#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b n HIS 3 N 0.00 -0.32 -0.29 -1.55 1.44 -1.26 -4.68 115.22 108.55 3d5b n HIS 3 Ca 0.00 0.13 0.06 0.00 -2.01 0.00 0.00 57.72 55.89 3d5b n HIS 3 Cb 0.00 -0.70 0.15 0.00 0.12 0.00 0.00 29.99 29.57 3d5b n HIS 3 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3d5b n LEU 4 N -1.91 2.97 0.07 2.39 7.94 -1.26 -4.61 117.00 122.59 3d5b n LEU 4 Ca -0.07 -2.17 0.04 0.00 -1.11 0.00 0.00 56.01 52.70 3d5b n LEU 4 Cb 0.17 -0.26 0.22 0.00 0.53 0.00 0.00 43.42 44.08 3d5b n LEU 4 CO 0.21 0.70 0.64 0.29 -1.11 0.00 0.00 177.39 178.12 3d5b n LYS 5 N 0.23 0.05 -0.05 1.96 4.01 -1.26 -4.58 118.16 118.52 3d5b n LYS 5 Ca 0.12 0.50 0.00 0.00 -0.51 0.00 0.00 58.31 58.42 3d5b n LYS 5 Cb 0.48 -1.78 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 3d5b n LYS 5 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3d5b n SER 6 N -1.75 0.00 -4.74 4.39 3.41 -1.26 -5.05 113.62 108.61 3d5b n SER 6 Ca -0.01 -0.64 -0.37 0.00 -0.26 0.00 0.00 58.87 57.60 3d5b n SER 6 Cb 0.12 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 3d5b n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3d5b s GLY 7 N -2.22 2.30 0.00 5.00 0.00 -1.26 -5.02 107.32 106.11 3d5b s GLY 7 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.37 3d5b s GLY 7 CO 0.00 0.47 0.00 -0.96 0.00 0.00 0.00 173.10 172.61 3d5b n ARG 8 N 3.32 0.00 -3.55 2.90 1.85 -1.26 -4.97 116.66 114.95 3d5b n ARG 8 Ca -0.11 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.61 3d5b n ARG 8 Cb 0.52 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.88 3d5b n ARG 8 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 3d5b s LYS 9 N 0.00 1.09 -0.04 2.89 0.00 -1.26 -5.09 119.74 117.33 3d5b s LYS 9 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 55.97 55.40 3d5b s LYS 9 Cb 0.00 0.50 0.06 0.00 0.00 0.00 0.00 37.83 38.38 3d5b s LYS 9 CO 0.00 -0.41 0.56 -0.51 0.00 0.00 0.00 175.35 174.99 3d5b s LEU 10 N -2.18 -0.18 0.50 2.77 1.02 -1.26 -5.04 118.68 114.31 3d5b s LEU 10 Ca -0.03 0.51 0.07 0.00 0.02 0.00 0.00 54.13 54.70 3d5b s LEU 10 Cb -0.00 2.14 0.03 0.00 0.02 0.00 0.00 46.19 48.38 3d5b s LEU 10 CO -0.04 -0.57 0.48 0.21 0.02 0.00 0.00 176.35 176.45 3d5b s ASN 11 N -1.26 4.90 0.29 2.29 3.84 -1.26 -5.02 114.94 118.73 3d5b s ASN 11 Ca -0.12 -0.97 0.00 0.00 0.21 0.00 0.00 52.86 51.99 3d5b s ASN 11 Cb -0.02 0.03 0.00 0.00 -0.55 0.00 0.00 41.25 40.71 3d5b s ASN 11 CO 0.08 -0.99 0.00 0.54 -2.79 0.00 0.00 177.10 173.93 3d5b n ARG 12 N -1.80 0.00 -4.38 0.43 1.74 -1.26 -4.45 116.66 106.94 3d5b n ARG 12 Ca 0.04 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.91 3d5b n ARG 12 Cb 0.63 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.93 3d5b n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3d5b s HIS 13 N 0.00 1.40 0.00 -1.55 -3.43 -1.26 -4.91 115.29 105.54 3d5b s HIS 13 Ca 0.00 -0.38 0.00 0.00 -0.80 0.00 0.00 55.06 53.88 3d5b s HIS 13 Cb 0.00 -0.82 0.00 0.00 -1.43 0.00 0.00 32.58 30.33 3d5b s HIS 13 CO 0.00 0.07 0.00 -1.13 -2.00 0.00 0.00 174.74 171.68 3d5b n SER 14 N 1.73 0.00 -0.31 7.38 3.41 -1.26 0.14 113.62 124.71 3d5b n SER 14 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3d5b n SER 14 Cb 0.54 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.56 3d5b n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3d5b h SER 15 N 0.00 -1.08 0.00 4.04 4.64 -1.98 0.15 113.55 119.32 3d5b h SER 15 Ca 0.00 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3d5b h SER 15 Cb 0.00 0.62 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3d5b h SER 15 CO 0.00 -0.29 0.00 1.57 -0.87 0.00 0.00 176.83 177.24 3d5b n HIS 16 N -5.51 0.00 -0.36 4.77 -0.00 0.37 -1.14 115.22 113.34 3d5b n HIS 16 Ca 0.10 0.00 0.28 0.00 -0.00 0.00 0.00 57.72 58.10 3d5b n HIS 16 Cb 0.41 -0.42 0.56 0.00 -0.00 0.00 0.00 29.99 30.54 3d5b n HIS 16 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 3d5b h ARG 17 N 0.00 0.27 0.79 1.57 0.11 -0.95 0.27 114.38 116.45 3d5b h ARG 17 Ca 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 3d5b h ARG 17 Cb 0.00 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.03 3d5b h ARG 17 CO 0.00 0.18 -0.38 1.25 0.10 0.00 0.00 179.97 181.12 3d5b h LEU 18 N 0.28 -0.90 -1.86 0.08 7.12 -0.50 -1.15 115.31 118.38 3d5b h LEU 18 Ca 0.68 0.03 0.21 0.00 0.13 0.00 0.00 57.88 58.93 3d5b h LEU 18 Cb 1.87 0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 42.20 3d5b h LEU 18 CO -0.35 -0.59 0.55 0.00 -0.13 0.00 0.00 178.44 177.92 3d5b h ALA 19 N -1.39 2.56 0.90 1.25 0.00 0.55 -1.34 119.26 121.79 3d5b h ALA 19 Ca -0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3d5b h ALA 19 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3d5b h ALA 19 CO 0.18 -0.79 -0.48 1.25 0.00 0.00 0.00 179.25 179.41 3d5b h LEU 20 N 0.12 -1.17 -0.27 0.00 5.85 -0.03 0.13 115.31 119.94 3d5b h LEU 20 Ca 0.38 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.22 3d5b h LEU 20 Cb 1.34 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 42.61 3d5b h LEU 20 CO -0.05 -0.78 -0.30 1.88 -0.34 0.00 0.00 178.44 178.86 3d5b h TYR 21 N -1.27 -0.81 -0.54 1.25 -1.99 -0.16 0.44 116.97 113.89 3d5b h TYR 21 Ca -0.12 0.05 0.10 0.00 2.00 0.00 0.00 58.73 60.76 3d5b h TYR 21 Cb 0.99 0.40 -0.08 0.00 2.00 0.00 0.00 36.73 40.03 3d5b h TYR 21 CO -0.04 -0.37 0.05 0.00 -0.00 0.00 0.00 178.16 177.80 3d5b h ARG 22 N -0.29 0.17 -0.01 4.88 3.08 -1.26 0.25 114.38 121.19 3d5b h ARG 22 Ca 0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3d5b h ARG 22 Cb 0.52 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3d5b h ARG 22 CO -0.43 0.11 0.01 -0.91 -1.07 0.00 0.00 179.97 177.67 3d5b h ASN 23 N 0.17 0.01 0.44 7.04 2.35 0.25 0.11 115.58 125.95 3d5b h ASN 23 Ca 0.28 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 3d5b h ASN 23 Cb 0.41 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3d5b h ASN 23 CO -0.41 0.02 -0.09 1.56 -1.65 0.00 0.00 177.43 176.86 3d5b h GLN 24 N 0.01 0.00 0.26 0.81 4.20 -0.48 -0.26 115.11 119.65 3d5b h GLN 24 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3d5b h GLN 24 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3d5b h GLN 24 CO -0.00 0.09 -0.13 0.00 -0.67 0.00 0.00 178.83 178.12 3d5b h ALA 25 N 1.91 -0.35 -0.25 3.87 0.00 0.26 -0.93 119.26 123.76 3d5b h ALA 25 Ca -0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3d5b h ALA 25 Cb 0.33 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 3d5b h ALA 25 CO 0.01 -0.40 -0.33 0.87 0.00 0.00 0.00 179.25 179.40 3d5b h LYS 26 N -0.96 -0.33 -0.63 0.00 1.57 -0.51 0.66 116.57 116.38 3d5b h LYS 26 Ca -0.04 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3d5b h LYS 26 Cb 0.48 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 3d5b h LYS 26 CO 0.06 -0.22 0.35 0.77 -0.57 0.00 0.00 179.45 179.84 3d5b h SER 27 N -0.34 0.53 0.35 0.86 0.02 -1.15 -2.11 113.55 111.71 3d5b h SER 27 Ca 0.13 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3d5b h SER 27 Cb 0.55 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3d5b h SER 27 CO -0.44 0.35 -0.23 0.25 -1.14 0.00 0.00 176.83 175.62 3d5b h LEU 28 N 0.66 -0.57 0.00 5.07 7.12 0.06 -1.57 115.31 126.08 3d5b h LEU 28 Ca 0.27 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.32 3d5b h LEU 28 Cb 0.14 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 3d5b h LEU 28 CO -0.16 -0.36 0.00 0.18 -0.13 0.00 0.00 178.44 177.97 3d5b n LEU 29 N -5.35 0.00 0.01 2.25 4.77 0.11 0.11 117.00 118.89 3d5b n LEU 29 Ca -0.10 0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 56.01 3d5b n LEU 29 Cb 0.26 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 40.87 3d5b n LEU 29 CO 0.33 -0.21 -0.77 0.74 -1.33 0.00 0.00 177.39 176.15 3d5b h THR 30 N 0.00 0.66 0.00 -5.08 2.02 -0.61 -3.42 112.91 106.48 3d5b h THR 30 Ca 0.00 -2.38 -0.03 0.00 0.77 0.00 0.00 66.41 64.78 3d5b h THR 30 Cb 0.13 2.52 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 3d5b h THR 30 CO 0.00 0.88 -1.25 1.41 0.37 0.00 0.00 175.52 176.93 3d5b n HIS 31 N -3.46 0.00 0.00 3.16 8.25 -0.85 -5.04 115.22 117.28 3d5b n HIS 31 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 3d5b n HIS 31 Cb 1.05 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 32.02 3d5b n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d5b n GLY 32 N 2.38 1.86 3.47 -1.41 0.00 0.30 -4.88 105.19 106.91 3d5b n GLY 32 Ca -0.03 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3d5b n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5b s ARG 33 N 0.00 3.12 0.02 1.61 3.00 -1.26 -3.42 118.95 122.02 3d5b s ARG 33 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 55.73 55.02 3d5b s ARG 33 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 34.95 30.91 3d5b s ARG 33 CO 0.00 -1.01 -0.22 0.42 0.00 0.00 0.00 175.30 174.49 3d5b s ILE 34 N 2.37 1.76 -0.13 1.52 -1.09 -1.18 -4.99 121.20 119.47 3d5b s ILE 34 Ca 0.14 -1.12 -0.01 0.00 -2.23 0.00 0.00 60.65 57.44 3d5b s ILE 34 Cb -0.18 -1.50 -0.02 0.00 -1.58 0.00 0.00 42.46 39.18 3d5b s ILE 34 CO 0.13 0.35 -0.11 0.42 -1.23 0.00 0.00 174.94 174.50 3d5b s THR 35 N -0.68 3.24 0.00 2.92 -4.23 -1.26 -1.03 115.64 114.61 3d5b s THR 35 Ca 0.09 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3d5b s THR 35 Cb -0.09 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3d5b s THR 35 CO 0.01 0.52 0.00 1.07 -0.54 0.00 0.00 174.62 175.68 3d5b n THR 36 N 3.41 0.00 -1.96 3.99 5.66 -1.21 -4.95 114.28 119.22 3d5b n THR 36 Ca -0.18 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.52 3d5b n THR 36 Cb 0.53 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.33 3d5b n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3d5b s THR 37 N -2.61 4.34 0.11 1.09 -4.23 -1.26 0.30 115.64 113.37 3d5b s THR 37 Ca 0.00 0.68 -0.33 0.00 -1.18 0.00 0.00 61.69 60.86 3d5b s THR 37 Cb 0.00 -3.74 -0.13 0.00 1.34 0.00 0.00 72.50 69.97 3d5b s THR 37 CO 0.00 -0.95 1.57 0.58 -0.54 0.00 0.00 174.62 175.28 3d5b h VAL 38 N -0.36 0.09 0.94 2.29 2.07 -1.62 -1.86 116.25 117.79 3d5b h VAL 38 Ca -0.45 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 3d5b h VAL 38 Cb 1.21 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3d5b h VAL 38 CO 0.62 0.00 -0.47 -0.65 0.02 0.00 0.00 177.57 177.10 3d5b h PRO 39 N -0.75 -1.24 -1.02 1.57 0.11 -1.94 -1.93 132.00 126.80 3d5b h PRO 39 Ca -0.00 0.08 0.41 0.00 0.11 0.00 0.00 66.00 66.60 3d5b h PRO 39 Cb 0.74 0.28 -0.17 0.00 0.11 0.00 0.00 31.00 31.96 3d5b h PRO 39 CO -0.22 -0.82 0.57 0.87 -0.21 0.00 0.00 178.00 178.18 3d5b h LYS 40 N -1.28 0.04 0.65 1.05 1.57 -1.95 0.33 116.57 116.98 3d5b h LYS 40 Ca -0.13 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3d5b h LYS 40 Cb 0.99 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.30 3d5b h LYS 40 CO 0.20 0.03 -0.31 0.00 -0.57 0.00 0.00 179.45 178.79 3d5b h ALA 41 N 1.96 -0.87 -0.69 3.86 0.00 -1.08 -1.28 119.26 121.15 3d5b h ALA 41 Ca 0.84 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.69 3d5b h ALA 41 Cb 2.21 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 20.22 3d5b h ALA 41 CO -0.73 -0.84 -0.08 0.87 0.00 0.00 0.00 179.25 178.47 3d5b h LYS 42 N -1.18 0.05 -0.02 0.00 1.57 0.42 0.46 116.57 117.86 3d5b h LYS 42 Ca -0.09 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3d5b h LYS 42 Cb 0.69 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 3d5b h LYS 42 CO 0.15 0.03 -0.01 0.93 -0.57 0.00 0.00 179.45 179.98 3d5b h GLU 43 N 0.05 0.04 -0.88 3.15 3.07 -1.39 -3.00 114.58 115.63 3d5b h GLU 43 Ca 0.35 -0.02 0.16 0.00 -0.50 0.00 0.00 59.36 59.36 3d5b h GLU 43 Cb 0.58 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.42 3d5b h GLU 43 CO -0.66 0.41 0.57 1.25 -1.40 0.00 0.00 179.01 179.19 3d5b h LEU 44 N -0.33 0.57 -0.08 1.33 7.12 -0.14 -1.91 115.31 121.87 3d5b h LEU 44 Ca 0.01 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.09 3d5b h LEU 44 Cb 0.40 -0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.40 3d5b h LEU 44 CO 0.00 0.27 -0.43 -0.09 -0.13 0.00 0.00 178.44 178.06 3d5b h ARG 45 N 0.59 -0.52 -0.48 1.25 2.43 0.01 -0.74 114.38 116.93 3d5b h ARG 45 Ca 0.45 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.68 3d5b h ARG 45 Cb 0.85 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 3d5b h ARG 45 CO -0.20 -0.34 0.26 0.78 -1.51 0.00 0.00 179.97 178.96 3d5b h GLY 46 N -0.54 0.67 0.76 2.80 0.00 -1.36 -2.53 103.07 102.87 3d5b h GLY 46 Ca 0.06 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.22 3d5b h GLY 46 CO -0.37 0.15 -0.07 -2.75 0.00 0.00 0.00 176.54 173.50 3d5b h PHE 47 N 0.52 -0.18 0.25 5.60 3.57 -1.08 -3.00 116.94 122.62 3d5b h PHE 47 Ca 0.20 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3d5b h PHE 47 Cb 0.06 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3d5b h PHE 47 CO -0.08 -0.12 -0.12 0.28 -2.23 0.00 0.00 178.31 176.04 3d5b h VAL 48 N -0.11 0.79 -0.87 1.41 2.07 -1.02 -2.93 116.25 115.58 3d5b h VAL 48 Ca 0.04 -0.25 0.23 0.00 0.82 0.00 0.00 66.70 67.54 3d5b h VAL 48 Cb 0.17 0.94 -0.15 0.00 -1.52 0.00 0.00 31.29 30.73 3d5b h VAL 48 CO -0.10 0.06 0.12 0.44 0.02 0.00 0.00 177.57 178.10 3d5b h ASP 49 N -0.46 -0.22 -0.18 0.57 5.19 -1.43 0.34 116.42 120.23 3d5b h ASP 49 Ca -0.03 0.22 0.05 0.00 -0.62 0.00 0.00 57.03 56.65 3d5b h ASP 49 Cb 0.35 0.35 -0.06 0.00 0.18 0.00 0.00 39.33 40.15 3d5b h ASP 49 CO 0.06 -0.22 -0.20 -0.74 -3.12 0.00 0.00 179.24 175.02 3d5b h HIS 50 N 0.12 -0.52 -0.93 4.55 -0.00 -1.37 0.13 115.15 117.14 3d5b h HIS 50 Ca 0.53 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.99 3d5b h HIS 50 Cb 1.05 0.26 -0.06 0.00 -0.00 0.00 0.00 27.41 28.66 3d5b h HIS 50 CO -0.37 -0.28 0.60 -0.07 -0.00 0.00 0.00 177.93 177.82 3d5b h LEU 51 N -0.23 0.95 0.19 0.26 3.38 -0.31 0.36 115.31 119.91 3d5b h LEU 51 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3d5b h LEU 51 Cb 0.40 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3d5b h LEU 51 CO -0.31 0.61 -0.09 0.40 0.09 0.00 0.00 178.44 179.14 3d5b h ILE 52 N 1.08 0.90 -0.76 1.22 1.08 -0.14 0.57 117.51 121.47 3d5b h ILE 52 Ca 0.39 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3d5b h ILE 52 Cb 0.16 1.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.13 3d5b h ILE 52 CO -0.14 0.13 0.42 -0.74 -0.69 0.00 0.00 178.15 177.13 3d5b h HIS 53 N -0.56 1.03 -0.10 1.37 2.76 -0.50 0.62 115.15 119.76 3d5b h HIS 53 Ca -0.03 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 3d5b h HIS 53 Cb 0.42 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3d5b h HIS 53 CO 0.02 0.71 -0.11 1.25 -1.30 0.00 0.00 177.93 178.50 3d5b h LEU 54 N 1.06 0.14 -0.07 0.26 6.46 -0.20 -0.99 115.31 121.97 3d5b h LEU 54 Ca 0.27 -0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.89 3d5b h LEU 54 Cb 0.02 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 3d5b h LEU 54 CO -0.04 0.27 -0.55 0.00 -0.62 0.00 0.00 178.44 177.50 3d5b h ALA 55 N 1.75 0.66 -0.29 1.25 0.00 0.15 -3.04 119.26 119.75 3d5b h ALA 55 Ca 0.03 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.52 3d5b h ALA 55 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3d5b h ALA 55 CO 0.02 0.69 0.36 -0.22 0.00 0.00 0.00 179.25 180.09 3d5b h LYS 56 N 0.00 0.00 0.00 0.00 1.63 0.15 -3.39 116.57 114.96 3d5b h LYS 56 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3d5b h LYS 56 Cb 1.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 3d5b h LYS 56 CO 0.07 0.00 0.00 -2.13 -3.45 0.00 0.00 179.45 173.94 3d5b n ARG 57 N -3.61 3.11 0.16 1.90 0.63 -1.15 -5.02 116.66 112.68 3d5b n ARG 57 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 3d5b n ARG 57 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 3d5b n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3d5b n GLY 58 N 2.78 -1.31 3.10 5.14 0.00 -1.26 -5.11 105.19 108.54 3d5b n GLY 58 Ca 0.00 0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 3d5b n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d5b n ASP 59 N -3.19 -1.12 0.33 1.61 3.85 -1.26 -4.59 116.55 112.18 3d5b n ASP 59 Ca 0.00 1.03 0.21 0.00 -0.71 0.00 0.00 54.79 55.32 3d5b n ASP 59 Cb 0.00 -0.87 1.15 0.00 -1.35 0.00 0.00 41.12 40.05 3d5b n ASP 59 CO 0.00 0.00 0.00 0.17 -1.01 0.00 0.00 177.20 176.36 3d5b h LEU 60 N 0.94 0.00 0.01 -2.12 -0.00 -2.00 -0.41 115.31 111.72 3d5b h LEU 60 Ca -0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.62 3d5b h LEU 60 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 3d5b h LEU 60 CO 0.52 0.00 -0.00 -0.74 -0.00 0.00 0.00 178.44 178.22 3d5b h HIS 61 N 0.00 -0.01 -0.90 0.17 2.76 -1.99 0.35 115.15 115.54 3d5b h HIS 61 Ca 0.00 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 3d5b h HIS 61 Cb 0.02 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.92 3d5b h HIS 61 CO 0.00 0.04 0.58 0.00 -1.30 0.00 0.00 177.93 177.25 3d5b h ALA 62 N 0.94 1.54 0.40 5.26 0.00 -1.39 0.30 119.26 126.31 3d5b h ALA 62 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3d5b h ALA 62 Cb 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3d5b h ALA 62 CO 0.00 0.31 -0.25 -0.09 0.00 0.00 0.00 179.25 179.22 3d5b h ARG 63 N 0.99 -0.59 -0.46 0.00 2.43 -0.92 -1.45 114.38 114.38 3d5b h ARG 63 Ca 0.39 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.74 3d5b h ARG 63 Cb 0.25 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3d5b h ARG 63 CO -0.15 -0.39 0.52 0.00 -1.51 0.00 0.00 179.97 178.43 3d5b h ARG 64 N -0.61 0.00 -0.22 0.20 3.08 0.02 0.29 114.38 117.15 3d5b h ARG 64 Ca -0.05 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 3d5b h ARG 64 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3d5b h ARG 64 CO 0.05 0.00 -0.52 1.25 -1.07 0.00 0.00 179.97 179.68 3d5b h LEU 65 N 0.00 0.83 -0.10 3.04 5.85 -0.43 -2.54 115.31 121.95 3d5b h LEU 65 Ca 0.22 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3d5b h LEU 65 Cb 1.25 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3d5b h LEU 65 CO -0.00 1.24 0.00 0.52 -0.34 0.00 0.00 178.44 179.86 3d5b n VAL 66 N -4.12 0.52 1.63 1.05 0.31 0.86 -2.27 118.33 116.32 3d5b n VAL 66 Ca -0.06 0.05 0.15 0.00 -0.01 0.00 0.00 64.34 64.47 3d5b n VAL 66 Cb 0.61 -0.75 0.81 0.00 -0.91 0.00 0.00 33.84 33.59 3d5b n VAL 66 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3d5b n LEU 67 N -1.76 0.08 0.06 7.52 7.99 -0.24 -1.98 117.00 128.68 3d5b n LEU 67 Ca 0.05 0.14 -0.15 0.00 -0.01 0.00 0.00 56.01 56.03 3d5b n LEU 67 Cb 0.29 -0.17 -0.14 0.00 -0.11 0.00 0.00 43.42 43.30 3d5b n LEU 67 CO 0.23 0.01 -0.29 0.03 -1.51 0.00 0.00 177.39 175.86 3d5b h ARG 68 N 0.11 0.21 0.00 3.23 3.08 -1.40 -3.42 114.38 116.19 3d5b h ARG 68 Ca 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3d5b h ARG 68 Cb 0.20 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3d5b h ARG 68 CO 0.00 1.07 0.00 -0.25 -1.07 0.00 0.00 179.97 179.72 3d5b n ASP 69 N -3.42 0.00 -4.71 7.04 10.43 -1.18 -4.87 116.55 119.83 3d5b n ASP 69 Ca -0.15 0.22 -0.42 0.00 2.57 0.00 0.00 54.79 57.01 3d5b n ASP 69 Cb 1.03 -0.33 -0.03 0.00 1.84 0.00 0.00 41.12 43.63 3d5b n ASP 69 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3d5b s LEU 70 N -3.44 4.36 -0.19 0.64 1.43 -0.84 -4.94 118.68 115.71 3d5b s LEU 70 Ca 0.00 1.91 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 3d5b s LEU 70 Cb 0.00 -3.58 -0.21 0.00 0.03 0.00 0.00 46.19 42.43 3d5b s LEU 70 CO 0.00 -0.42 0.06 1.67 0.23 0.00 0.00 176.35 177.88 3d5b n GLN 71 N 4.01 0.68 -1.57 1.70 -0.06 -1.26 -4.08 117.38 116.79 3d5b n GLN 71 Ca 0.08 0.17 -0.42 0.00 -2.00 0.00 0.00 57.00 54.83 3d5b n GLN 71 Cb 0.48 -1.59 -0.04 0.00 -4.06 0.00 0.00 30.24 25.03 3d5b n GLN 71 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 3d5b n ASP 72 N -3.22 2.85 -0.16 1.69 4.64 -1.26 -4.83 116.55 116.27 3d5b n ASP 72 Ca -0.38 0.00 0.02 0.00 -1.38 0.00 0.00 54.79 53.06 3d5b n ASP 72 Cb 1.04 -1.53 0.31 0.00 -1.04 0.00 0.00 41.12 39.89 3d5b n ASP 72 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3d5b h VAL 73 N 7.33 1.14 -0.51 5.18 2.07 -2.00 -1.30 116.25 128.16 3d5b h VAL 73 Ca -0.34 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3d5b h VAL 73 Cb 1.26 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3d5b h VAL 73 CO 1.03 0.16 0.12 0.11 0.02 0.00 0.00 177.57 179.01 3d5b h LYS 74 N 0.86 0.78 0.29 1.57 1.57 -1.99 -0.82 116.57 118.83 3d5b h LYS 74 Ca 0.25 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3d5b h LYS 74 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3d5b h LYS 74 CO -0.06 0.71 -0.14 1.25 -0.57 0.00 0.00 179.45 180.64 3d5b h LEU 75 N 0.76 -0.33 -1.06 2.94 7.12 -1.64 -2.49 115.31 120.61 3d5b h LEU 75 Ca 0.17 -0.21 0.11 0.00 0.13 0.00 0.00 57.88 58.07 3d5b h LEU 75 Cb 0.28 0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 40.42 3d5b h LEU 75 CO -0.00 0.11 0.62 1.62 -0.13 0.00 0.00 178.44 180.66 3d5b h VAL 76 N -0.85 0.96 -0.70 1.05 3.04 -1.40 0.21 116.25 118.56 3d5b h VAL 76 Ca -0.04 -0.34 0.13 0.00 -1.01 0.00 0.00 66.70 65.44 3d5b h VAL 76 Cb 0.52 -0.13 -0.09 0.00 -2.01 0.00 0.00 31.29 29.58 3d5b h VAL 76 CO 0.06 0.18 0.22 -0.09 -1.01 0.00 0.00 177.57 176.94 3d5b h ARG 77 N 1.00 0.34 -0.72 4.17 2.43 -1.07 0.32 114.38 120.85 3d5b h ARG 77 Ca 0.47 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.59 3d5b h ARG 77 Cb 0.42 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3d5b h ARG 77 CO -0.23 0.23 0.37 -0.22 -1.51 0.00 0.00 179.97 178.61 3d5b h LYS 78 N 0.35 1.02 -0.79 0.20 3.64 -0.50 -2.75 116.57 117.74 3d5b h LYS 78 Ca 0.38 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3d5b h LYS 78 Cb 0.59 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 3d5b h LYS 78 CO -0.42 0.77 0.49 1.25 -2.27 0.00 0.00 179.45 179.27 3d5b h LEU 79 N 1.02 0.94 -0.99 5.20 6.46 -0.40 0.24 115.31 127.77 3d5b h LEU 79 Ca 0.25 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 3d5b h LEU 79 Cb 0.07 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 3d5b h LEU 79 CO -0.04 0.72 0.00 0.49 -0.62 0.00 0.00 178.44 178.99 3d5b n PHE 80 N -4.49 0.29 0.01 1.25 3.72 -0.86 -0.78 117.46 116.61 3d5b n PHE 80 Ca 0.08 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3d5b n PHE 80 Cb 0.05 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3d5b n PHE 80 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3d5b n ASP 81 N 0.02 0.06 -0.08 4.37 8.00 -0.43 -4.91 116.55 123.57 3d5b n ASP 81 Ca 0.05 0.05 -0.18 0.00 0.71 0.00 0.00 54.79 55.42 3d5b n ASP 81 Cb 0.27 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 3d5b n ASP 81 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3d5b n GLU 82 N -2.85 0.37 0.46 -1.24 2.13 0.70 -4.59 120.64 115.62 3d5b n GLU 82 Ca 0.00 0.16 -0.19 0.00 0.66 0.00 0.00 57.16 57.79 3d5b n GLU 82 Cb 0.21 -1.12 -0.09 0.00 0.27 0.00 0.00 31.44 30.70 3d5b n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3d5b h ILE 83 N -0.63 0.15 0.53 6.31 1.08 -1.55 -2.86 117.51 120.53 3d5b h ILE 83 Ca -0.41 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 3d5b h ILE 83 Cb 1.32 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.22 3d5b h ILE 83 CO -0.25 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 176.89 3d5b h ALA 84 N -1.03 -0.81 -0.73 1.87 0.00 -1.23 -3.01 119.26 114.32 3d5b h ALA 84 Ca -0.12 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.75 3d5b h ALA 84 Cb 0.89 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 3d5b h ALA 84 CO 0.19 -0.97 0.33 -1.35 0.00 0.00 0.00 179.25 177.46 3d5b h PRO 85 N -0.80 0.52 -0.99 0.00 0.11 -1.81 -0.21 132.00 128.82 3d5b h PRO 85 Ca -0.06 -0.03 0.26 0.00 0.11 0.00 0.00 66.00 66.27 3d5b h PRO 85 Cb 0.65 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.58 3d5b h PRO 85 CO 0.06 0.34 0.67 0.00 -0.21 0.00 0.00 178.00 178.87 3d5b h ARG 86 N 0.53 0.25 -0.51 1.05 3.08 -1.36 0.21 114.38 117.63 3d5b h ARG 86 Ca 0.38 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3d5b h ARG 86 Cb 0.48 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3d5b h ARG 86 CO -0.32 0.17 0.00 0.66 -1.07 0.00 0.00 179.97 179.40 3d5b n TYR 87 N -4.45 1.76 -1.60 3.04 4.01 -0.11 -4.98 117.16 114.83 3d5b n TYR 87 Ca 0.22 -0.75 -0.43 0.00 -0.16 0.00 0.00 57.90 56.78 3d5b n TYR 87 Cb 0.90 -0.44 -0.00 0.00 -0.31 0.00 0.00 39.34 39.48 3d5b n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3d5b n ARG 88 N 0.43 1.36 -1.41 -0.72 3.00 0.74 -1.23 116.66 118.82 3d5b n ARG 88 Ca 0.26 0.48 -0.15 0.00 -0.00 0.00 0.00 57.85 58.45 3d5b n ARG 88 Cb 1.09 -1.92 -0.06 0.00 0.00 0.00 0.00 32.46 31.57 3d5b n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3d5b n ASP 89 N 0.97 -5.52 -3.10 6.15 8.00 -1.26 -4.84 116.55 116.95 3d5b n ASP 89 Ca 0.09 0.36 -0.33 0.00 0.71 0.00 0.00 54.79 55.62 3d5b n ASP 89 Cb 0.35 -4.38 -0.00 0.00 -0.02 0.00 0.00 41.12 37.07 3d5b n ASP 89 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3d5b n ARG 90 N -1.39 3.95 -1.67 -1.24 0.63 -0.36 -5.05 116.66 111.52 3d5b n ARG 90 Ca -0.15 -4.57 -0.47 0.00 -0.92 0.00 0.00 57.85 51.74 3d5b n ARG 90 Cb 0.62 -2.32 -0.04 0.00 0.45 0.00 0.00 32.46 31.16 3d5b n ARG 90 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3d5b n GLN 91 N -0.26 2.13 -0.60 -0.14 6.02 -1.26 -4.65 117.38 118.62 3d5b n GLN 91 Ca 0.41 0.77 0.07 0.00 -0.01 0.00 0.00 57.00 58.23 3d5b n GLN 91 Cb 0.37 -2.56 -0.04 0.00 1.02 0.00 0.00 30.24 29.03 3d5b n GLN 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d5b n GLY 92 N 3.74 -2.97 3.58 1.08 0.00 -1.26 -4.95 105.19 104.41 3d5b n GLY 92 Ca 0.19 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 3d5b n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5b n GLY 93 N -2.91 -1.21 0.16 -0.02 0.00 -1.26 -4.88 105.19 95.07 3d5b n GLY 93 Ca -0.04 0.53 0.13 0.00 0.00 0.00 0.00 46.02 46.63 3d5b n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d5b n TYR 94 N -2.82 0.00 -4.21 1.61 4.02 -1.26 -4.91 117.16 109.59 3d5b n TYR 94 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.59 3d5b n TYR 94 Cb 0.61 -0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.66 3d5b n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3d5b s THR 95 N -2.66 0.24 -0.01 -0.72 -1.32 -1.26 -3.66 115.64 106.25 3d5b s THR 95 Ca 0.20 -1.96 0.05 0.00 -1.21 0.00 0.00 61.69 58.77 3d5b s THR 95 Cb 0.19 -2.30 -0.01 0.00 -1.51 0.00 0.00 72.50 68.86 3d5b s THR 95 CO 0.57 -0.24 -0.16 -0.60 -2.21 0.00 0.00 174.62 171.99 3d5b s ARG 96 N -4.06 1.26 -0.14 7.08 3.52 0.41 -4.76 118.95 122.27 3d5b s ARG 96 Ca 0.31 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.34 3d5b s ARG 96 Cb 0.07 -1.22 -0.00 0.00 -1.56 0.00 0.00 34.95 32.24 3d5b s ARG 96 CO 0.07 0.33 -0.19 0.14 -0.81 0.00 0.00 175.30 174.85 3d5b s VAL 97 N -0.41 2.43 -0.02 7.11 -7.23 -1.26 0.77 120.40 121.79 3d5b s VAL 97 Ca 0.06 -0.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 3d5b s VAL 97 Cb -0.06 -1.99 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 3d5b s VAL 97 CO -0.00 0.53 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.45 3d5b s LEU 98 N 0.65 1.86 0.19 1.32 1.43 0.46 -4.96 118.68 119.64 3d5b s LEU 98 Ca -0.09 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 3d5b s LEU 98 Cb -0.16 -0.63 -0.08 0.00 0.03 0.00 0.00 46.19 45.35 3d5b s LEU 98 CO 0.02 0.10 1.17 -0.54 0.23 0.00 0.00 176.35 177.32 3d5b s LYS 99 N 0.06 4.53 0.07 1.70 -0.14 -1.26 0.03 119.74 124.73 3d5b s LYS 99 Ca -0.01 1.83 0.01 0.00 -1.36 0.00 0.00 55.97 56.44 3d5b s LYS 99 Cb -0.08 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 3d5b s LYS 99 CO 0.00 -0.02 0.15 -0.51 -0.76 0.00 0.00 175.35 174.21 3d5b s LEU 100 N -0.40 4.09 0.37 3.17 2.01 -1.06 -4.88 118.68 121.98 3d5b s LEU 100 Ca 0.51 0.14 0.24 0.00 0.01 0.00 0.00 54.13 55.02 3d5b s LEU 100 Cb -0.32 -2.73 0.43 0.00 0.01 0.00 0.00 46.19 43.58 3d5b s LEU 100 CO 0.37 0.17 1.61 0.00 1.01 0.00 0.00 176.35 179.51 3d5b h ALA 101 N 3.17 0.96 -2.31 4.21 0.00 -1.97 -3.42 119.26 119.91 3d5b h ALA 101 Ca -0.46 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 53.98 3d5b h ALA 101 Cb 1.16 0.00 0.16 0.00 0.00 0.00 0.00 17.79 19.11 3d5b h ALA 101 CO 0.71 0.00 0.20 -1.21 0.00 0.00 0.00 179.25 178.95 3d5b s GLU 102 N -3.19 0.72 -0.27 0.00 2.02 -1.26 -5.02 118.70 111.69 3d5b s GLU 102 Ca 0.07 0.78 -0.02 0.00 0.02 0.00 0.00 54.97 55.83 3d5b s GLU 102 Cb 0.07 -1.75 0.12 0.00 0.10 0.00 0.00 34.13 32.68 3d5b s GLU 102 CO 0.66 -2.60 0.27 1.03 0.02 0.00 0.00 175.26 174.64 3d5b s ARG 103 N -4.86 0.28 -0.47 1.61 0.52 -1.26 -3.88 118.95 110.89 3d5b s ARG 103 Ca 0.65 -0.08 -0.44 0.00 -0.52 0.00 0.00 55.73 55.33 3d5b s ARG 103 Cb -0.19 -0.81 -0.19 0.00 0.52 0.00 0.00 34.95 34.28 3d5b s ARG 103 CO 0.58 -0.94 1.60 -2.13 0.02 0.00 0.00 175.30 174.44 3d5b n ARG 104 N 5.31 0.00 -1.67 3.54 3.00 -0.38 -4.67 116.66 121.79 3d5b n ARG 104 Ca -0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.45 3d5b n ARG 104 Cb 0.47 -1.42 0.08 0.00 0.00 0.00 0.00 32.46 31.58 3d5b n ARG 104 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3d5b n ARG 105 N 4.35 1.02 0.00 -0.14 0.63 -1.26 -0.58 116.66 120.68 3d5b n ARG 105 Ca 0.33 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 3d5b n ARG 105 Cb -0.05 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 30.34 3d5b n ARG 105 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3d5b n GLY 106 N 0.90 2.24 0.08 5.14 0.00 -1.26 -4.45 105.19 107.84 3d5b n GLY 106 Ca 0.16 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.81 3d5b n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d5b n ASP 107 N 2.46 0.68 -2.65 1.61 3.85 -1.22 -5.01 116.55 116.27 3d5b n ASP 107 Ca 0.00 -0.84 -0.20 0.00 -0.71 0.00 0.00 54.79 53.04 3d5b n ASP 107 Cb 0.00 0.75 0.03 0.00 -1.35 0.00 0.00 41.12 40.55 3d5b n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d5b n GLY 108 N 0.99 -0.36 3.73 6.12 0.00 0.26 -4.95 105.19 110.98 3d5b n GLY 108 Ca 0.02 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3d5b n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5b s ALA 109 N -3.10 3.38 -0.63 4.61 0.00 -1.17 -4.75 121.76 120.11 3d5b s ALA 109 Ca 0.27 0.85 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 3d5b s ALA 109 Cb -0.12 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3d5b s ALA 109 CO 0.33 -0.29 1.25 -1.25 0.00 0.00 0.00 175.76 175.80 3d5b s PRO 110 N -0.05 3.37 0.99 0.00 0.04 -1.26 -1.25 135.00 136.83 3d5b s PRO 110 Ca 0.52 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 3d5b s PRO 110 Cb -0.30 -4.09 0.18 0.00 0.04 0.00 0.00 34.50 30.34 3d5b s PRO 110 CO 0.34 -1.88 1.13 -0.51 0.04 0.00 0.00 177.00 176.12 3d5b s LEU 111 N 5.39 1.71 0.00 -3.56 1.43 -1.25 -1.90 118.68 120.50 3d5b s LEU 111 Ca 0.42 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 3d5b s LEU 111 Cb -0.08 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.04 3d5b s LEU 111 CO 0.22 -2.99 0.00 0.00 0.23 0.00 0.00 176.35 173.81 3d5b n ALA 112 N -4.05 0.00 -3.71 4.21 0.00 0.15 -2.55 120.51 114.55 3d5b n ALA 112 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 3d5b n ALA 112 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 3d5b n ALA 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3d5b s LEU 113 N 0.00 0.27 -0.71 0.00 2.96 0.10 -3.35 118.68 117.96 3d5b s LEU 113 Ca 0.00 0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 54.34 3d5b s LEU 113 Cb 0.00 0.72 0.18 0.00 0.50 0.00 0.00 46.19 47.59 3d5b s LEU 113 CO 0.00 -0.18 0.60 -0.69 -1.32 0.00 0.00 176.35 174.76 3d5b s VAL 114 N 1.49 4.85 -0.12 1.68 1.01 -0.19 -0.40 120.40 128.72 3d5b s VAL 114 Ca -0.07 -2.48 -0.11 0.00 0.00 0.00 0.00 61.98 59.32 3d5b s VAL 114 Cb -0.11 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3d5b s VAL 114 CO -0.08 -0.94 0.24 -0.70 0.00 0.00 0.00 175.10 173.61 3d5b s GLU 115 N 0.33 3.87 -0.64 2.72 2.12 0.23 -3.08 118.70 124.25 3d5b s GLU 115 Ca 0.15 0.04 -0.27 0.00 0.36 0.00 0.00 54.97 55.24 3d5b s GLU 115 Cb -0.16 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 30.95 3d5b s GLU 115 CO -0.05 0.54 1.36 -0.51 -0.54 0.00 0.00 175.26 176.06 3d5b s LEU 116 N -0.43 3.30 0.38 2.70 1.43 -1.22 0.16 118.68 125.01 3d5b s LEU 116 Ca 0.16 -0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 3d5b s LEU 116 Cb -0.13 -2.83 -0.15 0.00 0.03 0.00 0.00 46.19 43.11 3d5b s LEU 116 CO 0.05 -1.78 0.27 0.55 0.23 0.00 0.00 176.35 175.68 3d5b n VAL 117 N 6.66 1.13 -0.78 -1.59 3.14 -1.24 -4.93 118.33 120.72 3d5b n VAL 117 Ca 0.09 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 3d5b n VAL 117 Cb 0.49 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 3d5b n VAL 117 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58