Ca 0.35 0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.73 2aoz s SER 65 Cb 0.09 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.79 2aoz s SER 65 CO 0.18 0.33 0.28 -0.72 0.98 0.00 0.00 173.24 174.29 2aoz s TYR 66 N -0.62 0.47 0.18 5.02 1.13 -1.26 0.11 117.35 122.37 2aoz s TYR 66 Ca 0.10 -0.83 0.10 0.00 -1.41 0.00 0.00 57.07 55.03 2aoz s TYR 66 Cb -0.12 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.61 2aoz s TYR 66 CO 0.02 -0.73 -0.21 -1.54 -2.51 0.00 0.00 175.55 170.58 2aoz s SER 67 N -2.99 3.01 -0.51 -0.18 1.04 0.65 -4.86 113.70 109.87 2aoz s SER 67 Ca 0.20 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 55.80 2aoz s SER 67 Cb 0.03 -0.20 0.13 0.00 0.10 0.00 0.00 66.02 66.08 2aoz s SER 67 CO 0.02 0.04 0.25 0.86 0.98 0.00 0.00 173.24 175.39 2aoz s TRP 68 N -1.86 3.03 0.00 5.02 -0.11 -1.26 -1.46 118.94 122.30 2aoz s TRP 68 Ca 0.18 -3.08 0.00 0.00 1.22 0.00 0.00 56.10 54.42 2aoz s TRP 68 Cb -0.07 -2.70 0.00 0.00 -1.50 0.00 0.00 33.47 29.20 2aoz s TRP 68 CO 0.08 -0.75 0.00 1.63 -4.62 0.00 0.00 176.95 173.29 2aoz n LYS 69 N 3.18 -0.48 -1.47 5.86 5.02 0.18 -4.72 118.16 125.73 2aoz n LYS 69 Ca 0.05 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.18 2aoz n LYS 69 Cb 0.32 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.19 2aoz n LYS 69 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2aoz n ASP 70 N -2.40 -0.29 -0.09 4.39 5.68 -1.26 -2.14 116.55 120.44 2aoz n ASP 70 Ca 0.00 -1.07 -0.01 0.00 -0.50 0.00 0.00 54.79 53.20 2aoz n ASP 70 Cb 0.00 -0.98 -0.00 0.00 -1.14 0.00 0.00 41.12 38.99 2aoz n ASP 70 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2aoz n LYS 71 N 6.64 -1.61 -5.19 0.11 4.76 -1.26 -4.95 118.16 116.66 2aoz n LYS 71 Ca 0.52 0.45 -0.32 0.00 -2.87 0.00 0.00 58.31 56.10 2aoz n LYS 71 Cb 0.29 -4.68 -0.16 0.00 -1.84 0.00 0.00 35.03 28.64 2aoz n LYS 71 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2aoz s THR 72 N -1.27 2.25 -0.10 -0.18 2.01 -0.91 -5.05 115.64 112.38 2aoz s THR 72 Ca 0.00 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.85 2aoz s THR 72 Cb 0.00 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 2aoz s THR 72 CO 0.00 0.57 0.36 -0.63 -0.69 0.00 0.00 174.62 174.23 2aoz s ILE 73 N -0.27 5.22 -0.15 1.82 1.01 -1.26 0.50 121.20 128.07 2aoz s ILE 73 Ca -0.00 0.70 -0.01 0.00 0.00 0.00 0.00 60.65 61.33 2aoz s ILE 73 Cb -0.13 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.70 2aoz s ILE 73 CO 0.03 0.44 -0.02 -0.69 0.00 0.00 0.00 174.94 174.69 2aoz s VAL 74 N -0.02 0.82 0.21 2.92 1.01 -0.54 -4.99 120.40 119.82 2aoz s VAL 74 Ca 0.20 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 2aoz s VAL 74 Cb -0.14 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.10 2aoz s VAL 74 CO 0.08 0.11 1.17 0.00 0.00 0.00 0.00 175.10 176.46 2aoz n GLY 76 N 1.90 1.34 3.60 0.00 0.00 0.12 -4.89 105.19 107.25 2aoz n GLY 76 Ca 0.03 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 2aoz n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aoz s LYS 77 N 1.75 3.74 0.10 1.61 2.20 -1.26 -4.97 119.74 122.89 2aoz s LYS 77 Ca 0.00 0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 56.14 2aoz s LYS 77 Cb 0.00 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 2aoz s LYS 77 CO 0.00 -1.24 0.02 -0.80 -0.36 0.00 0.00 175.35 172.97 2aoz s ASN 78 N 2.25 0.38 0.71 1.43 0.02 -1.26 -4.65 114.94 113.82 2aoz s ASN 78 Ca 0.44 -1.12 -0.11 0.00 -1.02 0.00 0.00 52.86 51.06 2aoz s ASN 78 Cb -0.09 0.26 0.02 0.00 0.02 0.00 0.00 41.25 41.45 2aoz s ASN 78 CO 0.27 -0.68 1.07 0.54 0.02 0.00 0.00 177.10 178.32 2aoz s ASN 79 N -2.99 5.24 0.30 -1.22 2.20 -1.26 -4.68 114.94 112.53 2aoz s ASN 79 Ca 0.17 1.60 0.06 0.00 -0.94 0.00 0.00 52.86 53.75 2aoz s ASN 79 Cb 0.08 -2.45 0.76 0.00 -2.00 0.00 0.00 41.25 37.64 2aoz s ASN 79 CO -0.03 -1.53 1.75 -0.65 -2.94 0.00 0.00 177.10 173.69 2aoz h PRO 80 N -0.78 0.62 -0.23 3.55 0.11 -2.01 0.43 132.00 133.69 2aoz h PRO 80 Ca -0.44 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 2aoz h PRO 80 Cb 1.22 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2aoz h PRO 80 CO 0.57 0.41 -0.39 0.00 -0.21 0.00 0.00 178.00 178.37 2aoz h LEU 82 N 0.43 0.07 -0.10 0.00 3.38 -1.58 -2.31 115.31 115.21 2aoz h LEU 82 Ca 0.04 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2aoz h LEU 82 Cb 0.88 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2aoz h LEU 82 CO 0.07 0.86 -0.19 0.11 0.09 0.00 0.00 178.44 179.38 2aoz h LYS 83 N 0.03 -0.25 -0.39 1.13 1.57 -0.77 -0.76 116.57 117.13 2aoz h LYS 83 Ca -0.02 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2aoz h LYS 83 Cb 1.44 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.78 2aoz h LYS 83 CO 0.11 -0.16 0.20 1.96 -0.57 0.00 0.00 179.45 180.99 2aoz h GLN 84 N -0.26 0.39 -0.20 3.15 1.08 -1.30 -1.64 115.11 116.34 2aoz h GLN 84 Ca 0.09 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2aoz h GLN 84 Cb 0.38 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 2aoz h GLN 84 CO -0.25 0.26 0.02 1.49 -0.95 0.00 0.00 178.83 179.40 2aoz h GLU 85 N 0.41 0.09 -0.81 1.46 4.81 -1.26 0.01 114.58 119.28 2aoz h GLU 85 Ca 0.16 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2aoz h GLU 85 Cb 0.06 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2aoz h GLU 85 CO -0.11 0.06 0.43 0.00 -0.73 0.00 0.00 179.01 178.66 2aoz h GLU 87 N 1.14 0.31 0.59 0.00 4.39 -0.93 0.11 114.58 120.20 2aoz h GLU 87 Ca 0.28 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 2aoz h GLU 87 Cb 0.06 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2aoz h GLU 87 CO -0.04 0.68 -0.36 0.00 -1.16 0.00 0.00 179.01 178.12 2aoz h ASP 89 N -0.90 0.87 -0.11 0.00 3.32 -1.05 -1.71 116.42 116.84 2aoz h ASP 89 Ca -0.07 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2aoz h ASP 89 Cb 0.73 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2aoz h ASP 89 CO 0.08 0.54 0.06 0.50 -1.72 0.00 0.00 179.24 178.70 2aoz h LYS 90 N 0.99 0.13 -0.69 3.56 3.64 -0.72 -1.94 116.57 121.54 2aoz h LYS 90 Ca 0.40 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.73 2aoz h LYS 90 Cb 0.23 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2aoz h LYS 90 CO -0.19 0.09 0.26 0.00 -2.27 0.00 0.00 179.45 177.33 2aoz h ALA 91 N 1.05 1.16 -0.32 5.00 0.00 -0.94 -1.47 119.26 123.74 2aoz h ALA 91 Ca 0.04 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2aoz h ALA 91 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2aoz h ALA 91 CO -0.02 0.60 -0.31 -0.24 0.00 0.00 0.00 179.25 179.28 2aoz h VAL 92 N 1.00 1.28 -0.54 0.00 3.04 -1.12 -0.20 116.25 119.71 2aoz h VAL 92 Ca 0.23 -1.44 -0.09 0.00 -1.01 0.00 0.00 66.70 64.39 2aoz h VAL 92 Cb 0.21 1.37 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 2aoz h VAL 92 CO -0.02 0.47 -0.02 0.00 -1.01 0.00 0.00 177.57 176.99 2aoz h ALA 93 N 1.08 0.74 -0.41 3.17 0.00 -1.09 0.57 119.26 123.31 2aoz h ALA 93 Ca 0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2aoz h ALA 93 Cb 0.81 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2aoz h ALA 93 CO 0.07 0.58 -0.24 0.82 0.00 0.00 0.00 179.25 180.48 2aoz h ILE 94 N 0.85 1.28 0.19 0.00 2.04 -1.22 -2.51 117.51 118.14 2aoz h ILE 94 Ca 0.15 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 2aoz h ILE 94 Cb 0.57 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2aoz h ILE 94 CO 0.03 0.47 -0.09 0.00 0.00 0.00 0.00 178.15 178.56 2aoz h LEU 96 N -0.39 -1.08 -0.94 0.00 4.07 -0.95 -0.40 115.31 115.63 2aoz h LEU 96 Ca -0.03 0.15 0.25 0.00 0.08 0.00 0.00 57.88 58.33 2aoz h LEU 96 Cb 0.30 0.44 -0.13 0.00 1.08 0.00 0.00 40.66 42.35 2aoz h LEU 96 CO 0.04 -0.39 0.46 -0.09 -1.08 0.00 0.00 178.44 177.39 2aoz h ARG 97 N -0.45 0.41 -0.08 1.13 2.43 -1.41 -2.50 114.38 113.90 2aoz h ARG 97 Ca 0.08 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2aoz h ARG 97 Cb 0.58 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2aoz h ARG 97 CO -0.34 0.27 -0.20 -0.44 -1.51 0.00 0.00 179.97 177.75 2aoz h ASP 98 N 0.42 0.13 -1.25 -3.80 3.32 0.42 -3.28 116.42 112.37 2aoz h ASP 98 Ca 0.61 -0.03 -0.64 0.00 0.02 0.00 0.00 57.03 56.99 2aoz h ASP 98 Cb 1.21 -0.03 -0.36 0.00 0.22 0.00 0.00 39.33 40.37 2aoz h ASP 98 CO -0.54 0.34 0.06 0.59 -1.72 0.00 0.00 179.24 177.97 2aoz n ASN 99 N -4.24 6.20 0.01 6.45 4.13 -0.94 -4.74 115.26 122.12 2aoz n ASN 99 Ca -0.01 -3.77 0.12 0.00 1.68 0.00 0.00 54.58 52.59 2aoz n ASN 99 Cb 0.30 -0.70 0.15 0.00 -1.54 0.00 0.00 39.78 37.99 2aoz n ASN 99 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2aoz n LEU 100 N -0.68 0.61 -0.80 3.41 0.00 -1.24 -1.53 117.00 116.77 2aoz n LEU 100 Ca 0.50 -0.07 0.06 0.00 0.00 0.00 0.00 56.01 56.50 2aoz n LEU 100 Cb 0.66 -0.18 0.18 0.00 0.00 0.00 0.00 43.42 44.08 2aoz n LEU 100 CO 0.52 0.12 0.65 -0.90 0.00 0.00 0.00 177.39 177.78 2aoz n ASP 101 N -1.60 2.31 0.00 1.96 5.75 -1.26 -4.04 116.55 119.66 2aoz n ASP 101 Ca 0.05 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 2aoz n ASP 101 Cb 0.36 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2aoz n ASP 101 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2aoz n THR 102 N 0.66 0.00 -1.49 2.12 -1.04 -0.58 -5.08 114.28 108.87 2aoz n THR 102 Ca 0.14 -0.14 -0.50 0.00 -2.04 0.00 0.00 64.05 61.51 2aoz n THR 102 Cb 0.38 0.73 -0.04 0.00 -1.82 0.00 0.00 70.33 69.58 2aoz n THR 102 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2aoz n TYR 103 N -0.50 0.40 -3.95 -1.42 4.19 -0.97 -4.89 117.16 110.01 2aoz n TYR 103 Ca 0.00 0.89 -0.31 0.00 3.31 0.00 0.00 57.90 61.79 2aoz n TYR 103 Cb 0.00 -2.10 -0.15 0.00 0.49 0.00 0.00 39.34 37.58 2aoz n TYR 103 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 2aoz s ASN 104 N -0.50 4.60 0.24 2.98 3.84 -1.26 -4.96 114.94 119.88 2aoz s ASN 104 Ca 0.71 -2.04 0.13 0.00 0.21 0.00 0.00 52.86 51.87 2aoz s ASN 104 Cb -0.95 -1.45 0.69 0.00 -0.55 0.00 0.00 41.25 38.98 2aoz s ASN 104 CO 0.56 -0.39 1.31 2.29 -2.79 0.00 0.00 177.10 178.08 2aoz n LYS 105 N 4.39 0.08 0.17 0.43 2.85 -1.26 0.95 118.16 125.77 2aoz n LYS 105 Ca 0.03 0.55 0.05 0.00 -1.05 0.00 0.00 58.31 57.88 2aoz n LYS 105 Cb 0.42 -1.93 0.19 0.00 -0.65 0.00 0.00 35.03 33.06 2aoz n LYS 105 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2aoz h ASN 106 N 0.00 0.00 0.30 -5.58 2.35 -2.00 -3.09 115.58 107.56 2aoz h ASN 106 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2aoz h ASN 106 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2aoz h ASN 106 CO 0.00 0.42 -0.41 -1.22 -1.65 0.00 0.00 177.43 174.57 2aoz n TYR 107 N -3.34 0.00 -0.22 1.19 4.01 0.27 -4.45 117.16 114.61 2aoz n TYR 107 Ca 0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.78 2aoz n TYR 107 Cb 0.62 -0.15 0.14 0.00 -0.31 0.00 0.00 39.34 39.63 2aoz n TYR 107 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2aoz h LYS 108 N 0.77 0.22 -3.73 -0.72 3.64 -1.45 -1.55 116.57 113.75 2aoz h LYS 108 Ca 0.00 -0.01 -0.65 0.00 -1.27 0.00 0.00 60.65 58.72 2aoz h LYS 108 Cb 0.52 -0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 31.89 2aoz h LYS 108 CO 0.00 0.15 -0.63 0.42 -2.27 0.00 0.00 179.45 177.11 2aoz s ILE 109 N -6.09 2.60 -0.07 2.00 1.01 -1.26 -2.38 121.20 117.02 2aoz s ILE 109 Ca -0.13 -3.05 -0.10 0.00 0.00 0.00 0.00 60.65 57.37 2aoz s ILE 109 Cb 0.19 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2aoz s ILE 109 CO 0.75 -0.76 0.25 -0.47 0.00 0.00 0.00 174.94 174.71 2aoz s TYR 110 N 0.03 3.65 -0.94 3.97 5.04 0.33 -4.98 117.35 124.45 2aoz s TYR 110 Ca 0.15 0.71 -0.21 0.00 -2.44 0.00 0.00 57.07 55.28 2aoz s TYR 110 Cb -0.24 -2.08 -0.12 0.00 0.35 0.00 0.00 41.96 39.88 2aoz s TYR 110 CO -0.02 0.70 1.95 -0.35 -1.34 0.00 0.00 175.55 176.49 2aoz n PRO 111 N 1.89 1.74 -0.19 4.97 -0.04 -1.26 -4.81 135.00 137.29 2aoz n PRO 111 Ca -0.17 -2.09 0.12 0.00 -0.04 0.00 0.00 63.50 61.32 2aoz n PRO 111 Cb 0.54 -3.12 0.44 0.00 -0.04 0.00 0.00 33.50 31.32 2aoz n PRO 111 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2aoz h LYS 112 N 7.98 0.55 -0.10 0.54 1.57 -1.93 -1.46 116.57 123.72 2aoz h LYS 112 Ca 0.41 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.18 2aoz h LYS 112 Cb 0.72 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2aoz h LYS 112 CO 1.81 0.36 0.22 -1.35 -0.57 0.00 0.00 179.45 179.92 2aoz h PRO 113 N 0.56 0.00 -0.00 3.15 0.11 -1.98 -1.99 132.00 131.85 2aoz h PRO 113 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2aoz h PRO 113 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2aoz h PRO 113 CO -0.14 0.00 -0.21 1.28 -0.21 0.00 0.00 178.00 178.72 2aoz n LEU 114 N -3.34 0.55 -4.76 2.35 4.77 -0.55 -4.95 117.00 111.08 2aoz n LEU 114 Ca -0.00 -0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 2aoz n LEU 114 Cb 0.31 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2aoz n LEU 114 CO 0.21 0.11 1.00 0.00 -1.33 0.00 0.00 177.39 177.38 2aoz s LYS 116 N -2.75 3.99 0.36 0.00 1.02 -1.26 -4.90 119.74 116.20 2aoz s LYS 116 Ca 0.68 2.51 -0.28 0.00 0.02 0.00 0.00 55.97 58.89 2aoz s LYS 116 Cb -0.40 -2.87 -0.11 0.00 -0.52 0.00 0.00 37.83 33.92 2aoz s LYS 116 CO 0.49 -0.61 1.52 1.63 -0.92 0.00 0.00 175.35 177.46 2aoz n LYS 117 N 0.26 2.70 -2.28 1.68 5.02 -1.26 -1.16 118.16 123.12 2aoz n LYS 117 Ca 0.02 0.95 -0.38 0.00 -2.02 0.00 0.00 58.31 56.88 2aoz n LYS 117 Cb 0.40 -2.70 -0.02 0.00 -0.02 0.00 0.00 35.03 32.70 2aoz n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aoz s ALA 118 N -0.90 3.14 1.14 7.82 0.00 -1.26 -4.07 121.76 127.63 2aoz s ALA 118 Ca 0.55 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 2aoz s ALA 118 Cb -0.48 -3.38 0.26 0.00 0.00 0.00 0.00 23.12 19.52 2aoz s ALA 118 CO 0.61 -0.55 1.06 -0.51 0.00 0.00 0.00 175.76 176.37 2aoz s ASP 119 N -1.15 1.32 0.23 0.00 1.01 -1.26 -4.94 116.67 111.88 2aoz s ASP 119 Ca 0.58 1.10 -0.30 0.00 0.71 0.00 0.00 52.55 54.64 2aoz s ASP 119 Cb -0.31 -1.68 -0.09 0.00 1.01 0.00 0.00 42.92 41.86 2aoz s ASP 119 CO 0.38 -3.93 1.13 -0.62 0.21 0.00 0.00 175.17 172.34 2aoz s ASP 120 N -3.26 7.21 0.00 0.27 2.15 -1.26 -5.03 116.67 116.75 2aoz s ASP 120 Ca 0.68 2.22 0.00 0.00 0.43 0.00 0.00 52.55 55.88 2aoz s ASP 120 Cb -0.18 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.82 2aoz s ASP 120 CO 0.59 -0.23 0.44 0.00 -0.17 0.00 0.00 175.17 175.80