#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fu0 s GLU 2 N 0.00 1.35 -0.01 2.12 2.02 0.37 -4.99 118.70 119.55 1fu0 s GLU 2 Ca 0.00 -1.02 -0.05 0.00 0.02 0.00 0.00 54.97 53.92 1fu0 s GLU 2 Cb 0.00 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.71 1fu0 s GLU 2 CO 0.00 0.38 0.10 0.21 0.02 0.00 0.00 175.26 175.97 1fu0 s LYS 3 N -1.39 0.31 -0.16 1.61 2.20 -1.26 -0.30 119.74 120.74 1fu0 s LYS 3 Ca 0.08 -0.20 -0.11 0.00 -0.36 0.00 0.00 55.97 55.37 1fu0 s LYS 3 Cb -0.09 0.13 0.05 0.00 -1.51 0.00 0.00 37.83 36.41 1fu0 s LYS 3 CO 0.03 -0.06 0.41 0.21 -0.36 0.00 0.00 175.35 175.58 1fu0 s LYS 4 N -0.79 0.43 -0.22 4.03 2.47 -0.20 -4.99 119.74 120.47 1fu0 s LYS 4 Ca -0.09 0.70 -0.10 0.00 -1.56 0.00 0.00 55.97 54.92 1fu0 s LYS 4 Cb -0.05 0.09 -0.05 0.00 -1.46 0.00 0.00 37.83 36.36 1fu0 s LYS 4 CO 0.01 -0.11 0.13 -2.00 0.16 0.00 0.00 175.35 173.54 1fu0 s GLU 5 N 0.88 4.09 0.27 4.03 2.12 -1.26 -0.60 118.70 128.23 1fu0 s GLU 5 Ca -0.05 -0.27 0.12 0.00 0.36 0.00 0.00 54.97 55.13 1fu0 s GLU 5 Cb -0.06 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 1fu0 s GLU 5 CO -0.07 0.16 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.55 1fu0 s PHE 6 N 0.75 2.29 -0.20 5.30 0.08 0.53 -4.97 117.98 121.75 1fu0 s PHE 6 Ca 0.07 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 1fu0 s PHE 6 Cb -0.13 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.33 1fu0 s PHE 6 CO 0.02 0.69 -0.13 -1.58 -0.10 0.00 0.00 175.22 174.11 1fu0 s HIS 7 N -2.39 2.89 -0.06 0.36 5.65 -1.26 -1.34 115.29 119.14 1fu0 s HIS 7 Ca 0.29 -1.41 -0.30 0.00 0.25 0.00 0.00 55.06 53.88 1fu0 s HIS 7 Cb -0.05 -2.00 -0.03 0.00 -1.18 0.00 0.00 32.58 29.31 1fu0 s HIS 7 CO 0.14 -0.71 1.23 0.42 -0.65 0.00 0.00 174.74 175.17 1fu0 s ILE 8 N 1.35 4.20 -0.21 0.89 -1.09 0.65 -4.46 121.20 122.53 1fu0 s ILE 8 Ca 0.04 1.52 0.10 0.00 -2.23 0.00 0.00 60.65 60.08 1fu0 s ILE 8 Cb -0.14 -3.98 -0.13 0.00 -1.58 0.00 0.00 42.46 36.63 1fu0 s ILE 8 CO -0.08 -0.02 0.30 1.33 -1.23 0.00 0.00 174.94 175.24 1fu0 n VAL 9 N 4.71 0.00 -1.75 2.92 0.24 0.01 0.19 118.33 124.64 1fu0 n VAL 9 Ca 0.12 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.76 1fu0 n VAL 9 Cb 0.46 0.60 0.01 0.00 -1.47 0.00 0.00 33.84 33.43 1fu0 n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fu0 n ALA 10 N -1.57 2.00 -0.22 2.33 0.00 -1.23 -4.81 120.51 117.02 1fu0 n ALA 10 Ca -0.00 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.73 1fu0 n ALA 10 Cb 0.21 -2.37 0.10 0.00 0.00 0.00 0.00 19.45 17.39 1fu0 n ALA 10 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1fu0 h GLU 11 N 2.56 0.56 -0.00 0.00 4.81 -1.96 -1.34 114.58 119.21 1fu0 h GLU 11 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1fu0 h GLU 11 Cb 1.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1fu0 h GLU 11 CO 0.62 0.37 -0.09 0.25 -0.73 0.00 0.00 179.01 179.43 1fu0 n THR 12 N -4.86 0.00 -4.64 0.32 -2.24 -1.26 -4.47 114.28 97.13 1fu0 n THR 12 Ca 0.08 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1fu0 n THR 12 Cb 0.21 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1fu0 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fu0 n GLY 13 N 1.23 0.79 3.41 3.38 0.00 -0.50 -3.68 105.19 109.82 1fu0 n GLY 13 Ca 0.16 -0.75 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 1fu0 n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fu0 s ILE 14 N 0.00 5.31 0.31 -0.61 1.01 -0.23 -4.84 121.20 122.16 1fu0 s ILE 14 Ca 0.00 -2.58 -0.10 0.00 0.00 0.00 0.00 60.65 57.97 1fu0 s ILE 14 Cb 0.00 -4.74 0.01 0.00 0.01 0.00 0.00 42.46 37.74 1fu0 s ILE 14 CO 0.00 -1.39 0.55 -1.00 0.00 0.00 0.00 174.94 173.09 1fu0 s HIS 15 N 0.87 0.56 0.00 3.97 3.76 -1.24 -4.61 115.29 118.60 1fu0 s HIS 15 Ca 0.34 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 54.30 1fu0 s HIS 15 Cb -0.06 0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.86 1fu0 s HIS 15 CO -0.06 -1.17 0.00 0.00 -0.85 0.00 0.00 174.74 172.66 1fu0 n ALA 16 N -0.48 0.00 -0.07 -1.40 0.00 -1.26 -2.85 120.51 114.45 1fu0 n ALA 16 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1fu0 n ALA 16 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1fu0 n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1fu0 h ARG 17 N 0.00 0.34 -0.95 0.00 2.43 -1.99 -2.44 114.38 111.77 1fu0 h ARG 17 Ca 0.00 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 1fu0 h ARG 17 Cb 0.00 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.40 1fu0 h ARG 17 CO 0.00 0.32 0.58 -1.35 -1.51 0.00 0.00 179.97 178.02 1fu0 h PRO 18 N 0.28 0.92 -0.02 0.20 0.11 -1.91 0.30 132.00 131.88 1fu0 h PRO 18 Ca 0.09 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1fu0 h PRO 18 Cb 0.08 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 1fu0 h PRO 18 CO -0.01 0.61 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 1fu0 h ALA 19 N 1.51 0.03 -0.89 -0.75 0.00 -1.38 -0.84 119.26 116.93 1fu0 h ALA 19 Ca 0.46 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1fu0 h ALA 19 Cb 0.43 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1fu0 h ALA 19 CO -0.25 -0.35 0.56 1.15 0.00 0.00 0.00 179.25 180.36 1fu0 h THR 20 N -0.20 1.07 -0.59 0.00 2.02 -0.92 -0.52 112.91 113.78 1fu0 h THR 20 Ca 0.01 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 1fu0 h THR 20 Cb 0.25 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1fu0 h THR 20 CO 0.00 0.19 0.06 -0.07 0.37 0.00 0.00 175.52 176.07 1fu0 h LEU 21 N 1.04 0.97 -0.42 2.58 -0.00 -0.79 -1.03 115.31 117.66 1fu0 h LEU 21 Ca 0.38 -0.28 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 1fu0 h LEU 21 Cb 0.13 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 1fu0 h LEU 21 CO -0.16 1.01 0.16 0.25 -0.00 0.00 0.00 178.44 179.70 1fu0 h LEU 22 N 0.90 0.59 -0.65 1.67 6.46 -0.51 -1.38 115.31 122.39 1fu0 h LEU 22 Ca 0.17 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1fu0 h LEU 22 Cb 0.47 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1fu0 h LEU 22 CO 0.02 0.61 0.35 0.58 -0.62 0.00 0.00 178.44 179.37 1fu0 h VAL 23 N 0.54 1.21 -0.63 1.05 2.07 -0.93 -1.07 116.25 118.49 1fu0 h VAL 23 Ca 0.14 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1fu0 h VAL 23 Cb 0.20 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1fu0 h VAL 23 CO -0.01 0.23 0.14 1.56 0.02 0.00 0.00 177.57 179.51 1fu0 h GLN 24 N 0.89 0.99 -0.10 1.57 4.20 -0.93 -1.61 115.11 120.13 1fu0 h GLN 24 Ca 0.23 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1fu0 h GLN 24 Cb 0.06 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1fu0 h GLN 24 CO -0.04 0.89 0.03 1.15 -0.67 0.00 0.00 178.83 180.20 1fu0 h THR 25 N 0.94 1.16 -0.80 -0.54 2.02 -0.90 -2.85 112.91 111.94 1fu0 h THR 25 Ca 0.20 -0.50 0.06 0.00 0.77 0.00 0.00 66.41 66.94 1fu0 h THR 25 Cb 0.35 1.31 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 1fu0 h THR 25 CO 0.00 0.14 0.49 0.00 0.37 0.00 0.00 175.52 176.52 1fu0 h ALA 26 N 0.86 1.10 0.00 6.16 0.00 -0.99 -2.21 119.26 124.17 1fu0 h ALA 26 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fu0 h ALA 26 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fu0 h ALA 26 CO -0.00 0.21 0.00 0.77 0.00 0.00 0.00 179.25 180.23 1fu0 h SER 27 N 0.89 0.00 0.97 0.00 0.02 -1.05 -2.01 113.55 112.37 1fu0 h SER 27 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1fu0 h SER 27 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1fu0 h SER 27 CO -0.17 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.81 1fu0 n LYS 28 N -2.86 0.15 -4.06 3.45 5.02 -0.83 -4.83 118.16 114.21 1fu0 n LYS 28 Ca -0.02 0.26 -0.28 0.00 -2.02 0.00 0.00 58.31 56.25 1fu0 n LYS 28 Cb 0.07 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.29 1fu0 n LYS 28 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1fu0 s PHE 29 N -3.15 3.20 0.09 2.13 0.08 -0.76 -5.02 117.98 114.56 1fu0 s PHE 29 Ca 0.08 0.03 0.09 0.00 0.12 0.00 0.00 56.93 57.26 1fu0 s PHE 29 Cb 0.12 -1.57 -0.07 0.00 -0.57 0.00 0.00 43.02 40.93 1fu0 s PHE 29 CO 0.46 0.52 1.36 -0.97 -0.10 0.00 0.00 175.22 176.49 1fu0 h ASN 30 N 2.72 0.00 -4.24 1.36 -0.73 -1.88 -3.47 115.58 109.35 1fu0 h ASN 30 Ca -0.47 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.18 1fu0 h ASN 30 Cb 1.19 0.00 0.19 0.00 0.27 0.00 0.00 38.32 39.97 1fu0 h ASN 30 CO 0.65 0.85 0.22 -0.44 -0.37 0.00 0.00 177.43 178.34 1fu0 s SER 31 N -6.67 2.96 -0.02 1.15 0.01 -1.26 -4.94 113.70 104.93 1fu0 s SER 31 Ca 0.01 2.15 -0.26 0.00 1.31 0.00 0.00 55.95 59.16 1fu0 s SER 31 Cb 0.10 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1fu0 s SER 31 CO 0.80 -3.07 0.79 -1.81 0.41 0.00 0.00 173.24 170.36 1fu0 s ASP 32 N -2.72 7.15 -0.11 2.44 -0.00 0.97 -4.84 116.67 119.56 1fu0 s ASP 32 Ca 0.66 1.38 0.00 0.00 -0.00 0.00 0.00 52.55 54.60 1fu0 s ASP 32 Cb -0.22 -2.47 0.02 0.00 -0.00 0.00 0.00 42.92 40.25 1fu0 s ASP 32 CO 0.58 -0.12 -0.10 -0.63 -0.00 0.00 0.00 175.17 174.89 1fu0 s ILE 33 N 0.65 1.18 0.14 0.77 1.01 -1.26 -0.66 121.20 123.04 1fu0 s ILE 33 Ca 0.42 -0.42 0.11 0.00 0.00 0.00 0.00 60.65 60.76 1fu0 s ILE 33 Cb -0.19 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1fu0 s ILE 33 CO 0.22 0.39 -0.26 0.20 0.00 0.00 0.00 174.94 175.48 1fu0 s ASN 34 N 1.40 3.30 -0.11 3.58 0.01 -0.42 -1.04 114.94 121.66 1fu0 s ASN 34 Ca 0.00 -0.76 0.03 0.00 -0.71 0.00 0.00 52.86 51.42 1fu0 s ASN 34 Cb -0.13 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.31 1fu0 s ASN 34 CO -0.06 0.17 -0.22 -0.22 -1.51 0.00 0.00 177.10 175.26 1fu0 s LEU 35 N -2.14 2.03 -0.08 0.60 2.96 0.22 -1.45 118.68 120.82 1fu0 s LEU 35 Ca 0.15 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1fu0 s LEU 35 Cb -0.10 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 1fu0 s LEU 35 CO 0.06 0.12 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.30 1fu0 s GLU 36 N 0.54 2.81 -0.08 1.98 2.12 0.45 -0.80 118.70 125.72 1fu0 s GLU 36 Ca -0.15 -0.83 -0.03 0.00 0.36 0.00 0.00 54.97 54.32 1fu0 s GLU 36 Cb -0.17 -2.31 0.04 0.00 0.26 0.00 0.00 34.13 31.95 1fu0 s GLU 36 CO 0.05 0.34 0.17 -0.47 -0.54 0.00 0.00 175.26 174.81 1fu0 s TYR 37 N -0.04 -0.20 -1.53 5.30 5.04 -0.23 -1.81 117.35 123.88 1fu0 s TYR 37 Ca -0.06 0.58 -0.10 0.00 -2.44 0.00 0.00 57.07 55.05 1fu0 s TYR 37 Cb -0.15 -0.09 0.07 0.00 0.35 0.00 0.00 41.96 42.14 1fu0 s TYR 37 CO 0.05 -0.21 0.70 1.63 -1.34 0.00 0.00 175.55 176.39 1fu0 n LYS 38 N 4.47 -3.95 -1.16 4.97 5.02 -1.26 -1.27 118.16 124.99 1fu0 n LYS 38 Ca -0.21 0.46 -0.06 0.00 -2.02 0.00 0.00 58.31 56.48 1fu0 n LYS 38 Cb 0.51 -5.01 -0.02 0.00 -0.02 0.00 0.00 35.03 30.49 1fu0 n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fu0 n GLY 39 N -1.68 0.79 3.12 0.72 0.00 -1.26 -5.01 105.19 101.86 1fu0 n GLY 39 Ca -0.10 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1fu0 n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fu0 s LYS 40 N -2.09 2.72 -0.17 1.61 2.20 -0.40 -5.12 119.74 118.49 1fu0 s LYS 40 Ca 0.00 -0.74 -0.04 0.00 -0.36 0.00 0.00 55.97 54.83 1fu0 s LYS 40 Cb 0.00 -2.26 -0.02 0.00 -1.51 0.00 0.00 37.83 34.04 1fu0 s LYS 40 CO 0.00 -0.07 -0.04 0.45 -0.36 0.00 0.00 175.35 175.33 1fu0 s SER 41 N 0.97 4.65 0.28 1.43 0.15 -1.26 -1.06 113.70 118.86 1fu0 s SER 41 Ca -0.05 -0.20 0.09 0.00 0.70 0.00 0.00 55.95 56.49 1fu0 s SER 41 Cb -0.15 -1.77 -0.06 0.00 -1.71 0.00 0.00 66.02 62.34 1fu0 s SER 41 CO -0.04 0.13 -0.12 0.68 1.20 0.00 0.00 173.24 175.09 1fu0 s VAL 42 N 0.62 2.05 -0.28 4.45 -7.23 0.02 -4.94 120.40 115.10 1fu0 s VAL 42 Ca -0.03 -2.24 -0.29 0.00 -1.81 0.00 0.00 61.98 57.61 1fu0 s VAL 42 Cb -0.14 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1fu0 s VAL 42 CO 0.02 -0.36 1.18 0.21 -0.31 0.00 0.00 175.10 175.85 1fu0 s ASN 43 N -3.48 6.87 0.41 4.85 3.04 -1.26 -0.61 114.94 124.75 1fu0 s ASN 43 Ca 0.29 1.25 0.29 0.00 0.04 0.00 0.00 52.86 54.73 1fu0 s ASN 43 Cb 0.00 -2.54 1.37 0.00 -1.54 0.00 0.00 41.25 38.55 1fu0 s ASN 43 CO 0.13 -0.90 1.87 0.25 -3.04 0.00 0.00 177.10 175.41 1fu0 h LEU 44 N 10.22 0.00 -5.64 3.21 5.85 -1.40 -3.42 115.31 124.13 1fu0 h LEU 44 Ca -0.23 0.00 -0.71 0.00 0.84 0.00 0.00 57.88 57.78 1fu0 h LEU 44 Cb 1.08 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1fu0 h LEU 44 CO 1.02 0.00 3.13 0.29 -0.34 0.00 0.00 178.44 182.54 1fu0 n LYS 45 N -2.56 3.56 0.00 1.25 5.02 -1.26 -4.40 118.16 119.76 1fu0 n LYS 45 Ca -0.00 -2.73 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 1fu0 n LYS 45 Cb 0.16 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.22 1fu0 n LYS 45 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1fu0 n ILE 47 N 3.74 0.00 -0.12 -0.18 0.13 -1.26 -4.87 119.36 116.80 1fu0 n ILE 47 Ca 0.62 0.00 -0.09 0.00 -1.10 0.00 0.00 62.75 62.18 1fu0 n ILE 47 Cb 0.30 -0.40 -0.01 0.00 -0.84 0.00 0.00 39.64 38.70 1fu0 n ILE 47 CO 0.00 0.00 0.00 -0.03 2.80 0.00 0.00 176.55 179.32 1fu0 h MET 48 N 0.00 0.51 -0.44 9.51 4.05 -1.98 -0.33 114.93 126.24 1fu0 h MET 48 Ca 0.00 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1fu0 h MET 48 Cb 0.28 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1fu0 h MET 48 CO 0.00 0.42 0.24 0.78 0.23 0.00 0.00 176.91 178.58 1fu0 h GLY 49 N 0.46 0.66 0.79 1.39 0.00 -1.99 -1.47 103.07 102.92 1fu0 h GLY 49 Ca 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1fu0 h GLY 49 CO -0.02 0.29 0.01 -2.08 0.00 0.00 0.00 176.54 174.74 1fu0 h VAL 50 N 0.58 1.19 -0.14 4.60 2.07 -1.77 -2.57 116.25 120.20 1fu0 h VAL 50 Ca 0.16 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1fu0 h VAL 50 Cb 0.06 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1fu0 h VAL 50 CO -0.02 0.16 0.06 0.24 0.02 0.00 0.00 177.57 178.02 1fu0 h MET 51 N -0.15 0.19 0.00 1.57 2.86 -0.99 -2.31 114.93 116.11 1fu0 h MET 51 Ca 0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1fu0 h MET 51 Cb 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1fu0 h MET 51 CO 0.00 0.16 -0.15 0.77 1.06 0.00 0.00 176.91 178.75 1fu0 h SER 52 N 0.20 0.00 -0.06 1.22 0.02 -1.10 -3.33 113.55 110.49 1fu0 h SER 52 Ca 0.05 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1fu0 h SER 52 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1fu0 h SER 52 CO -0.01 0.02 0.00 0.25 -1.14 0.00 0.00 176.83 175.95 1fu0 h LEU 53 N 0.00 0.17 -1.23 5.07 5.85 -1.00 -3.47 115.31 120.70 1fu0 h LEU 53 Ca 0.00 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1fu0 h LEU 53 Cb 0.81 -0.04 0.04 0.00 0.37 0.00 0.00 40.66 41.84 1fu0 h LEU 53 CO 0.00 0.21 -0.20 0.61 -0.34 0.00 0.00 178.44 178.72 1fu0 n GLY 54 N -1.26 0.44 3.60 3.75 0.00 -1.25 -5.00 105.19 105.47 1fu0 n GLY 54 Ca -0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1fu0 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fu0 s VAL 55 N -3.09 4.56 0.56 1.61 1.01 -1.26 -5.03 120.40 118.76 1fu0 s VAL 55 Ca 0.12 1.19 0.05 0.00 0.00 0.00 0.00 61.98 63.33 1fu0 s VAL 55 Cb -0.05 -4.35 0.05 0.00 0.00 0.00 0.00 36.38 32.03 1fu0 s VAL 55 CO 0.21 -0.57 0.40 0.61 0.00 0.00 0.00 175.10 175.76 1fu0 n GLY 56 N 4.41 2.77 3.71 4.51 0.00 -1.26 -1.06 105.19 118.26 1fu0 n GLY 56 Ca 0.07 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 1fu0 n GLY 56 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1fu0 n GLN 57 N -1.79 2.25 -0.11 1.61 7.27 -1.25 -1.86 117.38 123.50 1fu0 n GLN 57 Ca -0.03 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.84 1fu0 n GLN 57 Cb 0.64 -2.44 0.00 0.00 2.41 0.00 0.00 30.24 30.84 1fu0 n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1fu0 n GLY 58 N 1.32 1.11 3.78 1.69 0.00 0.13 -5.01 105.19 108.22 1fu0 n GLY 58 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1fu0 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fu0 s SER 59 N -2.88 6.34 -0.24 1.61 0.01 -0.78 -4.76 113.70 113.00 1fu0 s SER 59 Ca 0.00 2.06 -0.06 0.00 1.31 0.00 0.00 55.95 59.26 1fu0 s SER 59 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1fu0 s SER 59 CO 0.00 -0.79 0.03 -0.62 0.41 0.00 0.00 173.24 172.28 1fu0 s ASP 60 N -1.72 4.90 0.13 2.44 2.15 -1.26 -0.25 116.67 123.05 1fu0 s ASP 60 Ca 0.65 -0.25 0.05 0.00 0.43 0.00 0.00 52.55 53.43 1fu0 s ASP 60 Cb -0.21 -1.87 -0.04 0.00 -0.30 0.00 0.00 42.92 40.50 1fu0 s ASP 60 CO 0.26 -0.02 -0.11 0.68 -0.17 0.00 0.00 175.17 175.81 1fu0 s VAL 61 N 1.49 1.17 -0.06 1.11 -7.23 -0.45 -4.61 120.40 111.82 1fu0 s VAL 61 Ca 0.06 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1fu0 s VAL 61 Cb -0.15 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 1fu0 s VAL 61 CO 0.02 -0.61 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.10 1fu0 s THR 62 N -2.80 1.66 -0.11 5.32 2.01 -0.75 -0.35 115.64 120.62 1fu0 s THR 62 Ca 0.12 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1fu0 s THR 62 Cb -0.01 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 1fu0 s THR 62 CO 0.01 0.47 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.63 1fu0 s ILE 63 N 0.12 2.88 -0.07 1.82 1.01 0.23 -0.41 121.20 126.78 1fu0 s ILE 63 Ca -0.08 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.88 1fu0 s ILE 63 Cb -0.14 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 1fu0 s ILE 63 CO 0.04 0.54 -0.24 -0.89 0.00 0.00 0.00 174.94 174.40 1fu0 s THR 64 N 0.11 2.15 -0.09 2.92 2.01 -0.53 -1.03 115.64 121.19 1fu0 s THR 64 Ca -0.07 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 60.94 1fu0 s THR 64 Cb -0.15 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.57 1fu0 s THR 64 CO 0.05 0.57 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.67 1fu0 s VAL 65 N -0.00 1.63 -0.14 3.82 1.01 0.58 -1.30 120.40 126.00 1fu0 s VAL 65 Ca -0.08 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1fu0 s VAL 65 Cb -0.15 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.85 1fu0 s VAL 65 CO 0.05 0.47 0.14 -0.62 0.00 0.00 0.00 175.10 175.14 1fu0 s ASP 66 N 0.52 1.48 0.00 3.32 2.15 0.17 -0.48 116.67 123.83 1fu0 s ASP 66 Ca -0.16 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.67 1fu0 s ASP 66 Cb -0.17 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.53 1fu0 s ASP 66 CO 0.06 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 1fu0 n GLY 67 N 5.31 -2.75 0.17 2.66 0.00 -1.26 -0.02 105.19 109.30 1fu0 n GLY 67 Ca -0.05 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.57 1fu0 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fu0 h ALA 68 N 0.00 0.35 -0.62 4.61 0.00 -1.98 -1.92 119.26 119.69 1fu0 h ALA 68 Ca 0.00 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 1fu0 h ALA 68 Cb 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 1fu0 h ALA 68 CO 0.00 -0.41 0.24 -0.40 0.00 0.00 0.00 179.25 178.68 1fu0 n ASP 69 N -5.24 4.29 -0.32 0.00 3.85 -1.26 -4.62 116.55 113.24 1fu0 n ASP 69 Ca 0.03 -3.00 0.11 0.00 -0.71 0.00 0.00 54.79 51.21 1fu0 n ASP 69 Cb 0.22 -0.71 0.28 0.00 -1.35 0.00 0.00 41.12 39.56 1fu0 n ASP 69 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1fu0 h GLU 70 N 2.14 0.65 -0.77 0.11 4.11 -1.69 -0.36 114.58 118.77 1fu0 h GLU 70 Ca 0.23 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.60 1fu0 h GLU 70 Cb 2.08 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 31.14 1fu0 h GLU 70 CO 0.63 0.43 0.37 0.00 0.07 0.00 0.00 179.01 180.51 1fu0 h ALA 71 N 1.62 1.00 -0.32 1.06 0.00 -1.84 -0.10 119.26 120.67 1fu0 h ALA 71 Ca 0.53 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1fu0 h ALA 71 Cb 0.81 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1fu0 h ALA 71 CO -0.39 0.56 -0.12 1.49 0.00 0.00 0.00 179.25 180.80 1fu0 h GLU 72 N 1.09 0.65 -0.53 0.00 4.81 -1.65 -2.65 114.58 116.30 1fu0 h GLU 72 Ca 0.27 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1fu0 h GLU 72 Cb 0.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1fu0 h GLU 72 CO -0.03 0.85 0.30 0.78 -0.73 0.00 0.00 179.01 180.17 1fu0 h GLY 73 N 0.42 0.78 0.97 1.92 0.00 -0.78 -1.86 103.07 104.52 1fu0 h GLY 73 Ca 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1fu0 h GLY 73 CO 0.04 0.33 0.19 1.98 0.00 0.00 0.00 176.54 179.08 1fu0 h MET 74 N 0.70 0.74 -0.50 4.80 1.85 -1.01 -0.98 114.93 120.53 1fu0 h MET 74 Ca 0.19 -0.13 0.02 0.00 -0.61 0.00 0.00 59.70 59.16 1fu0 h MET 74 Cb 0.03 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 31.91 1fu0 h MET 74 CO -0.03 0.66 0.30 0.00 -0.40 0.00 0.00 176.91 177.44 1fu0 h ALA 75 N 1.04 0.64 -0.58 0.39 0.00 -1.29 -1.03 119.26 118.42 1fu0 h ALA 75 Ca 0.16 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1fu0 h ALA 75 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1fu0 h ALA 75 CO -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 1fu0 h ALA 76 N 1.22 0.81 -0.22 0.00 0.00 -1.13 -2.21 119.26 117.73 1fu0 h ALA 76 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1fu0 h ALA 76 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1fu0 h ALA 76 CO -0.08 0.67 0.14 0.82 0.00 0.00 0.00 179.25 180.80 1fu0 h ILE 77 N 0.96 1.05 -0.71 0.00 1.08 -0.66 -0.42 117.51 118.81 1fu0 h ILE 77 Ca 0.16 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 1fu0 h ILE 77 Cb 0.61 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1fu0 h ILE 77 CO 0.04 0.05 0.46 0.58 -0.69 0.00 0.00 178.15 178.59 1fu0 h VAL 78 N 0.29 1.19 -0.26 1.67 2.07 -1.09 -0.38 116.25 119.74 1fu0 h VAL 78 Ca 0.08 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1fu0 h VAL 78 Cb -0.03 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1fu0 h VAL 78 CO -0.02 0.19 0.13 -0.08 0.02 0.00 0.00 177.57 177.81 1fu0 h GLU 79 N 0.97 0.37 -0.50 1.57 4.81 -1.07 -1.86 114.58 118.87 1fu0 h GLU 79 Ca 0.26 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1fu0 h GLU 79 Cb -0.08 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1fu0 h GLU 79 CO -0.05 0.35 0.29 1.15 -0.73 0.00 0.00 179.01 180.02 1fu0 h THR 80 N 0.30 1.16 -0.89 0.32 2.02 -0.77 0.26 112.91 115.32 1fu0 h THR 80 Ca 0.09 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.93 1fu0 h THR 80 Cb 0.09 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1fu0 h THR 80 CO -0.01 0.17 0.58 -0.07 0.37 0.00 0.00 175.52 176.56 1fu0 h LEU 81 N 0.67 0.96 -0.04 2.58 3.38 -0.87 -0.87 115.31 121.12 1fu0 h LEU 81 Ca 0.18 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1fu0 h LEU 81 Cb 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1fu0 h LEU 81 CO -0.03 0.66 -0.10 -0.61 0.09 0.00 0.00 178.44 178.46 1fu0 h GLN 82 N 1.12 0.14 0.00 1.13 4.15 -0.83 -0.31 115.11 120.51 1fu0 h GLN 82 Ca 0.35 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1fu0 h GLN 82 Cb 0.01 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1fu0 h GLN 82 CO -0.10 0.69 -0.11 1.57 -1.93 0.00 0.00 178.83 178.95 1fu0 h LYS 83 N -0.40 0.00 -0.31 1.69 2.10 -0.59 -1.83 116.57 117.23 1fu0 h LYS 83 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1fu0 h LYS 83 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1fu0 h LYS 83 CO 0.02 0.11 0.00 0.39 -2.00 0.00 0.00 179.45 177.97 1fu0 n GLU 84 N -3.33 2.14 -2.39 0.07 -0.58 -0.36 -4.94 120.64 111.25 1fu0 n GLU 84 Ca -0.00 -1.73 -0.19 0.00 -0.42 0.00 0.00 57.16 54.82 1fu0 n GLU 84 Cb 0.31 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.73 1fu0 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fu0 n GLY 85 N 1.32 -0.41 0.14 0.62 0.00 -0.69 -4.90 105.19 101.28 1fu0 n GLY 85 Ca 0.18 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1fu0 n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fu0 h LEU 86 N -0.06 0.70 -0.42 0.99 3.38 -1.29 -3.27 115.31 115.34 1fu0 h LEU 86 Ca -0.45 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.62 1fu0 h LEU 86 Cb 1.33 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1fu0 h LEU 86 CO 0.53 1.74 0.00 0.00 0.09 0.00 0.00 178.44 180.80