#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 3.03 -0.61 1.12 1.01 -1.26 -4.99 121.20 119.49 2b5a s ILE 2 Ca 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 60.65 61.39 2b5a s ILE 2 Cb 0.00 -3.50 0.16 0.00 0.01 0.00 0.00 42.46 39.13 2b5a s ILE 2 CO 0.00 0.08 0.44 0.21 0.00 0.00 0.00 174.94 175.67 2b5a s ASN 3 N 0.81 5.37 0.25 3.58 3.84 -1.26 -4.96 114.94 122.57 2b5a s ASN 3 Ca 0.63 -2.72 -0.04 0.00 0.21 0.00 0.00 52.86 50.94 2b5a s ASN 3 Cb -0.39 -1.88 0.36 0.00 -0.55 0.00 0.00 41.25 38.79 2b5a s ASN 3 CO 0.34 -0.42 1.85 -0.33 -2.79 0.00 0.00 177.10 175.76 2b5a h GLU 4 N 7.25 0.97 -0.25 0.43 5.08 -1.99 -1.73 114.58 124.32 2b5a h GLU 4 Ca -0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2b5a h GLU 4 Cb 0.97 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2b5a h GLU 4 CO 0.72 0.64 0.12 0.82 -1.00 0.00 0.00 179.01 180.31 2b5a h ILE 5 N 0.99 1.15 -0.68 3.13 2.04 -1.95 -1.37 117.51 120.82 2b5a h ILE 5 Ca 0.39 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 2b5a h ILE 5 Cb 0.20 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2b5a h ILE 5 CO -0.18 0.15 0.21 -0.08 0.00 0.00 0.00 178.15 178.25 2b5a h GLU 6 N 0.27 1.05 -0.01 2.37 4.57 -1.89 0.36 114.58 121.30 2b5a h GLU 6 Ca 0.09 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 2b5a h GLU 6 Cb 0.13 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2b5a h GLU 6 CO -0.01 0.92 -0.04 0.82 -1.18 0.00 0.00 179.01 179.52 2b5a h ILE 7 N 0.99 0.90 -0.58 2.32 2.04 -1.02 0.15 117.51 122.31 2b5a h ILE 7 Ca 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 2b5a h ILE 7 Cb 0.30 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2b5a h ILE 7 CO -0.01 0.00 0.29 0.11 0.00 0.00 0.00 178.15 178.54 2b5a h LYS 8 N -0.06 0.83 -0.35 2.37 1.57 -1.08 -2.04 116.57 117.81 2b5a h LYS 8 Ca 0.02 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 2b5a h LYS 8 Cb 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2b5a h LYS 8 CO -0.05 0.66 -0.24 0.00 -0.57 0.00 0.00 179.45 179.25 2b5a h ARG 9 N 0.78 0.69 -0.63 3.15 3.08 -0.74 -1.63 114.38 119.08 2b5a h ARG 9 Ca 0.20 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2b5a h ARG 9 Cb 0.10 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2b5a h ARG 9 CO -0.03 0.87 0.28 -0.22 -1.07 0.00 0.00 179.97 179.80 2b5a h LYS 10 N 0.60 0.93 -0.47 0.04 3.64 -0.57 0.95 116.57 121.69 2b5a h LYS 10 Ca 0.08 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2b5a h LYS 10 Cb 0.73 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 2b5a h LYS 10 CO 0.06 0.76 0.24 0.35 -2.27 0.00 0.00 179.45 178.58 2b5a h PHE 11 N 0.88 0.43 -0.60 1.91 3.57 -1.17 -1.37 116.94 120.58 2b5a h PHE 11 Ca 0.21 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 2b5a h PHE 11 Cb 0.16 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2b5a h PHE 11 CO 0.01 0.21 -0.02 0.78 -2.23 0.00 0.00 178.31 177.06 2b5a h GLY 12 N 0.47 1.15 1.01 2.40 0.00 -0.73 -0.62 103.07 106.74 2b5a h GLY 12 Ca 0.21 -0.86 0.01 0.00 0.00 0.00 0.00 47.33 46.69 2b5a h GLY 12 CO -0.15 0.79 0.52 3.21 0.00 0.00 0.00 176.54 180.91 2b5a h ARG 13 N 0.97 1.04 -0.51 4.80 3.08 -0.65 -0.81 114.38 122.30 2b5a h ARG 13 Ca 0.17 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 2b5a h ARG 13 Cb 0.58 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2b5a h ARG 13 CO 0.03 0.69 -0.14 1.15 -1.07 0.00 0.00 179.97 180.63 2b5a h THR 14 N 1.07 1.27 -0.17 2.04 2.02 -0.95 -1.43 112.91 116.77 2b5a h THR 14 Ca 0.29 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 2b5a h THR 14 Cb -0.12 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2b5a h THR 14 CO -0.06 0.45 0.07 0.25 0.37 0.00 0.00 175.52 176.60 2b5a h LEU 15 N 0.85 0.22 -0.66 2.58 5.85 -0.80 -0.86 115.31 122.48 2b5a h LEU 15 Ca 0.13 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2b5a h LEU 15 Cb 0.71 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 2b5a h LEU 15 CO 0.05 0.30 0.39 0.50 -0.34 0.00 0.00 178.44 179.34 2b5a h LYS 16 N 0.13 0.73 -0.14 1.25 3.64 -1.02 0.18 116.57 121.33 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 0.14 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2b5a h LYS 16 CO -0.01 0.48 0.07 -0.22 -2.27 0.00 0.00 179.45 177.51 2b5a h LYS 17 N 0.75 0.20 -0.25 1.90 3.64 -1.00 -1.06 116.57 120.75 2b5a h LYS 17 Ca 0.28 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 2b5a h LYS 17 Cb 0.10 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2b5a h LYS 17 CO -0.14 0.23 -0.04 0.82 -2.27 0.00 0.00 179.45 178.05 2b5a h ILE 18 N 0.12 1.27 -0.50 2.00 2.04 -0.85 -0.83 117.51 120.76 2b5a h ILE 18 Ca 0.05 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.91 2b5a h ILE 18 Cb 0.09 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2b5a h ILE 18 CO -0.01 0.32 0.30 -0.09 0.00 0.00 0.00 178.15 178.67 2b5a h ARG 19 N 0.23 0.59 -0.47 2.37 2.43 -0.60 -1.58 114.38 117.34 2b5a h ARG 19 Ca 0.07 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 2b5a h ARG 19 Cb 0.49 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2b5a h ARG 19 CO 0.02 0.39 -0.22 1.79 -1.51 0.00 0.00 179.97 180.44 2b5a h THR 20 N 0.61 1.27 -0.98 0.20 1.35 -1.13 -1.88 112.91 112.35 2b5a h THR 20 Ca 0.20 -1.38 0.10 0.00 -0.55 0.00 0.00 66.41 64.78 2b5a h THR 20 Cb 0.00 1.15 -0.08 0.00 -1.73 0.00 0.00 68.15 67.49 2b5a h THR 20 CO -0.08 0.48 0.62 1.56 -0.25 0.00 0.00 175.52 177.85 2b5a h GLN 21 N 0.84 0.97 -0.00 4.72 4.20 -0.96 -1.64 115.11 123.23 2b5a h GLN 21 Ca 0.11 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2b5a h GLN 21 Cb 0.80 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2b5a h GLN 21 CO 0.07 0.64 -0.05 1.63 -0.67 0.00 0.00 178.83 180.45 2b5a n LYS 22 N -4.57 0.91 -2.24 1.46 5.02 -0.61 -4.92 118.16 113.20 2b5a n LYS 22 Ca 0.17 -0.25 -0.10 0.00 -2.02 0.00 0.00 58.31 56.12 2b5a n LYS 22 Cb 0.31 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.18 -0.01 3.57 0.72 0.00 -0.62 -5.02 105.19 105.01 2b5a n GLY 23 Ca 0.18 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.53 4.35 0.74 1.61 1.01 -0.78 -5.04 120.40 119.76 2b5a s VAL 24 Ca 0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 2b5a s VAL 24 Cb -0.01 -2.93 0.04 0.00 0.00 0.00 0.00 36.38 33.47 2b5a s VAL 24 CO 0.02 0.48 1.09 -0.94 0.00 0.00 0.00 175.10 175.75 2b5a s SER 25 N 0.34 5.03 0.22 3.32 1.04 -1.26 -4.42 113.70 117.97 2b5a s SER 25 Ca -0.00 1.30 -0.07 0.00 0.48 0.00 0.00 55.95 57.65 2b5a s SER 25 Cb -0.13 -2.09 0.30 0.00 0.10 0.00 0.00 66.02 64.20 2b5a s SER 25 CO 0.01 -1.63 1.81 1.56 0.98 0.00 0.00 173.24 175.98 2b5a h GLN 26 N -0.85 0.72 -0.48 4.02 4.20 -1.97 -0.19 115.11 120.56 2b5a h GLN 26 Ca -0.46 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 2b5a h GLN 26 Cb 1.25 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 2b5a h GLN 26 CO 0.61 0.47 0.06 1.49 -0.67 0.00 0.00 178.83 180.80 2b5a h GLU 27 N 0.74 0.80 -0.17 1.46 4.57 -1.93 0.39 114.58 120.45 2b5a h GLU 27 Ca 0.34 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2b5a h GLU 27 Cb 0.25 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2b5a h GLU 27 CO -0.21 0.81 0.10 1.49 -1.18 0.00 0.00 179.01 180.02 2b5a h GLU 28 N 0.67 0.23 -0.52 1.92 4.81 -1.85 -0.57 114.58 119.27 2b5a h GLU 28 Ca 0.14 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2b5a h GLU 28 Cb 0.41 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2b5a h GLU 28 CO 0.01 0.21 0.33 1.25 -0.73 0.00 0.00 179.01 180.08 2b5a h LEU 29 N 0.18 0.55 -0.48 1.64 5.85 -0.84 0.13 115.31 122.34 2b5a h LEU 29 Ca 0.06 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2b5a h LEU 29 Cb 0.05 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2b5a h LEU 29 CO -0.01 0.39 0.14 0.00 -0.34 0.00 0.00 178.44 178.62 2b5a h ALA 30 N 1.21 0.57 -0.07 1.25 0.00 -0.67 -0.27 119.26 121.28 2b5a h ALA 30 Ca 0.20 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2b5a h ALA 30 Cb -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2b5a h ALA 30 CO -0.07 -0.26 0.03 0.22 0.00 0.00 0.00 179.25 179.17 2b5a h ASP 31 N 0.30 0.10 -0.46 0.00 3.58 -0.55 0.83 116.42 120.21 2b5a h ASP 31 Ca 0.23 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2b5a h ASP 31 Cb 0.27 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2b5a h ASP 31 CO -0.26 0.26 0.22 -0.07 -2.88 0.00 0.00 179.24 176.50 2b5a h LEU 32 N -0.06 0.65 -0.46 2.28 3.38 -0.69 -2.71 115.31 117.69 2b5a h LEU 32 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2b5a h LEU 32 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2b5a h LEU 32 CO -0.00 0.57 -0.35 0.00 0.09 0.00 0.00 178.44 178.75 2b5a n ALA 33 N -2.46 3.26 -2.90 1.53 0.00 -0.14 -4.83 120.51 114.97 2b5a n ALA 33 Ca 0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2b5a n ALA 33 Cb 0.14 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 1.38 0.04 3.49 0.00 0.00 -0.23 -4.89 105.19 104.98 2b5a n GLY 34 Ca 0.11 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.32 2.56 0.28 0.99 1.43 0.12 -5.04 118.68 114.70 2b5a s LEU 35 Ca 0.25 -1.25 -0.29 0.00 -1.03 0.00 0.00 54.13 51.81 2b5a s LEU 35 Cb -0.11 -0.73 -0.09 0.00 0.03 0.00 0.00 46.19 45.28 2b5a s LEU 35 CO 0.31 -0.37 0.99 -1.00 0.23 0.00 0.00 176.35 176.52 2b5a s HIS 36 N -2.90 3.77 0.26 0.29 3.76 -1.26 -4.29 115.29 114.92 2b5a s HIS 36 Ca 0.32 1.82 -0.04 0.00 -0.15 0.00 0.00 55.06 57.01 2b5a s HIS 36 Cb 0.05 -3.07 0.34 0.00 1.11 0.00 0.00 32.58 31.01 2b5a s HIS 36 CO 0.15 0.06 1.92 -0.09 -0.85 0.00 0.00 174.74 175.93 2b5a h ARG 37 N 3.78 1.23 -0.79 1.40 2.43 -1.91 -1.42 114.38 119.10 2b5a h ARG 37 Ca -0.46 -0.07 0.09 0.00 -0.81 0.00 0.00 59.98 58.72 2b5a h ARG 37 Cb 1.20 -0.28 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 2b5a h ARG 37 CO 0.67 0.81 0.52 1.79 -1.51 0.00 0.00 179.97 182.25 2b5a h THR 38 N 1.27 0.98 -0.10 0.20 1.35 -1.95 -0.68 112.91 113.97 2b5a h THR 38 Ca 0.38 -0.26 -0.06 0.00 -0.55 0.00 0.00 66.41 65.91 2b5a h THR 38 Cb -0.05 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.51 2b5a h THR 38 CO -0.11 0.14 -0.17 0.22 -0.25 0.00 0.00 175.52 175.35 2b5a h TYR 39 N 0.77 0.37 -0.50 4.73 3.20 -1.69 -0.51 116.97 123.34 2b5a h TYR 39 Ca 0.36 -0.13 0.09 0.00 3.14 0.00 0.00 58.73 62.19 2b5a h TYR 39 Cb 0.38 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 2b5a h TYR 39 CO -0.00 0.77 0.04 0.82 -1.64 0.00 0.00 178.16 178.15 2b5a h ILE 40 N -0.13 0.65 -0.38 1.81 1.08 -0.80 1.00 117.51 120.74 2b5a h ILE 40 Ca 0.01 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2b5a h ILE 40 Cb 0.74 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 2b5a h ILE 40 CO 0.04 0.03 0.24 -1.28 -0.69 0.00 0.00 178.15 176.49 2b5a h SER 41 N 0.16 0.45 -0.56 1.72 0.87 -1.03 -0.47 113.55 114.69 2b5a h SER 41 Ca 0.25 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 2b5a h SER 41 Cb 0.36 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 2b5a h SER 41 CO -0.38 0.35 0.31 -0.33 -0.53 0.00 0.00 176.83 176.26 2b5a h GLU 42 N 0.50 0.59 -0.73 2.24 5.08 -0.60 -2.31 114.58 119.35 2b5a h GLU 42 Ca 0.14 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2b5a h GLU 42 Cb -0.02 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 2b5a h GLU 42 CO -0.03 0.39 0.46 0.28 -1.00 0.00 0.00 179.01 179.11 2b5a h VAL 43 N 0.61 1.20 0.00 3.13 2.07 -0.49 0.19 116.25 122.97 2b5a h VAL 43 Ca 0.24 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2b5a h VAL 43 Cb 0.09 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2b5a h VAL 43 CO -0.14 0.20 -0.03 -0.33 0.02 0.00 0.00 177.57 177.30 2b5a h GLU 44 N 0.99 0.00 -0.12 1.57 5.08 -0.69 -0.26 114.58 121.16 2b5a h GLU 44 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2b5a h GLU 44 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2b5a h GLU 44 CO -0.05 0.03 0.00 0.54 -1.00 0.00 0.00 179.01 178.53 2b5a n ARG 45 N -3.91 2.03 -1.14 2.33 1.74 -0.68 -3.69 116.66 113.34 2b5a n ARG 45 Ca -0.03 -1.52 -0.05 0.00 -0.77 0.00 0.00 57.85 55.48 2b5a n ARG 45 Cb 0.12 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 2b5a n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b5a n GLY 46 N 1.28 0.76 0.19 -0.13 0.00 -0.11 -4.74 105.19 102.44 2b5a n GLY 46 Ca 0.17 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.60 2b5a n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2b5a h ASP 47 N 0.00 0.00 -2.77 1.61 3.32 -1.22 -3.42 116.42 113.94 2b5a h ASP 47 Ca -0.10 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.36 2b5a h ASP 47 Cb 0.35 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.81 2b5a h ASP 47 CO 0.15 0.00 -0.61 -0.13 -1.72 0.00 0.00 179.24 176.93 2b5a s ARG 48 N -3.21 2.66 -1.51 3.56 1.81 -1.26 -4.99 118.95 116.01 2b5a s ARG 48 Ca 0.08 -0.99 -0.08 0.00 -1.72 0.00 0.00 55.73 53.01 2b5a s ARG 48 Cb 0.07 -2.50 -0.01 0.00 -0.45 0.00 0.00 34.95 32.06 2b5a s ARG 48 CO 0.64 0.47 2.74 -1.71 -0.68 0.00 0.00 175.30 176.75 2b5a n ASN 49 N -0.26 8.46 -4.76 0.23 5.15 -1.26 -4.96 115.26 117.86 2b5a n ASN 49 Ca -0.09 -2.79 -0.41 0.00 -0.60 0.00 0.00 54.58 50.69 2b5a n ASN 49 Cb 0.55 -1.49 -0.00 0.00 -0.53 0.00 0.00 39.78 38.31 2b5a n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2b5a n ILE 50 N 2.89 2.02 -4.50 -1.44 3.06 -1.26 -4.96 119.36 115.17 2b5a n ILE 50 Ca 0.72 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 60.23 2b5a n ILE 50 Cb 0.24 -1.90 -0.09 0.00 0.54 0.00 0.00 39.64 38.43 2b5a n ILE 50 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2b5a s SER 51 N -0.17 2.66 0.22 9.51 0.01 -1.26 -4.99 113.70 119.67 2b5a s SER 51 Ca 0.54 -1.55 -0.12 0.00 1.31 0.00 0.00 55.95 56.12 2b5a s SER 51 Cb -0.49 0.28 0.28 0.00 0.21 0.00 0.00 66.02 66.30 2b5a s SER 51 CO 0.63 -0.80 1.63 0.25 0.41 0.00 0.00 173.24 175.36 2b5a h LEU 52 N 1.90 -0.53 0.09 2.44 5.85 -1.99 -0.35 115.31 122.72 2b5a h LEU 52 Ca -0.38 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 2b5a h LEU 52 Cb 1.26 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.67 2b5a h LEU 52 CO 0.63 -0.20 -0.04 0.40 -0.34 0.00 0.00 178.44 178.88 2b5a h ILE 53 N 0.03 1.01 -0.19 4.05 2.04 -1.99 -1.22 117.51 121.24 2b5a h ILE 53 Ca 0.33 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 2b5a h ILE 53 Cb 0.52 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2b5a h ILE 53 CO -0.65 0.09 -0.26 0.78 0.00 0.00 0.00 178.15 178.11 2b5a h ASN 54 N -0.28 0.36 -0.26 1.72 2.35 -1.87 0.95 115.58 118.55 2b5a h ASN 54 Ca -0.01 -0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.68 2b5a h ASN 54 Cb 0.23 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 2b5a h ASN 54 CO 0.02 0.62 -0.07 0.40 -1.65 0.00 0.00 177.43 176.75 2b5a h ILE 55 N 0.32 0.73 -0.32 2.81 2.04 -0.84 -0.45 117.51 121.79 2b5a h ILE 55 Ca 0.05 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 2b5a h ILE 55 Cb 0.63 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2b5a h ILE 55 CO 0.05 0.00 -0.29 0.45 0.00 0.00 0.00 178.15 178.35 2b5a h HIS 56 N -0.01 0.78 -0.82 1.37 3.86 -0.37 -1.19 115.15 118.77 2b5a h HIS 56 Ca 0.13 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2b5a h HIS 56 Cb 0.20 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 2b5a h HIS 56 CO -0.26 0.89 0.49 0.87 0.86 0.00 0.00 177.93 180.78 2b5a h LYS 57 N 0.58 1.11 -0.18 2.45 1.57 -0.63 -0.37 116.57 121.11 2b5a h LYS 57 Ca 0.07 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2b5a h LYS 57 Cb 0.79 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2b5a h LYS 57 CO 0.07 0.79 -0.11 0.82 -0.57 0.00 0.00 179.45 180.44 2b5a h ILE 58 N 1.12 1.32 -0.76 1.86 2.04 -0.91 -1.38 117.51 120.80 2b5a h ILE 58 Ca 0.29 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 2b5a h ILE 58 Cb -0.04 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2b5a h ILE 58 CO -0.05 0.36 0.28 0.00 0.00 0.00 0.00 178.15 178.74 2b5a h ALA 60 N 1.15 1.02 -0.24 0.00 0.00 -1.02 -1.25 119.26 118.92 2b5a h ALA 60 Ca 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2b5a h ALA 60 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2b5a h ALA 60 CO -0.02 0.53 -0.10 0.00 0.00 0.00 0.00 179.25 179.67 2b5a h ALA 61 N 1.23 1.38 -0.33 0.00 0.00 -0.65 -1.97 119.26 118.93 2b5a h ALA 61 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2b5a h ALA 61 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2b5a h ALA 61 CO -0.05 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.91 2b5a n LEU 62 N -4.25 2.18 -3.82 0.00 4.77 -0.68 -4.95 117.00 110.25 2b5a n LEU 62 Ca 0.00 -1.01 -0.26 0.00 -0.03 0.00 0.00 56.01 54.71 2b5a n LEU 62 Cb 0.28 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2b5a n LEU 62 CO 0.39 0.51 0.02 -0.67 -1.33 0.00 0.00 177.39 176.31 2b5a n ASP 63 N 0.67 -3.13 -4.04 -1.43 2.03 -0.67 -4.99 116.55 104.99 2b5a n ASP 63 Ca 0.16 -0.80 -0.21 0.00 0.52 0.00 0.00 54.79 54.45 2b5a n ASP 63 Cb 0.38 -3.94 -0.15 0.00 -0.72 0.00 0.00 41.12 36.69 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 -3.48 0.91 0.47 5.18 2.07 -0.56 -5.04 121.20 120.74 2b5a s ILE 64 Ca 0.36 -0.46 -0.24 0.00 -1.41 0.00 0.00 60.65 58.91 2b5a s ILE 64 Cb -0.18 -0.78 -0.07 0.00 0.13 0.00 0.00 42.46 41.56 2b5a s ILE 64 CO 0.82 0.27 1.27 -2.84 -1.91 0.00 0.00 174.94 172.55 2b5a s PRO 65 N -0.04 3.65 0.31 3.50 0.02 -1.26 -4.24 135.00 136.95 2b5a s PRO 65 Ca 0.00 2.04 0.03 0.00 0.02 0.00 0.00 61.00 63.09 2b5a s PRO 65 Cb -0.07 -2.48 0.63 0.00 0.02 0.00 0.00 34.50 32.59 2b5a s PRO 65 CO 0.00 -0.72 1.87 0.00 -0.33 0.00 0.00 177.00 177.83 2b5a h ALA 66 N 2.09 1.61 -0.98 -1.55 0.00 -1.94 -1.11 119.26 117.38 2b5a h ALA 66 Ca -0.50 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.50 2b5a h ALA 66 Cb 1.26 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 2b5a h ALA 66 CO 0.60 0.18 0.62 0.66 0.00 0.00 0.00 179.25 181.31 2b5a h SER 67 N 0.92 0.97 -0.17 0.00 4.64 -1.99 0.15 113.55 118.07 2b5a h SER 67 Ca 0.45 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.61 2b5a h SER 67 Cb 0.46 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2b5a h SER 67 CO -0.21 0.59 -0.55 0.74 -0.87 0.00 0.00 176.83 176.54 2b5a h THR 68 N 1.09 1.29 -0.12 2.95 2.02 -1.60 -0.17 112.91 118.37 2b5a h THR 68 Ca 0.44 -1.75 0.03 0.00 0.77 0.00 0.00 66.41 65.90 2b5a h THR 68 Cb 0.26 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 2b5a h THR 68 CO -0.20 0.56 -0.07 0.15 0.37 0.00 0.00 175.52 176.33 2b5a h PHE 69 N 0.58 -0.16 -0.02 3.16 3.57 -0.66 -1.37 116.94 122.03 2b5a h PHE 69 Ca 0.01 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 2b5a h PHE 69 Cb 1.13 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 2b5a h PHE 69 CO 0.06 -0.11 -0.57 0.74 -2.23 0.00 0.00 178.31 176.21 2b5a h PHE 70 N -0.06 0.10 -0.56 0.41 0.04 -0.82 -1.16 116.94 114.87 2b5a h PHE 70 Ca 0.07 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2b5a h PHE 70 Cb 0.17 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 2b5a h PHE 70 CO -0.19 0.62 0.27 -0.09 -0.60 0.00 0.00 178.31 178.32 2b5a h ARG 71 N 0.06 0.82 -0.78 1.51 2.43 -0.76 0.02 114.38 117.68 2b5a h ARG 71 Ca -0.00 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 2b5a h ARG 71 Cb 1.02 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 2b5a h ARG 71 CO 0.08 0.67 0.28 0.87 -1.51 0.00 0.00 179.97 180.36 2b5a h LYS 72 N 0.76 1.19 -0.67 0.20 1.57 -0.75 -1.34 116.57 117.53 2b5a h LYS 72 Ca 0.19 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2b5a h LYS 72 Cb 0.13 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 2b5a h LYS 72 CO -0.02 0.98 0.42 1.98 -0.57 0.00 0.00 179.45 182.24 2b5a h MET 73 N 1.15 0.81 0.00 3.15 4.05 -0.88 -2.38 114.93 120.81 2b5a h MET 73 Ca 0.26 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.56 2b5a h MET 73 Cb 0.26 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2b5a h MET 73 CO -0.01 0.53 -0.32 0.93 0.23 0.00 0.00 176.91 178.27 2b5a h GLU 74 N 0.83 0.00 -0.00 0.39 5.08 -0.56 -2.92 114.58 117.40 2b5a h GLU 74 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2b5a h GLU 74 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2b5a h GLU 74 CO -0.10 0.32 -0.23 0.39 -1.00 0.00 0.00 179.01 178.40 2b5a n GLU 75 N -4.07 0.11 -1.98 2.33 1.02 -0.55 -4.87 120.64 112.63 2b5a n GLU 75 Ca -0.02 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 2b5a n GLU 75 Cb 0.37 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2b5a n GLU 75 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2b5a s GLU 76 N -2.92 4.24 0.00 3.49 2.12 -1.01 -5.08 118.70 119.54 2b5a s GLU 76 Ca 0.15 2.32 0.00 0.00 0.36 0.00 0.00 54.97 57.80 2b5a s GLU 76 Cb 0.19 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2b5a s GLU 76 CO 0.59 -0.50 0.00 0.27 -0.54 0.00 0.00 175.26 175.08