#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ail s ASP 2 N 0.00 5.85 0.24 6.12 1.01 -1.26 -4.95 116.67 123.68 1ail s ASP 2 Ca 0.00 1.91 -0.05 0.00 0.71 0.00 0.00 52.55 55.12 1ail s ASP 2 Cb 0.00 -2.55 0.37 0.00 1.01 0.00 0.00 42.92 41.75 1ail s ASP 2 CO 0.00 -1.12 1.80 -1.28 0.21 0.00 0.00 175.17 174.78 1ail h SER 3 N 0.79 0.59 0.42 0.27 0.87 -2.06 -2.10 113.55 112.34 1ail h SER 3 Ca -0.48 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.08 1ail h SER 3 Cb 1.23 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1ail h SER 3 CO 0.57 0.34 -0.25 0.78 -0.53 0.00 0.00 176.83 177.74 1ail h ASN 4 N 0.72 0.00 -0.33 6.23 4.21 -1.99 -1.53 115.58 122.88 1ail h ASN 4 Ca 0.38 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.76 1ail h ASN 4 Cb 0.36 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 1ail h ASN 4 CO -0.25 0.25 -0.24 0.74 -1.29 0.00 0.00 177.43 176.64 1ail h THR 5 N 0.00 1.27 -0.11 2.81 2.02 -1.76 -0.18 112.91 116.96 1ail h THR 5 Ca -0.00 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.78 1ail h THR 5 Cb 0.53 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1ail h THR 5 CO 0.03 0.46 -0.01 0.58 0.37 0.00 0.00 175.52 176.95 1ail h VAL 6 N 0.72 1.27 -0.11 3.16 2.07 -1.25 -1.92 116.25 120.19 1ail h VAL 6 Ca 0.09 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1ail h VAL 6 Cb 0.77 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1ail h VAL 6 CO 0.06 0.25 -0.37 0.77 0.02 0.00 0.00 177.57 178.31 1ail h SER 7 N -0.09 0.24 -0.59 0.57 4.64 -1.20 -0.82 113.55 116.30 1ail h SER 7 Ca 0.03 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1ail h SER 7 Cb 0.40 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1ail h SER 7 CO 0.01 0.60 0.19 0.28 -0.87 0.00 0.00 176.83 177.04 1ail h SER 8 N 0.20 0.85 -0.49 4.97 0.02 -0.90 -1.18 113.55 117.02 1ail h SER 8 Ca 0.02 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 1ail h SER 8 Cb 0.75 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1ail h SER 8 CO 0.06 0.83 0.04 0.15 -1.14 0.00 0.00 176.83 176.77 1ail h PHE 9 N 0.83 0.89 -0.39 3.45 3.57 -0.73 -1.54 116.94 123.03 1ail h PHE 9 Ca 0.19 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1ail h PHE 9 Cb 0.27 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1ail h PHE 9 CO 0.02 0.83 0.25 1.96 -2.23 0.00 0.00 178.31 179.14 1ail h GLN 10 N 0.69 0.52 -0.00 1.11 4.20 -0.81 0.07 115.11 120.89 1ail h GLN 10 Ca 0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ail h GLN 10 Cb 0.45 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1ail h GLN 10 CO 0.02 0.36 0.00 0.28 -0.67 0.00 0.00 178.83 178.82 1ail h VAL 11 N 0.53 1.03 -0.46 -0.54 2.07 -1.15 -1.41 116.25 116.31 1ail h VAL 11 Ca 0.14 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1ail h VAL 11 Cb -0.04 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1ail h VAL 11 CO -0.03 0.02 0.23 0.44 0.02 0.00 0.00 177.57 178.25 1ail h ASP 12 N -0.02 0.57 -0.33 0.57 3.32 -0.94 0.14 116.42 119.72 1ail h ASP 12 Ca 0.00 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1ail h ASP 12 Cb 0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1ail h ASP 12 CO -0.00 0.48 0.03 0.00 -1.72 0.00 0.00 179.24 178.03 1ail h PHE 14 N 0.38 0.81 -0.42 0.00 3.57 -0.74 -2.06 116.94 118.48 1ail h PHE 14 Ca 0.10 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 1ail h PHE 14 Cb 0.39 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1ail h PHE 14 CO 0.03 0.93 0.11 -0.07 -2.23 0.00 0.00 178.31 177.08 1ail h LEU 15 N 0.46 0.58 -0.67 0.59 3.38 -0.61 -1.06 115.31 117.98 1ail h LEU 15 Ca 0.07 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ail h LEU 15 Cb 0.73 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1ail h LEU 15 CO 0.05 0.57 0.43 -0.25 0.09 0.00 0.00 178.44 179.33 1ail h TRP 16 N 0.61 0.80 -0.96 1.13 7.01 -0.86 -0.92 115.95 122.76 1ail h TRP 16 Ca 0.14 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.18 1ail h TRP 16 Cb 0.22 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 1ail h TRP 16 CO 0.01 0.47 0.64 1.25 -2.79 0.00 0.00 178.44 178.01 1ail h HIS 17 N 0.84 1.20 -0.51 2.65 2.76 -0.57 -0.63 115.15 120.89 1ail h HIS 17 Ca 0.27 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.42 1ail h HIS 17 Cb -0.01 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 28.53 1ail h HIS 17 CO -0.04 0.74 0.16 0.28 -1.30 0.00 0.00 177.93 177.76 1ail h VAL 18 N 1.28 1.23 -0.69 5.26 2.07 -0.80 -2.02 116.25 122.58 1ail h VAL 18 Ca 0.36 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1ail h VAL 18 Cb -0.11 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1ail h VAL 18 CO -0.09 0.29 0.29 0.03 0.02 0.00 0.00 177.57 178.11 1ail h ARG 19 N 0.69 1.01 -0.91 1.57 3.08 -0.56 -1.49 114.38 117.78 1ail h ARG 19 Ca 0.16 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ail h ARG 19 Cb 0.28 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1ail h ARG 19 CO -0.00 0.81 0.55 -0.22 -1.07 0.00 0.00 179.97 180.04 1ail h LYS 20 N 0.99 1.23 -0.35 0.04 1.63 -0.87 -1.55 116.57 117.70 1ail h LYS 20 Ca 0.24 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1ail h LYS 20 Cb 0.17 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 1ail h LYS 20 CO -0.02 0.86 -0.10 1.96 -3.45 0.00 0.00 179.45 178.70 1ail h GLN 21 N 1.25 0.59 -0.37 1.90 1.08 -0.75 -0.70 115.11 118.10 1ail h GLN 21 Ca 0.33 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1ail h GLN 21 Cb -0.06 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1ail h GLN 21 CO -0.06 0.68 0.17 0.28 -0.95 0.00 0.00 178.83 178.95 1ail h VAL 22 N 0.54 1.18 -0.80 -0.54 2.07 -0.59 -1.59 116.25 116.52 1ail h VAL 22 Ca 0.10 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1ail h VAL 22 Cb 0.49 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1ail h VAL 22 CO 0.03 0.19 0.34 0.58 0.02 0.00 0.00 177.57 178.73 1ail h VAL 23 N 0.46 1.26 0.00 2.57 2.07 -0.99 -2.21 116.25 119.41 1ail h VAL 23 Ca 0.13 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1ail h VAL 23 Cb 0.14 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1ail h VAL 23 CO -0.01 0.32 -0.04 0.44 0.02 0.00 0.00 177.57 178.30 1ail h ASP 24 N 1.15 0.00 -0.20 0.57 3.32 -0.79 -1.48 116.42 118.99 1ail h ASP 24 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1ail h ASP 24 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ail h ASP 24 CO -0.03 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 1ail n GLN 25 N -3.20 1.68 -3.30 3.56 1.13 -0.63 -4.91 117.38 111.72 1ail n GLN 25 Ca -0.00 -1.04 -0.21 0.00 -1.94 0.00 0.00 57.00 53.81 1ail n GLN 25 Cb 0.27 -1.34 0.06 0.00 0.11 0.00 0.00 30.24 29.33 1ail n GLN 25 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ail n GLU 26 N 0.28 -6.25 -0.01 -1.09 1.02 -0.56 -4.92 120.64 109.12 1ail n GLU 26 Ca 0.14 0.77 0.07 0.00 -0.02 0.00 0.00 57.16 58.12 1ail n GLU 26 Cb 0.29 -5.52 0.07 0.00 -0.02 0.00 0.00 31.44 26.26 1ail n GLU 26 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ail n LEU 27 N -4.24 2.21 -4.90 -4.62 4.77 -0.88 -5.00 117.00 104.33 1ail n LEU 27 Ca -0.03 -1.05 -0.34 0.00 -0.03 0.00 0.00 56.01 54.56 1ail n LEU 27 Cb 0.57 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1ail n LEU 27 CO 0.53 0.42 -0.11 -0.83 -1.33 0.00 0.00 177.39 176.07 1ail s GLY 28 N -1.15 2.21 0.57 -0.72 0.00 -1.26 -4.95 107.32 102.03 1ail s GLY 28 Ca 0.17 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.22 1ail s GLY 28 CO 0.17 -0.54 0.78 2.09 0.00 0.00 0.00 173.10 175.61 1ail n ASP 29 N 0.95 1.17 -0.01 1.64 5.68 -1.26 -4.87 116.55 119.85 1ail n ASP 29 Ca -0.10 -1.96 -0.11 0.00 -0.50 0.00 0.00 54.79 52.12 1ail n ASP 29 Cb 0.53 -0.50 -0.05 0.00 -1.14 0.00 0.00 41.12 39.96 1ail n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ail h ALA 30 N -0.47 0.14 -0.07 2.12 0.00 -1.99 -1.39 119.26 117.60 1ail h ALA 30 Ca -0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1ail h ALA 30 Cb 0.99 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ail h ALA 30 CO 0.29 -0.35 -0.23 -1.35 0.00 0.00 0.00 179.25 177.61 1ail h PRO 31 N 0.12 0.11 -0.61 0.00 0.11 -1.99 0.35 132.00 130.09 1ail h PRO 31 Ca 0.04 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 1ail h PRO 31 Cb 0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1ail h PRO 31 CO -0.01 0.34 0.02 0.35 -0.21 0.00 0.00 178.00 178.49 1ail h PHE 32 N 0.10 1.15 -0.52 0.65 3.04 -1.83 -1.21 116.94 118.33 1ail h PHE 32 Ca 0.02 -0.19 -0.07 0.00 3.98 0.00 0.00 57.97 61.70 1ail h PHE 32 Cb 0.46 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 1ail h PHE 32 CO 0.00 1.01 0.04 1.25 -2.02 0.00 0.00 178.31 178.59 1ail h LEU 33 N 0.96 0.87 -0.78 0.59 5.85 -0.54 -1.40 115.31 120.86 1ail h LEU 33 Ca 0.17 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ail h LEU 33 Cb 0.53 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1ail h LEU 33 CO 0.03 0.94 0.48 -0.78 -0.34 0.00 0.00 178.44 178.77 1ail h ASP 34 N 0.77 0.93 -0.51 1.25 3.58 -0.57 -1.21 116.42 120.67 1ail h ASP 34 Ca 0.15 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 1ail h ASP 34 Cb 0.47 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 1ail h ASP 34 CO 0.02 0.71 0.12 0.03 -2.88 0.00 0.00 179.24 177.25 1ail h ARG 35 N 1.07 0.87 -0.40 0.28 3.08 -1.07 -1.25 114.38 116.95 1ail h ARG 35 Ca 0.28 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1ail h ARG 35 Cb -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1ail h ARG 35 CO -0.05 0.79 0.21 1.25 -1.07 0.00 0.00 179.97 181.10 1ail h LEU 36 N 0.84 0.52 -0.24 3.04 5.85 -0.86 -0.78 115.31 123.68 1ail h LEU 36 Ca 0.18 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1ail h LEU 36 Cb 0.33 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1ail h LEU 36 CO 0.00 0.48 0.06 0.03 -0.34 0.00 0.00 178.44 178.67 1ail h ARG 37 N 0.52 0.39 -0.36 1.25 3.08 -0.98 -1.22 114.38 117.06 1ail h ARG 37 Ca 0.14 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1ail h ARG 37 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1ail h ARG 37 CO -0.02 0.50 0.21 0.00 -1.07 0.00 0.00 179.97 179.58 1ail h ARG 38 N 0.21 0.50 -0.10 0.04 3.08 -1.18 -2.81 114.38 114.12 1ail h ARG 38 Ca 0.08 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1ail h ARG 38 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1ail h ARG 38 CO 0.00 0.40 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.62 1ail h ASP 39 N 0.47 0.18 -0.55 7.04 3.32 -1.06 -2.22 116.42 123.60 1ail h ASP 39 Ca 0.13 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1ail h ASP 39 Cb 0.04 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1ail h ASP 39 CO -0.02 0.43 0.18 -0.61 -1.72 0.00 0.00 179.24 177.51 1ail h GLN 40 N 0.16 0.84 -0.70 3.56 4.15 -0.97 -0.16 115.11 122.00 1ail h GLN 40 Ca 0.03 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 1ail h GLN 40 Cb 0.54 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1ail h GLN 40 CO 0.04 0.76 0.35 0.87 -1.93 0.00 0.00 178.83 178.91 1ail h LYS 41 N 0.75 1.00 -0.68 1.69 1.79 -1.28 -2.24 116.57 117.60 1ail h LYS 41 Ca 0.18 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.44 1ail h LYS 41 Cb 0.26 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 1ail h LYS 41 CO -0.01 0.78 0.17 1.03 -1.08 0.00 0.00 179.45 180.35 1ail h SER 42 N 0.97 1.02 -0.47 0.86 0.87 -1.23 -2.25 113.55 113.31 1ail h SER 42 Ca 0.24 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 1ail h SER 42 Cb 0.10 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1ail h SER 42 CO -0.03 0.98 -0.12 -0.07 -0.53 0.00 0.00 176.83 177.06 1ail h LEU 43 N 1.01 0.92 -0.83 2.23 3.38 -0.92 -0.75 115.31 120.35 1ail h LEU 43 Ca 0.21 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1ail h LEU 43 Cb 0.35 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1ail h LEU 43 CO 0.00 1.07 0.26 0.03 0.09 0.00 0.00 178.44 179.90 1ail h ARG 44 N 0.76 1.13 -0.58 1.13 2.47 -1.27 0.11 114.38 118.14 1ail h ARG 44 Ca 0.12 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.53 1ail h ARG 44 Cb 0.67 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 1ail h ARG 44 CO 0.05 0.94 0.03 0.78 0.56 0.00 0.00 179.97 182.32 1ail h GLY 45 N 1.12 1.08 1.35 0.04 0.00 -1.11 -1.12 103.07 104.43 1ail h GLY 45 Ca 0.25 -0.78 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 1ail h GLY 45 CO -0.01 0.72 -0.20 3.21 0.00 0.00 0.00 176.54 180.25 1ail h ARG 46 N 0.90 0.76 -0.51 4.80 3.08 -0.82 -1.46 114.38 121.12 1ail h ARG 46 Ca 0.17 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1ail h ARG 46 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1ail h ARG 46 CO 0.02 0.90 0.03 0.78 -1.07 0.00 0.00 179.97 180.63 1ail h GLY 47 N 0.97 0.94 0.89 0.04 0.00 -0.68 -0.15 103.07 105.09 1ail h GLY 47 Ca 0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1ail h GLY 47 CO 0.05 0.62 0.05 0.23 0.00 0.00 0.00 176.54 177.49 1ail h SER 48 N 0.74 0.14 -0.39 0.19 0.87 -0.95 -0.64 113.55 113.51 1ail h SER 48 Ca 0.15 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1ail h SER 48 Cb 0.48 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1ail h SER 48 CO 0.02 0.23 0.24 0.74 -0.53 0.00 0.00 176.83 177.52 1ail h THR 49 N 0.03 1.05 0.00 2.23 2.02 -1.08 -2.96 112.91 114.20 1ail h THR 49 Ca 0.03 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ail h THR 49 Cb 0.13 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1ail h THR 49 CO -0.00 0.09 -0.02 -0.07 0.37 0.00 0.00 175.52 175.88 1ail h LEU 50 N 0.48 0.00 0.87 2.58 3.38 -0.98 -3.47 115.31 118.16 1ail h LEU 50 Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1ail h LEU 50 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ail h LEU 50 CO -0.07 0.02 -0.16 0.61 0.09 0.00 0.00 178.44 178.94 1ail n GLY 51 N 0.86 0.14 3.73 0.83 0.00 -0.31 -5.04 105.19 105.40 1ail n GLY 51 Ca 0.03 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1ail n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ail s LEU 52 N -1.78 4.10 0.05 0.99 1.43 -0.82 -5.04 118.68 117.62 1ail s LEU 52 Ca 0.00 0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.02 1ail s LEU 52 Cb 0.00 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 1ail s LEU 52 CO 0.00 0.23 1.37 0.21 0.23 0.00 0.00 176.35 178.39 1ail s ASN 53 N 0.05 6.87 0.22 2.29 3.84 -1.26 -4.66 114.94 122.28 1ail s ASN 53 Ca 0.08 2.18 -0.02 0.00 0.21 0.00 0.00 52.86 55.31 1ail s ASN 53 Cb -0.12 -2.57 0.20 0.00 -0.55 0.00 0.00 41.25 38.21 1ail s ASN 53 CO -0.00 -0.66 1.59 0.40 -2.79 0.00 0.00 177.10 175.64 1ail h ILE 54 N 4.62 1.29 -0.45 -5.21 2.04 -1.98 -2.17 117.51 115.65 1ail h ILE 54 Ca -0.40 -1.54 -0.09 0.00 1.00 0.00 0.00 64.86 63.82 1ail h ILE 54 Cb 1.19 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1ail h ILE 54 CO 0.88 0.49 -0.10 -0.33 0.00 0.00 0.00 178.15 179.09 1ail h GLU 55 N 0.50 0.81 -0.27 2.37 4.39 -2.00 -0.26 114.58 120.12 1ail h GLU 55 Ca 0.05 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1ail h GLU 55 Cb 0.89 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1ail h GLU 55 CO 0.08 0.88 0.08 0.00 -1.16 0.00 0.00 179.01 178.89 1ail h ALA 56 N 1.15 0.35 -0.77 3.43 0.00 -1.95 -2.83 119.26 118.64 1ail h ALA 56 Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ail h ALA 56 Cb 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1ail h ALA 56 CO 0.04 -0.01 0.34 0.00 0.00 0.00 0.00 179.25 179.62 1ail h ALA 57 N 0.92 1.00 -0.66 0.00 0.00 -1.15 -2.06 119.26 117.31 1ail h ALA 57 Ca 0.09 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ail h ALA 57 Cb 0.24 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1ail h ALA 57 CO -0.00 0.59 0.40 1.15 0.00 0.00 0.00 179.25 181.39 1ail h THR 58 N 1.10 1.06 -0.49 0.00 2.02 -0.93 0.11 112.91 115.79 1ail h THR 58 Ca 0.26 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1ail h THR 58 Cb 0.16 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1ail h THR 58 CO -0.03 0.14 -0.08 0.45 0.37 0.00 0.00 175.52 176.37 1ail h HIS 59 N 0.78 0.95 -0.28 3.16 3.86 -1.24 -0.96 115.15 121.41 1ail h HIS 59 Ca 0.27 -0.17 -0.16 0.00 -1.16 0.00 0.00 60.37 59.15 1ail h HIS 59 Cb 0.05 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1ail h HIS 59 CO -0.05 0.91 -0.45 0.28 0.86 0.00 0.00 177.93 179.47 1ail h VAL 60 N 0.79 1.29 -0.98 2.45 2.07 -0.89 -2.87 116.25 118.11 1ail h VAL 60 Ca 0.13 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 66.05 1ail h VAL 60 Cb 0.59 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 1ail h VAL 60 CO 0.04 0.53 0.64 1.23 0.02 0.00 0.00 177.57 180.03 1ail h GLY 61 N 0.92 1.44 0.51 2.17 0.00 -0.22 -1.20 103.07 106.69 1ail h GLY 61 Ca 0.04 -0.49 0.07 0.00 0.00 0.00 0.00 47.33 46.95 1ail h GLY 61 CO 0.10 0.41 0.13 1.70 0.00 0.00 0.00 176.54 178.88 1ail h LYS 62 N 1.23 0.28 -0.85 4.80 3.64 -1.05 -1.00 116.57 123.62 1ail h LYS 62 Ca 0.39 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1ail h LYS 62 Cb 0.01 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1ail h LYS 62 CO -0.13 0.18 0.49 1.96 -2.27 0.00 0.00 179.45 179.69 1ail h GLN 63 N 0.29 1.17 -0.41 1.90 4.20 -1.12 0.22 115.11 121.35 1ail h GLN 63 Ca 0.22 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1ail h GLN 63 Cb 0.25 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1ail h GLN 63 CO -0.25 0.84 0.22 0.82 -0.67 0.00 0.00 178.83 179.79 1ail h ILE 64 N 1.17 1.16 -0.23 2.54 2.04 -0.93 -1.82 117.51 121.44 1ail h ILE 64 Ca 0.30 -0.41 -0.16 0.00 1.00 0.00 0.00 64.86 65.59 1ail h ILE 64 Cb -0.01 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1ail h ILE 64 CO -0.05 0.16 -0.51 0.58 0.00 0.00 0.00 178.15 178.33 1ail h VAL 65 N 0.53 1.30 -0.89 1.67 2.07 -0.94 -2.58 116.25 117.41 1ail h VAL 65 Ca 0.14 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1ail h VAL 65 Cb 0.07 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1ail h VAL 65 CO -0.02 0.55 0.54 -0.33 0.02 0.00 0.00 177.57 178.32 1ail h GLU 66 N 0.51 1.21 -0.96 1.57 5.08 -0.83 0.08 114.58 121.24 1ail h GLU 66 Ca 0.02 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ail h GLU 66 Cb 1.06 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 1ail h GLU 66 CO 0.10 0.85 0.62 0.87 -1.00 0.00 0.00 179.01 180.45 1ail h LYS 67 N 1.22 1.15 -0.24 2.33 1.57 -1.19 -2.85 116.57 118.57 1ail h LYS 67 Ca 0.32 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.83 1ail h LYS 67 Cb -0.05 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1ail h LYS 67 CO -0.06 0.76 -0.62 0.82 -0.57 0.00 0.00 179.45 179.78 1ail h ILE 68 N 1.19 1.28 0.00 1.86 2.04 -0.90 -3.15 117.51 119.82 1ail h ILE 68 Ca 0.39 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1ail h ILE 68 Cb 0.04 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1ail h ILE 68 CO -0.13 0.58 0.00 0.18 0.00 0.00 0.00 178.15 178.78 1ail n LEU 69 N -4.00 0.00 0.00 1.44 4.77 -0.08 -5.11 117.00 114.03 1ail n LEU 69 Ca -0.06 0.46 0.15 0.00 -0.03 0.00 0.00 56.01 56.53 1ail n LEU 69 Cb 0.67 -0.46 0.87 0.00 -2.33 0.00 0.00 43.42 42.17 1ail n LEU 69 CO 0.51 -0.27 1.04 1.17 -1.33 0.00 0.00 177.39 178.51