#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5a n ASN 9 N 0.00 0.38 -4.87 0.55 6.94 -1.26 -4.91 115.26 112.08 3d5a n ASN 9 Ca 0.00 0.29 -0.32 0.00 -0.02 0.00 0.00 54.58 54.53 3d5a n ASN 9 Cb 0.00 -0.82 -0.05 0.00 -2.36 0.00 0.00 39.78 36.55 3d5a n ASN 9 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3d5a s LEU 10 N 7.34 4.13 -0.03 -4.53 2.96 -1.26 -4.96 118.68 122.33 3d5a s LEU 10 Ca 1.18 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 56.07 3d5a s LEU 10 Cb -1.19 -3.75 0.05 0.00 0.50 0.00 0.00 46.19 41.80 3d5a s LEU 10 CO 0.48 -0.12 0.86 -1.20 -1.32 0.00 0.00 176.35 175.06 3d5a n SER 11 N -0.30 2.32 0.06 3.68 7.64 -1.26 -3.46 113.62 122.29 3d5a n SER 11 Ca 0.01 -2.10 0.13 0.00 1.01 0.00 0.00 58.87 57.92 3d5a n SER 11 Cb 0.53 -0.52 0.37 0.00 -1.01 0.00 0.00 64.21 63.58 3d5a n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d5a n ALA 12 N 0.24 2.63 0.03 -0.43 0.00 -1.26 -3.39 120.51 118.32 3d5a n ALA 12 Ca 0.03 -0.14 0.16 0.00 0.00 0.00 0.00 53.44 53.49 3d5a n ALA 12 Cb 0.47 -1.35 0.63 0.00 0.00 0.00 0.00 19.45 19.20 3d5a n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3d5a h LEU 13 N 0.00 0.10 -0.46 0.00 4.07 -1.99 -0.50 115.31 116.53 3d5a h LEU 13 Ca 0.00 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.03 3d5a h LEU 13 Cb 0.66 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.32 3d5a h LEU 13 CO 0.00 0.06 0.13 0.50 -1.08 0.00 0.00 178.44 178.06 3d5a h LYS 14 N 0.11 0.28 -0.72 1.13 3.64 -1.87 0.83 116.57 119.98 3d5a h LYS 14 Ca 0.21 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3d5a h LYS 14 Cb 0.69 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3d5a h LYS 14 CO -0.02 0.19 0.31 0.00 -2.27 0.00 0.00 179.45 177.65 3d5a h ARG 15 N 0.29 1.04 -0.21 1.90 2.47 -1.33 0.51 114.38 119.06 3d5a h ARG 15 Ca 0.22 -0.17 -0.14 0.00 -1.26 0.00 0.00 59.98 58.63 3d5a h ARG 15 Cb 0.25 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3d5a h ARG 15 CO -0.25 0.83 -0.43 1.25 0.56 0.00 0.00 179.97 181.93 3d5a h HIS 16 N 1.03 0.83 -0.59 3.04 2.76 -0.99 -1.35 115.15 119.88 3d5a h HIS 16 Ca 0.24 -0.30 -0.08 0.00 -2.20 0.00 0.00 60.37 58.03 3d5a h HIS 16 Cb 0.16 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 3d5a h HIS 16 CO 0.01 1.07 0.05 0.00 -1.30 0.00 0.00 177.93 177.77 3d5a h ARG 17 N 0.35 0.98 -0.71 5.26 3.08 0.91 -1.84 114.38 122.40 3d5a h ARG 17 Ca 0.01 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3d5a h ARG 17 Cb 1.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3d5a h ARG 17 CO 0.09 0.94 0.27 1.96 -1.07 0.00 0.00 179.97 182.16 3d5a h GLN 18 N 0.91 1.06 0.00 0.04 4.20 0.06 -1.51 115.11 119.87 3d5a h GLN 18 Ca 0.18 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3d5a h GLN 18 Cb 0.46 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3d5a h GLN 18 CO 0.02 0.87 0.00 -1.13 -0.67 0.00 0.00 178.83 177.91 3d5a n SER 19 N -4.29 0.66 0.00 1.46 3.41 -0.51 -2.04 113.62 112.30 3d5a n SER 19 Ca 0.06 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 3d5a n SER 19 Cb 0.19 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 3d5a n SER 19 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3d5a n LEU 20 N -2.22 0.35 -0.32 1.04 4.77 -0.58 -1.38 117.00 118.67 3d5a n LEU 20 Ca 0.02 0.63 0.18 0.00 -0.03 0.00 0.00 56.01 56.81 3d5a n LEU 20 Cb 0.24 -0.39 0.38 0.00 -2.33 0.00 0.00 43.42 41.32 3d5a n LEU 20 CO 0.20 -0.39 1.02 0.11 -1.33 0.00 0.00 177.39 177.01 3d5a h LYS 21 N 0.00 0.25 0.17 3.23 1.57 -1.57 -0.45 116.57 119.77 3d5a h LYS 21 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3d5a h LYS 21 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3d5a h LYS 21 CO 0.00 0.17 -0.08 -0.09 -0.57 0.00 0.00 179.45 178.87 3d5a h ARG 22 N 0.26 -0.22 -0.42 3.15 2.43 -1.48 0.91 114.38 119.00 3d5a h ARG 22 Ca 0.64 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.89 3d5a h ARG 22 Cb 1.39 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.90 3d5a h ARG 22 CO -0.64 -0.14 -0.51 -0.09 -1.51 0.00 0.00 179.97 177.08 3d5a h ARG 23 N -0.24 -0.35 0.10 0.20 2.43 0.17 -1.52 114.38 115.16 3d5a h ARG 23 Ca -0.02 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3d5a h ARG 23 Cb 0.19 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3d5a h ARG 23 CO 0.04 -0.24 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.07 3d5a h LEU 24 N -0.37 -0.33 -0.50 3.80 -0.00 -1.35 -1.79 115.31 114.77 3d5a h LEU 24 Ca 0.10 0.04 0.07 0.00 -0.00 0.00 0.00 57.88 58.09 3d5a h LEU 24 Cb 0.59 0.12 -0.09 0.00 -0.00 0.00 0.00 40.66 41.28 3d5a h LEU 24 CO -0.60 -0.19 -0.50 -0.09 -0.00 0.00 0.00 178.44 177.07 3d5a h ARG 25 N -0.26 -0.30 0.11 1.13 2.43 0.15 -1.53 114.38 116.11 3d5a h ARG 25 Ca 0.01 0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.92 3d5a h ARG 25 Cb 0.26 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3d5a h ARG 25 CO -0.05 -0.20 -1.40 -2.95 -1.51 0.00 0.00 179.97 173.85 3d5a h ASN 26 N -0.31 0.36 0.14 -3.80 -0.00 -1.36 -3.23 115.58 107.37 3d5a h ASN 26 Ca 0.13 -0.45 -0.03 0.00 -0.00 0.00 0.00 56.30 55.95 3d5a h ASN 26 Cb 0.57 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 38.77 3d5a h ASN 26 CO -0.65 1.37 -0.14 0.50 -0.00 0.00 0.00 177.43 178.52 3d5a h LYS 27 N 0.06 0.00 0.02 4.14 3.11 -1.17 0.37 116.57 123.09 3d5a h LYS 27 Ca -0.19 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.65 3d5a h LYS 27 Cb 1.98 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.21 3d5a h LYS 27 CO 0.17 0.14 -0.01 0.00 -2.81 0.00 0.00 179.45 176.94 3d5a h ALA 28 N 1.86 -0.03 -0.39 5.00 0.00 -1.33 -2.11 119.26 122.26 3d5a h ALA 28 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3d5a h ALA 28 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3d5a h ALA 28 CO 0.02 -0.31 -0.12 0.87 0.00 0.00 0.00 179.25 179.71 3d5a h LYS 29 N -0.43 0.69 -0.60 0.00 1.57 -1.47 -2.04 116.57 114.30 3d5a h LYS 29 Ca -0.00 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3d5a h LYS 29 Cb 0.41 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3d5a h LYS 29 CO 0.00 0.79 0.39 -0.22 -0.57 0.00 0.00 179.45 179.84 3d5a h LYS 30 N 0.63 0.77 -0.30 3.15 1.63 -0.25 -1.93 116.57 120.27 3d5a h LYS 30 Ca 0.11 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.74 3d5a h LYS 30 Cb 0.57 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 3d5a h LYS 30 CO 0.04 0.51 -0.34 0.66 -3.45 0.00 0.00 179.45 176.87 3d5a h SER 31 N 0.79 0.68 -0.48 4.20 4.64 -1.20 -2.23 113.55 119.95 3d5a h SER 31 Ca 0.22 -0.28 0.09 0.00 -0.47 0.00 0.00 61.79 61.35 3d5a h SER 31 Cb -0.07 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 3d5a h SER 31 CO -0.06 0.96 0.33 0.00 -0.87 0.00 0.00 176.83 177.20 3d5a h ALA 32 N 1.08 2.11 0.60 5.18 0.00 -0.84 -2.03 119.26 125.36 3d5a h ALA 32 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3d5a h ALA 32 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3d5a h ALA 32 CO 0.07 -0.22 -0.31 0.82 0.00 0.00 0.00 179.25 179.61 3d5a h ILE 33 N 0.26 0.00 -0.59 0.00 1.08 -0.73 -1.42 117.51 116.12 3d5a h ILE 33 Ca 0.22 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.78 3d5a h ILE 33 Cb 0.53 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.17 3d5a h ILE 33 CO -0.05 0.00 -0.41 0.11 -0.69 0.00 0.00 178.15 177.11 3d5a h LYS 34 N -0.84 -0.20 -0.11 2.37 1.57 -1.33 0.55 116.57 118.58 3d5a h LYS 34 Ca -0.08 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3d5a h LYS 34 Cb 0.65 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3d5a h LYS 34 CO 0.12 -0.13 -0.04 1.79 -0.57 0.00 0.00 179.45 180.62 3d5a h THR 35 N -0.21 0.86 -0.73 -0.16 1.35 -1.42 0.38 112.91 112.99 3d5a h THR 35 Ca 0.19 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.03 3d5a h THR 35 Cb 0.56 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.81 3d5a h THR 35 CO -0.69 0.00 0.37 -0.07 -0.25 0.00 0.00 175.52 174.88 3d5a h LEU 36 N -0.02 0.92 0.32 3.87 -0.00 -0.49 0.43 115.31 120.35 3d5a h LEU 36 Ca 0.06 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 3d5a h LEU 36 Cb 0.10 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 3d5a h LEU 36 CO -0.12 0.77 -0.16 0.28 -0.00 0.00 0.00 178.44 179.21 3d5a h SER 37 N 1.03 -0.37 -0.39 -0.43 0.02 0.77 -0.94 113.55 113.23 3d5a h SER 37 Ca 0.26 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3d5a h SER 37 Cb 0.07 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3d5a h SER 37 CO -0.04 -0.21 0.25 0.11 -1.14 0.00 0.00 176.83 175.81 3d5a h LYS 38 N -0.51 0.49 -0.83 3.45 1.57 0.12 0.29 116.57 121.15 3d5a h LYS 38 Ca -0.04 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3d5a h LYS 38 Cb 0.38 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 3d5a h LYS 38 CO 0.07 0.33 0.50 -0.22 -0.57 0.00 0.00 179.45 179.56 3d5a h LYS 39 N 0.51 0.84 -0.10 3.15 3.64 -0.09 0.28 116.57 124.80 3d5a h LYS 39 Ca 0.15 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3d5a h LYS 39 Cb -0.04 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3d5a h LYS 39 CO -0.04 0.56 0.02 0.00 -2.27 0.00 0.00 179.45 177.71 3d5a h ALA 40 N 1.43 0.13 -0.62 5.00 0.00 -0.48 -1.85 119.26 122.87 3d5a h ALA 40 Ca 0.38 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3d5a h ALA 40 Cb 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3d5a h ALA 40 CO -0.21 -0.23 0.41 0.28 0.00 0.00 0.00 179.25 179.50 3d5a h VAL 41 N -0.07 1.11 0.80 0.00 2.07 -0.40 0.14 116.25 119.90 3d5a h VAL 41 Ca 0.03 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3d5a h VAL 41 Cb 0.28 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3d5a h VAL 41 CO 0.00 0.14 -0.42 -0.61 0.02 0.00 0.00 177.57 176.70 3d5a h GLN 42 N 0.77 -1.08 -0.44 1.57 5.75 -0.11 -1.90 115.11 119.68 3d5a h GLN 42 Ca 0.24 0.07 0.10 0.00 -0.15 0.00 0.00 58.65 58.92 3d5a h GLN 42 Cb 0.02 0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3d5a h GLN 42 CO -0.06 -0.72 0.30 -0.07 -2.65 0.00 0.00 178.83 175.63 3d5a h LEU 43 N -1.12 0.12 -1.51 -2.39 3.38 -1.10 0.68 115.31 113.37 3d5a h LEU 43 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3d5a h LEU 43 Cb 0.87 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3d5a h LEU 43 CO 0.16 0.08 0.10 0.00 0.09 0.00 0.00 178.44 178.86 3d5a h ALA 44 N 1.78 1.62 0.01 1.53 0.00 -0.24 -2.74 119.26 121.21 3d5a h ALA 44 Ca 0.20 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.66 3d5a h ALA 44 Cb 0.63 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3d5a h ALA 44 CO -0.03 0.30 -2.21 0.94 0.00 0.00 0.00 179.25 178.25 3d5a n GLN 45 N -4.40 0.67 -0.31 0.00 0.00 -0.25 -4.17 117.38 108.92 3d5a n GLN 45 Ca 0.01 0.10 0.17 0.00 -0.00 0.00 0.00 57.00 57.27 3d5a n GLN 45 Cb 0.15 -1.60 0.35 0.00 0.00 0.00 0.00 30.24 29.14 3d5a n GLN 45 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3d5a h GLU 46 N 0.00 0.22 0.00 3.69 4.81 0.60 -3.44 114.58 120.46 3d5a h GLU 46 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3d5a h GLU 46 Cb 2.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.48 3d5a h GLU 46 CO 0.03 0.15 0.00 0.41 -0.73 0.00 0.00 179.01 178.87 3d5a n GLY 47 N -1.36 -0.04 3.71 1.92 0.00 -1.16 -5.07 105.19 103.20 3d5a n GLY 47 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 3d5a n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5a s LYS 48 N 0.00 2.40 0.12 1.61 1.02 -1.18 -5.07 119.74 118.64 3d5a s LYS 48 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.54 3d5a s LYS 48 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 3d5a s LYS 48 CO 0.00 0.23 0.00 0.00 -0.92 0.00 0.00 175.35 174.66 3d5a n ALA 49 N -1.06 3.00 -0.00 5.17 0.00 -1.26 -4.36 120.51 121.99 3d5a n ALA 49 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 3d5a n ALA 49 Cb 0.60 0.22 -0.03 0.00 0.00 0.00 0.00 19.45 20.24 3d5a n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3d5a h GLU 50 N 0.00 -0.24 0.00 0.00 4.11 -1.95 0.31 114.58 116.81 3d5a h GLU 50 Ca 0.00 0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.30 3d5a h GLU 50 Cb 0.11 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3d5a h GLU 50 CO 0.00 -0.16 -0.71 1.05 0.07 0.00 0.00 179.01 179.26 3d5a h GLU 51 N -0.25 0.00 0.86 1.06 4.11 -1.98 -0.02 114.58 118.36 3d5a h GLU 51 Ca 0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.49 3d5a h GLU 51 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3d5a h GLU 51 CO -0.29 0.71 -0.41 0.00 0.07 0.00 0.00 179.01 179.09 3d5a h ALA 52 N 1.29 -1.16 -0.48 1.06 0.00 -1.57 -2.27 119.26 116.14 3d5a h ALA 52 Ca -0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3d5a h ALA 52 Cb 1.43 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3d5a h ALA 52 CO 0.09 -1.14 0.09 -0.07 0.00 0.00 0.00 179.25 178.23 3d5a h LEU 53 N -1.18 0.68 -0.14 0.00 3.38 -0.48 -2.89 115.31 114.68 3d5a h LEU 53 Ca -0.12 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3d5a h LEU 53 Cb 0.89 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 3d5a h LEU 53 CO 0.19 0.69 -0.46 0.50 0.09 0.00 0.00 178.44 179.45 3d5a h LYS 54 N 0.70 -0.45 -0.95 1.13 3.64 -0.80 0.43 116.57 120.28 3d5a h LYS 54 Ca 0.15 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.66 3d5a h LYS 54 Cb 0.30 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 3d5a h LYS 54 CO 0.00 -0.30 0.59 0.82 -2.27 0.00 0.00 179.45 178.29 3d5a h ILE 55 N -0.47 0.99 -0.76 2.00 5.03 -1.40 -0.81 117.51 122.09 3d5a h ILE 55 Ca 0.03 -0.35 0.09 0.00 -0.12 0.00 0.00 64.86 64.51 3d5a h ILE 55 Cb 0.56 -0.11 -0.07 0.00 -3.03 0.00 0.00 36.82 34.17 3d5a h ILE 55 CO -0.38 0.18 0.41 -0.03 -0.68 0.00 0.00 178.15 177.65 3d5a h MET 56 N 1.01 0.68 0.12 2.37 1.85 -0.77 -1.96 114.93 118.24 3d5a h MET 56 Ca 0.44 -0.04 0.01 0.00 -0.61 0.00 0.00 59.70 59.49 3d5a h MET 56 Cb 0.32 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.16 3d5a h MET 56 CO -0.22 0.45 -0.35 0.00 -0.40 0.00 0.00 176.91 176.40 3d5a h ARG 57 N 0.71 -0.50 -0.90 0.39 -0.00 0.13 0.45 114.38 114.65 3d5a h ARG 57 Ca 0.36 0.03 0.18 0.00 -0.50 0.00 0.00 59.98 60.05 3d5a h ARG 57 Cb 0.33 0.11 -0.07 0.00 0.00 0.00 0.00 29.97 30.34 3d5a h ARG 57 CO -0.24 -0.33 0.58 -0.22 0.00 0.00 0.00 179.97 179.76 3d5a h LYS 58 N -0.52 0.53 0.45 0.04 3.64 -1.43 0.35 116.57 119.62 3d5a h LYS 58 Ca -0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3d5a h LYS 58 Cb 0.51 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3d5a h LYS 58 CO -0.17 0.35 -0.22 0.00 -2.27 0.00 0.00 179.45 177.15 3d5a h ALA 59 N 1.61 -0.95 -1.08 5.00 0.00 -0.51 0.87 119.26 124.21 3d5a h ALA 59 Ca 0.47 -0.13 0.30 0.00 0.00 0.00 0.00 54.91 55.54 3d5a h ALA 59 Cb 0.96 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 3d5a h ALA 59 CO -0.21 -0.91 0.67 1.49 0.00 0.00 0.00 179.25 180.30 3d5a h GLU 60 N -0.72 0.35 -0.01 0.00 4.22 0.42 0.51 114.58 119.35 3d5a h GLU 60 Ca -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 3d5a h GLU 60 Cb 0.46 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3d5a h GLU 60 CO 0.10 0.23 -0.03 1.03 -2.18 0.00 0.00 179.01 178.16 3d5a h SER 61 N 0.37 0.05 -0.27 1.04 0.87 -0.87 -3.09 113.55 111.65 3d5a h SER 61 Ca 0.66 -0.61 0.08 0.00 -1.23 0.00 0.00 61.79 60.69 3d5a h SER 61 Cb 1.66 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.59 3d5a h SER 61 CO -0.39 0.65 0.42 0.25 -0.53 0.00 0.00 176.83 177.23 3d5a h LEU 62 N -0.54 0.00 0.42 2.23 6.46 0.55 0.22 115.31 124.65 3d5a h LEU 62 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 3d5a h LEU 62 Cb 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 3d5a h LEU 62 CO 0.01 0.00 -0.20 0.40 -0.62 0.00 0.00 178.44 178.02 3d5a h ILE 63 N 0.00 0.00 -0.72 4.05 2.04 -0.59 -3.05 117.51 119.24 3d5a h ILE 63 Ca 0.13 -0.33 0.16 0.00 1.00 0.00 0.00 64.86 65.81 3d5a h ILE 63 Cb 0.96 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3d5a h ILE 63 CO -0.00 0.00 0.49 0.44 0.00 0.00 0.00 178.15 179.08 3d5a h ASP 64 N -0.90 0.29 0.00 1.72 3.32 -1.03 -1.48 116.42 118.34 3d5a h ASP 64 Ca -0.06 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3d5a h ASP 64 Cb 0.44 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3d5a h ASP 64 CO 0.10 0.15 0.00 0.29 -1.72 0.00 0.00 179.24 178.05 3d5a n LYS 65 N -4.45 0.00 0.34 3.56 4.76 0.60 -1.43 118.16 121.54 3d5a n LYS 65 Ca 0.14 0.58 0.22 0.00 -2.87 0.00 0.00 58.31 56.38 3d5a n LYS 65 Cb 0.58 -1.40 1.20 0.00 -1.84 0.00 0.00 35.03 33.57 3d5a n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d5a h ALA 66 N -1.71 1.03 -0.33 7.82 0.00 -1.42 -0.49 119.26 124.16 3d5a h ALA 66 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3d5a h ALA 66 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3d5a h ALA 66 CO 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 179.25 179.18 3d5a h ALA 67 N 1.96 1.30 -0.73 0.00 0.00 -0.33 -2.04 119.26 119.42 3d5a h ALA 67 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3d5a h ALA 67 Cb 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3d5a h ALA 67 CO -0.00 0.47 0.48 0.87 0.00 0.00 0.00 179.25 181.07 3d5a h LYS 68 N 0.50 0.68 0.00 0.00 1.57 0.11 -3.41 116.57 116.03 3d5a h LYS 68 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3d5a h LYS 68 Cb 0.40 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3d5a h LYS 68 CO 0.02 0.45 0.00 0.41 -0.57 0.00 0.00 179.45 179.76 3d5a n GLY 69 N -1.46 -0.59 0.06 3.86 0.00 -0.77 -4.99 105.19 101.31 3d5a n GLY 69 Ca 0.11 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.58 3d5a n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d5a n SER 70 N -0.51 0.68 0.00 1.61 7.64 -1.26 -4.61 113.62 117.17 3d5a n SER 70 Ca 0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3d5a n SER 70 Cb 0.00 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3d5a n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3d5a n THR 71 N -2.06 0.00 -2.77 0.44 -1.04 -1.26 -4.70 114.28 102.89 3d5a n THR 71 Ca 0.04 0.24 -0.40 0.00 -2.04 0.00 0.00 64.05 61.89 3d5a n THR 71 Cb 0.43 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.67 3d5a n THR 71 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3d5a s LEU 72 N 0.00 4.61 0.00 -4.42 0.20 -1.24 -5.02 118.68 112.80 3d5a s LEU 72 Ca 0.00 1.88 0.00 0.00 0.69 0.00 0.00 54.13 56.70 3d5a s LEU 72 Cb 0.00 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.18 3d5a s LEU 72 CO 0.00 0.11 0.00 1.41 -0.29 0.00 0.00 176.35 177.58 3d5a n HIS 73 N 1.83 -0.19 -2.69 5.38 8.25 -1.26 -3.80 115.22 122.73 3d5a n HIS 73 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3d5a n HIS 73 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 3d5a n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3d5a n LYS 74 N 0.00 0.00 0.00 -0.41 4.76 -1.26 -2.14 118.16 119.10 3d5a n LYS 74 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 3d5a n LYS 74 Cb 0.00 0.00 0.76 0.00 -1.84 0.00 0.00 35.03 33.95 3d5a n LYS 74 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3d5a n ASN 75 N -3.46 0.00 -0.15 4.39 6.94 -1.26 -3.29 115.26 118.43 3d5a n ASN 75 Ca 0.00 -0.79 0.02 0.00 -0.02 0.00 0.00 54.58 53.79 3d5a n ASN 75 Cb 0.00 -0.00 0.31 0.00 -2.36 0.00 0.00 39.78 37.72 3d5a n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d5a h ALA 76 N 3.61 1.56 -0.73 -2.53 0.00 -1.87 -0.32 119.26 118.97 3d5a h ALA 76 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3d5a h ALA 76 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3d5a h ALA 76 CO 0.00 0.41 0.33 0.00 0.00 0.00 0.00 179.25 179.99 3d5a h ALA 77 N 1.60 1.21 -0.38 0.00 0.00 -1.49 -2.59 119.26 117.61 3d5a h ALA 77 Ca 0.24 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3d5a h ALA 77 Cb -0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3d5a h ALA 77 CO -0.05 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.04 3d5a h ALA 78 N 1.32 0.48 -0.17 0.00 0.00 -1.30 -2.59 119.26 117.00 3d5a h ALA 78 Ca 0.25 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3d5a h ALA 78 Cb 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3d5a h ALA 78 CO -0.03 -0.07 -0.47 0.00 0.00 0.00 0.00 179.25 178.68 3d5a h ARG 79 N 0.50 -0.49 -0.60 0.00 3.08 -0.98 0.68 114.38 116.57 3d5a h ARG 79 Ca 0.14 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.35 3d5a h ARG 79 Cb -0.05 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 30.00 3d5a h ARG 79 CO -0.04 -0.33 -0.10 0.00 -1.07 0.00 0.00 179.97 178.44 3d5a h ARG 80 N -0.51 0.03 0.45 0.04 2.47 -1.39 -0.65 114.38 114.82 3d5a h ARG 80 Ca 0.07 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 3d5a h ARG 80 Cb 0.64 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 3d5a h ARG 80 CO -0.44 0.02 -0.22 0.87 0.56 0.00 0.00 179.97 180.77 3d5a h LYS 81 N 0.03 -0.58 -0.50 0.04 1.57 -0.86 -1.79 116.57 114.48 3d5a h LYS 81 Ca 0.30 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.20 3d5a h LYS 81 Cb 0.47 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.81 3d5a h LYS 81 CO -0.58 -0.39 -0.38 0.66 -0.57 0.00 0.00 179.45 178.19 3d5a h SER 82 N -0.69 -1.29 0.41 0.86 4.64 0.55 0.17 113.55 118.19 3d5a h SER 82 Ca -0.06 0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 3d5a h SER 82 Cb 0.46 0.60 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3d5a h SER 82 CO 0.10 -0.33 -0.23 0.03 -0.87 0.00 0.00 176.83 175.53 3d5a h ARG 83 N -0.24 0.00 0.33 4.77 3.08 -1.22 -1.60 114.38 119.50 3d5a h ARG 83 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3d5a h ARG 83 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3d5a h ARG 83 CO -0.63 0.23 -0.16 1.25 -1.07 0.00 0.00 179.97 179.59 3d5a h LEU 84 N 0.00 -0.38 -1.29 3.04 7.12 0.21 -2.37 115.31 121.64 3d5a h LEU 84 Ca -0.00 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.97 3d5a h LEU 84 Cb 0.49 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 3d5a h LEU 84 CO 0.03 -0.16 -0.09 0.00 -0.13 0.00 0.00 178.44 178.08 3d5a h MET 85 N -0.66 0.37 -0.66 1.25 -0.00 -1.30 -0.10 114.93 113.82 3d5a h MET 85 Ca -0.05 -0.09 0.03 0.00 -0.00 0.00 0.00 59.70 59.60 3d5a h MET 85 Cb 0.34 -0.05 -0.04 0.00 -0.00 0.00 0.00 31.60 31.85 3d5a h MET 85 CO 0.07 0.47 0.41 -0.09 -0.00 0.00 0.00 176.91 177.77 3d5a h ARG 86 N 0.35 0.76 -0.13 -0.10 2.43 -1.38 0.38 114.38 116.69 3d5a h ARG 86 Ca 0.07 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3d5a h ARG 86 Cb 0.39 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3d5a h ARG 86 CO 0.02 0.51 0.01 -0.22 -1.51 0.00 0.00 179.97 178.77 3d5a h LYS 87 N 0.79 0.22 -0.87 0.20 1.63 -0.79 -2.94 116.57 114.81 3d5a h LYS 87 Ca 0.27 -0.07 0.07 0.00 -0.85 0.00 0.00 60.65 60.07 3d5a h LYS 87 Cb 0.05 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.59 3d5a h LYS 87 CO -0.12 0.45 0.53 0.28 -3.45 0.00 0.00 179.45 177.14 3d5a h VAL 88 N -0.03 1.02 -0.62 2.00 2.07 -0.54 -2.38 116.25 117.77 3d5a h VAL 88 Ca 0.04 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3d5a h VAL 88 Cb 0.34 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 3d5a h VAL 88 CO 0.01 0.17 0.34 -0.09 0.02 0.00 0.00 177.57 178.02 3d5a h ARG 89 N 0.96 0.87 0.00 1.57 2.43 -0.20 -2.33 114.38 117.68 3d5a h ARG 89 Ca 0.38 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 3d5a h ARG 89 Cb 0.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3d5a h ARG 89 CO -0.19 0.66 -0.30 1.96 -1.51 0.00 0.00 179.97 180.59 3d5a h GLN 90 N 0.85 0.00 -0.01 0.20 4.20 -1.26 -0.35 115.11 118.73 3d5a h GLN 90 Ca 0.22 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.75 3d5a h GLN 90 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3d5a h GLN 90 CO -0.03 0.30 -0.78 -0.07 -0.67 0.00 0.00 178.83 177.58 3d5a h LEU 91 N 0.00 0.19 -0.01 1.46 3.38 -1.13 -2.47 115.31 116.73 3d5a h LEU 91 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3d5a h LEU 91 Cb 0.87 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3d5a h LEU 91 CO 0.04 0.89 0.00 0.18 0.09 0.00 0.00 178.44 179.64 3d5a n LEU 92 N -3.71 0.50 0.08 1.67 4.77 -0.90 -2.76 117.00 116.64 3d5a n LEU 92 Ca -0.03 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.60 3d5a n LEU 92 Cb 0.74 -0.39 0.41 0.00 -2.33 0.00 0.00 43.42 41.84 3d5a n LEU 92 CO 0.46 -0.12 0.79 1.21 -1.33 0.00 0.00 177.39 178.40 3d5a n GLU 93 N -1.97 0.11 -0.75 3.23 0.00 -0.18 -0.62 120.64 120.46 3d5a n GLU 93 Ca 0.06 0.37 -0.09 0.00 0.00 0.00 0.00 57.16 57.50 3d5a n GLU 93 Cb 0.39 -1.72 -0.12 0.00 0.00 0.00 0.00 31.44 29.99 3d5a n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3d5a n ALA 94 N -1.66 5.08 -0.93 4.31 0.00 -1.11 -4.49 120.51 121.71 3d5a n ALA 94 Ca 0.02 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.14 3d5a n ALA 94 Cb 0.19 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.41 3d5a n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d5a n ALA 95 N 2.54 0.00 -0.04 0.00 0.00 -1.24 -4.89 120.51 116.88 3d5a n ALA 95 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 3d5a n ALA 95 Cb 0.70 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 3d5a n ALA 95 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3d5a h GLY 96 N 0.00 0.22 -4.48 0.00 0.00 -1.09 -3.49 103.07 94.23 3d5a h GLY 96 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3d5a h GLY 96 CO 0.00 0.01 -1.00 0.00 0.00 0.00 0.00 176.54 175.55 3d5a n ALA 97 N -2.25 -2.47 -1.50 3.60 0.00 -1.07 -4.64 120.51 112.19 3d5a n ALA 97 Ca -0.03 0.83 -0.17 0.00 0.00 0.00 0.00 53.44 54.07 3d5a n ALA 97 Cb 0.08 -1.97 -0.15 0.00 0.00 0.00 0.00 19.45 17.41 3d5a n ALA 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3d5a n PRO 98 N 1.60 0.22 0.39 0.00 -0.02 -1.26 -4.79 135.00 131.14 3d5a n PRO 98 Ca -0.09 -0.41 -0.18 0.00 -2.02 0.00 0.00 63.50 60.80 3d5a n PRO 98 Cb 0.13 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.34 3d5a n PRO 98 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3d5a h LEU 99 N 15.92 -0.83 -8.99 2.45 3.38 -1.93 -3.41 115.31 121.90 3d5a h LEU 99 Ca 0.02 0.03 -0.62 0.00 0.09 0.00 0.00 57.88 57.40 3d5a h LEU 99 Cb 1.07 0.22 -0.18 0.00 0.09 0.00 0.00 40.66 41.86 3d5a h LEU 99 CO 1.32 -0.59 -0.58 -0.63 0.09 0.00 0.00 178.44 178.05 3d5a s ILE 100 N -6.05 4.65 -0.66 1.22 1.09 -1.26 -5.01 121.20 115.18 3d5a s ILE 100 Ca -0.18 -0.08 -0.26 0.00 -1.10 0.00 0.00 60.65 59.03 3d5a s ILE 100 Cb 0.03 -3.11 -0.07 0.00 -1.06 0.00 0.00 42.46 38.25 3d5a s ILE 100 CO 0.62 0.44 2.21 -0.83 -0.10 0.00 0.00 174.94 177.28 3d5a s GLY 101 N 0.62 -0.30 0.00 6.18 0.00 -1.26 -4.80 107.32 107.76 3d5a s GLY 101 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3d5a s GLY 101 CO 0.02 3.90 0.00 0.61 0.00 0.00 0.00 173.10 177.62 3d5a n GLY 102 N 6.26 0.67 0.18 0.20 0.00 -1.26 -4.89 105.19 106.35 3d5a n GLY 102 Ca 0.36 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.42 3d5a n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5a n GLY 103 N 5.00 -0.57 3.74 -0.02 0.00 -1.26 -4.84 105.19 107.24 3d5a n GLY 103 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 3d5a n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5a s LEU 104 N -1.24 3.61 -0.61 0.99 1.43 -1.26 -5.08 118.68 116.52 3d5a s LEU 104 Ca 0.16 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3d5a s LEU 104 Cb 0.08 -2.25 0.16 0.00 0.03 0.00 0.00 46.19 44.21 3d5a s LEU 104 CO 0.12 0.09 0.44 -0.94 0.23 0.00 0.00 176.35 176.29 3d5a s SER 105 N -2.93 5.45 0.00 2.29 1.04 -1.26 -4.98 113.70 113.31 3d5a s SER 105 Ca 0.29 -2.65 0.00 0.00 0.48 0.00 0.00 55.95 54.07 3d5a s SER 105 Cb -0.10 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.12 3d5a s SER 105 CO 0.21 -0.44 0.18 0.00 0.98 0.00 0.00 173.24 174.17