#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5a s ILE 2 N 0.00 4.24 -0.32 2.02 -5.25 -1.26 -5.09 121.20 115.55 2b5a s ILE 2 Ca 0.00 -1.11 -0.18 0.00 -0.99 0.00 0.00 60.65 58.38 2b5a s ILE 2 Cb 0.00 -3.12 -0.01 0.00 2.95 0.00 0.00 42.46 42.27 2b5a s ILE 2 CO 0.00 -0.05 0.49 0.21 -1.79 0.00 0.00 174.94 173.80 2b5a s ASN 3 N -2.86 6.32 0.12 4.36 3.84 -1.26 -4.99 114.94 120.48 2b5a s ASN 3 Ca 0.29 0.10 -0.14 0.00 0.21 0.00 0.00 52.86 53.33 2b5a s ASN 3 Cb -0.10 -2.26 -0.04 0.00 -0.55 0.00 0.00 41.25 38.30 2b5a s ASN 3 CO 0.21 -0.40 1.51 -0.33 -2.79 0.00 0.00 177.10 175.30 2b5a h GLU 4 N 8.34 0.76 -0.63 0.43 5.08 -1.99 -1.62 114.58 124.95 2b5a h GLU 4 Ca -0.29 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 57.70 2b5a h GLU 4 Cb 1.13 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2b5a h GLU 4 CO 0.74 0.93 0.18 0.82 -1.00 0.00 0.00 179.01 180.68 2b5a h ILE 5 N 0.55 1.25 -0.58 3.13 2.04 -1.97 -1.62 117.51 120.32 2b5a h ILE 5 Ca 0.09 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 2b5a h ILE 5 Cb 0.68 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2b5a h ILE 5 CO 0.05 0.33 0.36 -0.33 0.00 0.00 0.00 178.15 178.56 2b5a h GLU 6 N 0.92 0.78 -0.25 2.37 5.08 -1.94 -0.26 114.58 121.28 2b5a h GLU 6 Ca 0.20 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2b5a h GLU 6 Cb 0.32 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2b5a h GLU 6 CO -0.00 0.55 0.15 0.82 -1.00 0.00 0.00 179.01 179.53 2b5a h ILE 7 N 0.78 1.09 -0.46 3.13 1.08 -1.03 0.29 117.51 122.40 2b5a h ILE 7 Ca 0.21 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 2b5a h ILE 7 Cb -0.04 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 2b5a h ILE 7 CO -0.04 0.09 0.10 0.11 -0.69 0.00 0.00 178.15 177.72 2b5a h LYS 8 N 0.32 0.74 -0.59 2.37 1.57 -1.08 -0.66 116.57 119.24 2b5a h LYS 8 Ca 0.09 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 2b5a h LYS 8 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2b5a h LYS 8 CO -0.02 0.74 -0.04 0.00 -0.57 0.00 0.00 179.45 179.57 2b5a h ARG 9 N 0.61 1.07 -0.49 3.15 3.08 -0.92 -1.87 114.38 119.01 2b5a h ARG 9 Ca 0.14 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 59.70 2b5a h ARG 9 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2b5a h ARG 9 CO 0.00 1.06 -0.20 -0.22 -1.07 0.00 0.00 179.97 179.55 2b5a h LYS 10 N 0.96 0.99 -0.43 0.04 1.63 -0.82 -0.81 116.57 118.13 2b5a h LYS 10 Ca 0.16 -0.41 -0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2b5a h LYS 10 Cb 0.60 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 2b5a h LYS 10 CO 0.04 1.09 0.26 0.35 -3.45 0.00 0.00 179.45 177.74 2b5a h PHE 11 N 0.86 0.56 -0.62 1.91 3.57 -1.02 -1.22 116.94 120.97 2b5a h PHE 11 Ca 0.11 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2b5a h PHE 11 Cb 0.77 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2b5a h PHE 11 CO 0.05 0.39 0.28 0.78 -2.23 0.00 0.00 178.31 177.58 2b5a h GLY 12 N 0.57 0.97 1.21 2.40 0.00 -1.01 -0.27 103.07 106.93 2b5a h GLY 12 Ca 0.15 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2b5a h GLY 12 CO -0.03 0.47 0.28 3.21 0.00 0.00 0.00 176.54 180.48 2b5a h ARG 13 N 0.85 1.02 -0.42 4.80 3.08 -1.01 -1.51 114.38 121.18 2b5a h ARG 13 Ca 0.21 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 2b5a h ARG 13 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2b5a h ARG 13 CO -0.02 0.82 -0.21 1.15 -1.07 0.00 0.00 179.97 180.64 2b5a h THR 14 N 1.00 1.28 -0.16 2.04 2.02 -0.74 -0.98 112.91 117.37 2b5a h THR 14 Ca 0.23 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 2b5a h THR 14 Cb 0.18 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2b5a h THR 14 CO -0.02 0.46 0.09 0.25 0.37 0.00 0.00 175.52 176.66 2b5a h LEU 15 N 0.69 0.20 -0.62 2.58 5.85 -0.86 -0.18 115.31 122.97 2b5a h LEU 15 Ca 0.09 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2b5a h LEU 15 Cb 0.77 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 2b5a h LEU 15 CO 0.06 0.22 0.38 0.50 -0.34 0.00 0.00 178.44 179.26 2b5a h LYS 16 N 0.16 0.72 -0.01 1.25 3.64 -1.12 -0.32 116.57 120.89 2b5a h LYS 16 Ca 0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2b5a h LYS 16 Cb 0.07 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2b5a h LYS 16 CO -0.01 0.48 0.01 -0.22 -2.27 0.00 0.00 179.45 177.43 2b5a h LYS 17 N 0.74 0.02 -0.30 1.90 3.64 -0.78 -1.21 116.57 120.58 2b5a h LYS 17 Ca 0.25 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2b5a h LYS 17 Cb 0.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2b5a h LYS 17 CO -0.11 0.10 0.03 0.82 -2.27 0.00 0.00 179.45 178.02 2b5a h ILE 18 N -0.07 1.24 -0.62 2.00 2.04 -0.76 -0.59 117.51 120.75 2b5a h ILE 18 Ca 0.00 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.04 2b5a h ILE 18 Cb 0.09 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2b5a h ILE 18 CO -0.00 0.27 0.39 -0.09 0.00 0.00 0.00 178.15 178.72 2b5a h ARG 19 N 0.31 0.74 -0.39 2.37 2.43 -1.03 -1.75 114.38 117.06 2b5a h ARG 19 Ca 0.09 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 2b5a h ARG 19 Cb 0.37 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2b5a h ARG 19 CO 0.01 0.49 -0.38 1.79 -1.51 0.00 0.00 179.97 180.37 2b5a h THR 20 N 0.76 1.27 -0.89 0.20 1.35 -1.07 -1.00 112.91 113.52 2b5a h THR 20 Ca 0.25 -1.55 0.10 0.00 -0.55 0.00 0.00 66.41 64.65 2b5a h THR 20 Cb 0.01 1.36 -0.08 0.00 -1.73 0.00 0.00 68.15 67.71 2b5a h THR 20 CO -0.10 0.52 0.54 1.56 -0.25 0.00 0.00 175.52 177.79 2b5a h GLN 21 N 0.78 0.86 -0.05 4.72 4.20 -0.83 -1.27 115.11 123.52 2b5a h GLN 21 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2b5a h GLN 21 Cb 0.98 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2b5a h GLN 21 CO 0.09 0.57 0.00 1.63 -0.67 0.00 0.00 178.83 180.46 2b5a n LYS 22 N -4.68 1.22 -1.87 1.46 5.02 -0.68 -4.92 118.16 113.72 2b5a n LYS 22 Ca 0.15 -0.33 -0.09 0.00 -2.02 0.00 0.00 58.31 56.02 2b5a n LYS 22 Cb 0.29 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 2b5a n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b5a n GLY 23 N 0.89 0.35 3.38 0.72 0.00 -0.48 -5.01 105.19 105.04 2b5a n GLY 23 Ca 0.14 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2b5a n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b5a s VAL 24 N -2.40 3.74 0.77 1.61 1.01 -0.43 -5.03 120.40 119.68 2b5a s VAL 24 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 2b5a s VAL 24 Cb 0.00 -2.71 0.06 0.00 0.00 0.00 0.00 36.38 33.73 2b5a s VAL 24 CO 0.00 0.41 1.08 -0.94 0.00 0.00 0.00 175.10 175.65 2b5a s SER 25 N 1.33 4.64 0.26 3.32 1.04 -1.26 -4.28 113.70 118.75 2b5a s SER 25 Ca 0.04 1.52 -0.03 0.00 0.48 0.00 0.00 55.95 57.96 2b5a s SER 25 Cb -0.15 -2.29 0.41 0.00 0.10 0.00 0.00 66.02 64.10 2b5a s SER 25 CO 0.00 -1.90 1.85 1.56 0.98 0.00 0.00 173.24 175.73 2b5a h GLN 26 N -1.04 1.00 -0.51 4.02 4.20 -1.97 -0.51 115.11 120.30 2b5a h GLN 26 Ca -0.46 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 2b5a h GLN 26 Cb 1.25 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 2b5a h GLN 26 CO 0.56 0.66 0.20 1.49 -0.67 0.00 0.00 178.83 181.07 2b5a h GLU 27 N 1.03 0.76 -0.49 1.46 4.57 -1.92 -1.12 114.58 118.86 2b5a h GLU 27 Ca 0.42 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 58.36 2b5a h GLU 27 Cb 0.25 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2b5a h GLU 27 CO -0.20 0.67 -0.08 1.49 -1.18 0.00 0.00 179.01 179.71 2b5a h GLU 28 N 0.68 0.92 -0.89 1.92 4.81 -1.83 -1.15 114.58 119.04 2b5a h GLU 28 Ca 0.17 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2b5a h GLU 28 Cb 0.20 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2b5a h GLU 28 CO -0.01 0.99 0.56 1.25 -0.73 0.00 0.00 179.01 181.07 2b5a h LEU 29 N 0.78 1.06 -0.18 1.64 5.85 -0.84 0.26 115.31 123.89 2b5a h LEU 29 Ca 0.13 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2b5a h LEU 29 Cb 0.63 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2b5a h LEU 29 CO 0.04 0.80 0.05 0.00 -0.34 0.00 0.00 178.44 178.99 2b5a h ALA 30 N 1.30 0.19 -0.16 1.25 0.00 -0.91 0.36 119.26 121.29 2b5a h ALA 30 Ca 0.32 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.29 2b5a h ALA 30 Cb -0.08 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2b5a h ALA 30 CO -0.06 -0.39 -0.04 -0.44 0.00 0.00 0.00 179.25 178.32 2b5a h ASP 31 N 0.12 -0.14 -0.31 0.00 3.32 -0.71 -0.68 116.42 118.02 2b5a h ASP 31 Ca 0.08 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2b5a h ASP 31 Cb 0.06 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2b5a h ASP 31 CO -0.09 -0.05 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.08 2b5a h LEU 32 N 0.00 0.81 -0.98 1.55 3.38 -0.61 -3.14 115.31 116.33 2b5a h LEU 32 Ca 0.08 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2b5a h LEU 32 Cb 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2b5a h LEU 32 CO -0.17 1.01 -0.11 0.00 0.09 0.00 0.00 178.44 179.27 2b5a n ALA 33 N -2.50 2.78 -3.34 1.53 0.00 0.08 -4.84 120.51 114.22 2b5a n ALA 33 Ca 0.00 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 2b5a n ALA 33 Cb 0.44 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 18.88 2b5a n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b5a n GLY 34 N 1.27 -0.23 3.46 0.00 0.00 -0.37 -4.85 105.19 104.47 2b5a n GLY 34 Ca 0.16 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2b5a n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b5a s LEU 35 N -5.92 2.36 0.27 0.99 1.43 -0.58 -5.05 118.68 112.16 2b5a s LEU 35 Ca 0.42 -1.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.03 2b5a s LEU 35 Cb -0.18 -0.51 -0.08 0.00 0.03 0.00 0.00 46.19 45.44 2b5a s LEU 35 CO 0.58 -0.51 0.72 -1.00 0.23 0.00 0.00 176.35 176.36 2b5a s HIS 36 N -3.15 3.51 0.24 0.29 3.76 -1.26 -4.32 115.29 114.36 2b5a s HIS 36 Ca 0.34 1.28 -0.05 0.00 -0.15 0.00 0.00 55.06 56.48 2b5a s HIS 36 Cb 0.07 -2.56 0.36 0.00 1.11 0.00 0.00 32.58 31.57 2b5a s HIS 36 CO 0.15 0.22 1.83 -0.09 -0.85 0.00 0.00 174.74 176.00 2b5a h ARG 37 N 2.85 0.87 -0.86 1.40 2.43 -1.91 -1.96 114.38 117.20 2b5a h ARG 37 Ca -0.48 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 2b5a h ARG 37 Cb 1.18 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 2b5a h ARG 37 CO 0.65 0.58 0.49 1.79 -1.51 0.00 0.00 179.97 181.97 2b5a h THR 38 N 0.90 1.25 -0.30 0.20 1.35 -1.95 -0.85 112.91 113.50 2b5a h THR 38 Ca 0.38 -0.58 0.02 0.00 -0.55 0.00 0.00 66.41 65.68 2b5a h THR 38 Cb 0.25 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.70 2b5a h THR 38 CO -0.20 0.27 0.16 0.22 -0.25 0.00 0.00 175.52 175.71 2b5a h TYR 39 N 1.20 0.29 -0.66 4.73 3.20 -1.77 -0.09 116.97 123.87 2b5a h TYR 39 Ca 0.31 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.24 2b5a h TYR 39 Cb -0.01 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 2b5a h TYR 39 CO 0.01 0.16 0.38 0.82 -1.64 0.00 0.00 178.16 177.89 2b5a h ILE 40 N 0.32 1.01 -0.48 1.81 1.08 -0.89 0.11 117.51 120.48 2b5a h ILE 40 Ca 0.12 -0.25 -0.04 0.00 -0.39 0.00 0.00 64.86 64.31 2b5a h ILE 40 Cb 0.03 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 2b5a h ILE 40 CO -0.08 0.13 0.15 -1.28 -0.69 0.00 0.00 178.15 176.39 2b5a h SER 41 N 0.72 0.70 -0.54 1.72 0.87 -0.74 -0.21 113.55 116.08 2b5a h SER 41 Ca 0.28 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2b5a h SER 41 Cb 0.12 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2b5a h SER 41 CO -0.15 0.72 0.26 -0.33 -0.53 0.00 0.00 176.83 176.79 2b5a h GLU 42 N 0.64 0.78 -0.54 2.24 5.08 -0.48 -2.04 114.58 120.26 2b5a h GLU 42 Ca 0.16 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2b5a h GLU 42 Cb 0.27 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2b5a h GLU 42 CO -0.01 0.65 0.25 0.28 -1.00 0.00 0.00 179.01 179.18 2b5a h VAL 43 N 0.73 1.20 -0.17 3.13 2.07 -0.45 -0.67 116.25 122.09 2b5a h VAL 43 Ca 0.19 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2b5a h VAL 43 Cb 0.12 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2b5a h VAL 43 CO -0.02 0.23 0.07 -0.33 0.02 0.00 0.00 177.57 177.54 2b5a h GLU 44 N 0.72 0.23 0.00 1.57 5.08 -0.76 -0.90 114.58 120.51 2b5a h GLU 44 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2b5a h GLU 44 Cb 0.13 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2b5a h GLU 44 CO -0.02 0.19 -0.06 -2.13 -1.00 0.00 0.00 179.01 175.99 2b5a n ARG 45 N -4.47 0.00 -0.94 2.33 0.63 -0.79 -3.75 116.66 109.67 2b5a n ARG 45 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2b5a n ARG 45 Cb 0.11 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.52 2b5a n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2b5a n GLY 46 N 1.50 0.43 0.59 5.14 0.00 -0.34 -4.79 105.19 107.71 2b5a n GLY 46 Ca 0.07 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.30 2b5a n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b5a n ASP 47 N 1.66 1.82 -4.28 1.61 8.00 -0.31 -4.62 116.55 120.43 2b5a n ASP 47 Ca 0.00 -1.65 -0.15 0.00 0.71 0.00 0.00 54.79 53.70 2b5a n ASP 47 Cb 0.00 -0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 40.95 2b5a n ASP 47 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2b5a s ARG 48 N -1.90 1.14 -0.77 -1.24 1.81 -1.25 -4.94 118.95 111.80 2b5a s ARG 48 Ca 0.35 -1.49 -0.05 0.00 -1.72 0.00 0.00 55.73 52.82 2b5a s ARG 48 Cb 0.20 -0.78 0.20 0.00 -0.45 0.00 0.00 34.95 34.11 2b5a s ARG 48 CO 0.31 0.11 0.64 1.21 -0.68 0.00 0.00 175.30 176.88 2b5a s ASN 49 N -3.21 5.84 0.31 0.23 2.47 -1.26 -4.91 114.94 114.41 2b5a s ASN 49 Ca 0.18 -3.12 -0.29 0.00 0.42 0.00 0.00 52.86 50.05 2b5a s ASN 49 Cb 0.01 -1.95 -0.11 0.00 -1.45 0.00 0.00 41.25 37.75 2b5a s ASN 49 CO 0.02 -0.35 1.52 -0.51 -3.72 0.00 0.00 177.10 174.07 2b5a s ILE 50 N -0.47 2.19 0.60 -5.21 2.07 -1.26 -4.96 121.20 114.16 2b5a s ILE 50 Ca 0.21 0.17 -0.15 0.00 -1.41 0.00 0.00 60.65 59.48 2b5a s ILE 50 Cb -0.14 -3.11 -0.03 0.00 0.13 0.00 0.00 42.46 39.30 2b5a s ILE 50 CO -0.07 0.03 1.04 -0.94 -1.91 0.00 0.00 174.94 173.09 2b5a s SER 51 N 0.22 5.87 0.24 4.50 1.04 -1.26 -4.85 113.70 119.46 2b5a s SER 51 Ca 0.59 1.72 -0.07 0.00 0.48 0.00 0.00 55.95 58.66 2b5a s SER 51 Cb -0.46 -2.52 0.42 0.00 0.10 0.00 0.00 66.02 63.56 2b5a s SER 51 CO 0.52 -1.11 1.67 0.25 0.98 0.00 0.00 173.24 175.55 2b5a h LEU 52 N 0.26 -0.14 -0.50 2.42 5.85 -1.99 0.05 115.31 121.26 2b5a h LEU 52 Ca -0.46 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.43 2b5a h LEU 52 Cb 1.21 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 2b5a h LEU 52 CO 0.58 -0.09 0.32 0.40 -0.34 0.00 0.00 178.44 179.31 2b5a h ILE 53 N 0.19 1.10 -0.03 4.05 1.08 -1.99 -0.61 117.51 121.30 2b5a h ILE 53 Ca 0.39 -0.22 -0.15 0.00 -0.39 0.00 0.00 64.86 64.49 2b5a h ILE 53 Cb 0.68 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 2b5a h ILE 53 CO -0.55 0.12 -0.67 0.78 -0.69 0.00 0.00 178.15 177.13 2b5a h ASN 54 N 0.65 0.15 -0.36 1.72 2.35 -1.75 -0.80 115.58 117.53 2b5a h ASN 54 Ca 0.19 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 2b5a h ASN 54 Cb -0.04 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 2b5a h ASN 54 CO -0.06 0.78 0.03 0.40 -1.65 0.00 0.00 177.43 176.92 2b5a h ILE 55 N 0.09 0.76 -0.11 2.81 2.04 -0.64 -0.74 117.51 121.71 2b5a h ILE 55 Ca -0.01 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2b5a h ILE 55 Cb 1.20 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2b5a h ILE 55 CO 0.10 0.02 -0.02 -0.74 0.00 0.00 0.00 178.15 177.51 2b5a h HIS 56 N 0.13 -0.04 -0.55 1.37 2.76 -0.70 -1.05 115.15 117.07 2b5a h HIS 56 Ca 0.18 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2b5a h HIS 56 Cb 0.23 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 2b5a h HIS 56 CO -0.23 -0.03 0.28 0.87 -1.30 0.00 0.00 177.93 177.52 2b5a h LYS 57 N 0.01 0.78 -0.32 5.26 1.57 -0.90 -0.76 116.57 122.21 2b5a h LYS 57 Ca 0.05 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2b5a h LYS 57 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2b5a h LYS 57 CO -0.10 0.62 -0.04 0.82 -0.57 0.00 0.00 179.45 180.18 2b5a h ILE 58 N 0.74 1.27 -0.53 1.86 2.04 -0.92 -0.98 117.51 120.98 2b5a h ILE 58 Ca 0.19 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 2b5a h ILE 58 Cb 0.08 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2b5a h ILE 58 CO -0.03 0.34 0.16 0.00 0.00 0.00 0.00 178.15 178.62 2b5a h ALA 60 N 1.02 0.62 -0.54 0.00 0.00 -1.05 -1.18 119.26 118.13 2b5a h ALA 60 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2b5a h ALA 60 Cb 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2b5a h ALA 60 CO -0.00 0.08 0.34 0.00 0.00 0.00 0.00 179.25 179.67 2b5a h ALA 61 N 1.17 1.59 -0.20 0.00 0.00 -0.81 -1.23 119.26 119.77 2b5a h ALA 61 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2b5a h ALA 61 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2b5a h ALA 61 CO -0.04 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.87 2b5a n LEU 62 N -4.44 1.87 -3.76 0.00 4.77 -0.59 -4.95 117.00 109.90 2b5a n LEU 62 Ca 0.05 -0.80 -0.30 0.00 -0.03 0.00 0.00 56.01 54.93 2b5a n LEU 62 Cb 0.06 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2b5a n LEU 62 CO 0.36 0.40 -0.11 -0.67 -1.33 0.00 0.00 177.39 176.04 2b5a n ASP 63 N 0.46 -3.94 -3.81 -1.43 2.03 -0.47 -5.01 116.55 104.39 2b5a n ASP 63 Ca 0.16 -1.02 -0.16 0.00 0.52 0.00 0.00 54.79 54.30 2b5a n ASP 63 Cb 0.36 -3.26 -0.16 0.00 -0.72 0.00 0.00 41.12 37.34 2b5a n ASP 63 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2b5a s ILE 64 N -3.59 0.07 0.44 5.18 2.07 -0.67 -5.05 121.20 119.65 2b5a s ILE 64 Ca 0.35 0.12 -0.25 0.00 -1.41 0.00 0.00 60.65 59.45 2b5a s ILE 64 Cb -0.13 -0.17 -0.08 0.00 0.13 0.00 0.00 42.46 42.22 2b5a s ILE 64 CO 0.87 0.10 1.35 -2.84 -1.91 0.00 0.00 174.94 172.51 2b5a s PRO 65 N 0.87 3.78 0.34 3.50 0.02 -1.26 -4.35 135.00 137.90 2b5a s PRO 65 Ca -0.08 2.25 0.08 0.00 0.02 0.00 0.00 61.00 63.26 2b5a s PRO 65 Cb -0.11 -2.66 0.77 0.00 0.02 0.00 0.00 34.50 32.52 2b5a s PRO 65 CO -0.02 -0.68 1.85 0.00 -0.33 0.00 0.00 177.00 177.82 2b5a h ALA 66 N 2.40 1.78 -0.71 -1.55 0.00 -1.94 -0.86 119.26 118.38 2b5a h ALA 66 Ca -0.50 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2b5a h ALA 66 Cb 1.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2b5a h ALA 66 CO 0.61 -0.04 0.46 0.66 0.00 0.00 0.00 179.25 180.95 2b5a h SER 67 N 0.74 0.79 -0.38 0.00 4.64 -1.99 0.35 113.55 117.70 2b5a h SER 67 Ca 0.47 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.67 2b5a h SER 67 Cb 0.72 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2b5a h SER 67 CO -0.23 0.56 -0.16 0.74 -0.87 0.00 0.00 176.83 176.87 2b5a h THR 68 N 0.93 1.28 -0.14 2.95 2.02 -1.68 -0.61 112.91 117.67 2b5a h THR 68 Ca 0.27 -1.28 0.04 0.00 0.77 0.00 0.00 66.41 66.21 2b5a h THR 68 Cb -0.07 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 2b5a h THR 68 CO -0.07 0.43 -0.14 0.15 0.37 0.00 0.00 175.52 176.25 2b5a h PHE 69 N 0.59 -0.35 -0.03 3.16 3.57 -0.79 -1.69 116.94 121.41 2b5a h PHE 69 Ca 0.09 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2b5a h PHE 69 Cb 0.70 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2b5a h PHE 69 CO 0.06 -0.20 -0.37 0.74 -2.23 0.00 0.00 178.31 176.30 2b5a h PHE 70 N -0.16 0.06 -0.71 0.41 0.04 -0.73 -1.40 116.94 114.45 2b5a h PHE 70 Ca 0.09 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2b5a h PHE 70 Cb 0.30 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2b5a h PHE 70 CO -0.26 0.42 0.42 -0.09 -0.60 0.00 0.00 178.31 178.21 2b5a h ARG 71 N 0.05 0.97 -0.61 1.51 2.43 -0.71 0.11 114.38 118.13 2b5a h ARG 71 Ca 0.00 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 2b5a h ARG 71 Cb 0.69 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2b5a h ARG 71 CO 0.05 0.69 0.18 0.87 -1.51 0.00 0.00 179.97 180.25 2b5a h LYS 72 N 0.97 0.95 -0.38 0.20 1.57 -0.69 -2.50 116.57 116.70 2b5a h LYS 72 Ca 0.25 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2b5a h LYS 72 Cb -0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2b5a h LYS 72 CO -0.05 0.85 0.15 1.98 -0.57 0.00 0.00 179.45 181.82 2b5a h MET 73 N 0.87 0.53 0.00 3.15 4.05 -0.87 -2.44 114.93 120.23 2b5a h MET 73 Ca 0.20 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 2b5a h MET 73 Cb 0.31 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2b5a h MET 73 CO -0.00 0.44 0.00 0.93 0.23 0.00 0.00 176.91 178.51 2b5a h GLU 74 N 0.53 0.00 0.00 0.39 5.08 -0.59 -3.49 114.58 116.50 2b5a h GLU 74 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2b5a h GLU 74 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2b5a h GLU 74 CO -0.01 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.39