#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b s LEU 5 N 0.00 3.34 0.00 -3.43 0.05 -1.26 -5.06 118.68 112.32 3i9b s LEU 5 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 54.13 54.19 3i9b s LEU 5 Cb 0.00 -1.76 0.00 0.00 -2.05 0.00 0.00 46.19 42.38 3i9b s LEU 5 CO 0.00 0.31 0.00 2.29 -0.55 0.00 0.00 176.35 178.40 3i9b n LYS 6 N 2.57 0.00 0.09 1.48 2.85 -1.26 -4.45 118.16 119.44 3i9b n LYS 6 Ca -0.18 0.06 -0.04 0.00 -1.05 0.00 0.00 58.31 57.10 3i9b n LYS 6 Cb 0.53 -0.50 -0.06 0.00 -0.65 0.00 0.00 35.03 34.34 3i9b n LYS 6 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 3i9b h LYS 7 N 0.00 0.00 0.61 -1.58 5.09 -2.09 -3.38 116.57 115.23 3i9b h LYS 7 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.71 3i9b h LYS 7 Cb 0.00 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.34 3i9b h LYS 7 CO 0.00 0.82 -0.29 0.78 -2.09 0.00 0.00 179.45 178.67 3i9b h GLY 8 N 3.12 -0.86 -1.42 0.07 0.00 -2.00 -3.48 103.07 98.51 3i9b h GLY 8 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3i9b h GLY 8 CO 0.11 -0.31 -0.09 -0.62 0.00 0.00 0.00 176.54 175.63 3i9b n VAL 9 N -5.32 -0.23 -4.64 4.60 0.31 -1.26 -4.94 118.33 106.84 3i9b n VAL 9 Ca -0.10 0.04 -0.30 0.00 -0.01 0.00 0.00 64.34 63.97 3i9b n VAL 9 Cb 0.33 -0.39 -0.08 0.00 -0.91 0.00 0.00 33.84 32.80 3i9b n VAL 9 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 3i9b s PHE 10 N -0.09 1.84 -0.07 3.52 -0.12 -1.26 -5.13 117.98 116.66 3i9b s PHE 10 Ca 0.00 -1.11 -0.06 0.00 -0.05 0.00 0.00 56.93 55.71 3i9b s PHE 10 Cb 0.00 -1.40 0.02 0.00 -0.63 0.00 0.00 43.02 41.01 3i9b s PHE 10 CO 0.00 -0.02 0.19 0.08 -0.05 0.00 0.00 175.22 175.42 3i9b s VAL 11 N -3.03 -0.01 0.87 -2.49 1.01 -1.26 -3.94 120.40 111.56 3i9b s VAL 11 Ca 0.14 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 3i9b s VAL 11 Cb 0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 36.04 3i9b s VAL 11 CO 0.09 0.01 -0.16 0.47 0.00 0.00 0.00 175.10 175.51 3i9b n ASP 12 N 3.18 -3.82 0.08 3.32 10.43 -1.26 -4.90 116.55 123.59 3i9b n ASP 12 Ca -0.15 0.35 -0.18 0.00 2.57 0.00 0.00 54.79 57.38 3i9b n ASP 12 Cb 0.58 -0.97 -0.14 0.00 1.84 0.00 0.00 41.12 42.42 3i9b n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3i9b h ASP 13 N -0.91 0.48 0.75 -2.24 3.32 -2.01 -3.18 116.42 112.63 3i9b h ASP 13 Ca -0.44 -0.61 -0.25 0.00 0.02 0.00 0.00 57.03 55.75 3i9b h ASP 13 Cb 1.32 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3i9b h ASP 13 CO 0.32 1.50 -1.17 1.12 -1.72 0.00 0.00 179.24 179.29 3i9b h HIS 14 N 0.08 0.33 -0.47 4.55 2.07 -1.99 -1.66 115.15 118.06 3i9b h HIS 14 Ca -0.24 -0.24 -0.06 0.00 -2.85 0.00 0.00 60.37 56.98 3i9b h HIS 14 Cb 2.04 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 31.99 3i9b h HIS 14 CO 0.08 1.19 0.04 1.25 -3.07 0.00 0.00 177.93 177.42 3i9b h LEU 15 N 0.05 0.77 -0.17 6.12 7.12 -1.95 -2.52 115.31 124.73 3i9b h LEU 15 Ca -0.10 -0.28 -0.23 0.00 0.13 0.00 0.00 57.88 57.41 3i9b h LEU 15 Cb 1.91 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 3i9b h LEU 15 CO 0.18 0.86 -0.94 -0.07 -0.13 0.00 0.00 178.44 178.34 3i9b h LEU 16 N 0.66 0.55 0.41 2.25 4.07 -1.62 -2.03 115.31 119.60 3i9b h LEU 16 Ca 0.14 -0.43 -0.01 0.00 0.08 0.00 0.00 57.88 57.65 3i9b h LEU 16 Cb 0.44 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 3i9b h LEU 16 CO 0.02 1.23 -0.44 -0.08 -1.08 0.00 0.00 178.44 178.09 3i9b h GLU 17 N 0.24 -0.82 0.00 1.13 4.81 -1.22 1.55 114.58 120.27 3i9b h GLU 17 Ca -0.08 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i9b h GLU 17 Cb 1.57 0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.14 3i9b h GLU 17 CO 0.16 -0.55 0.00 1.17 -0.73 0.00 0.00 179.01 179.07 3i9b n LYS 18 N -5.06 0.15 -0.02 1.92 3.00 -0.96 -2.55 118.16 114.64 3i9b n LYS 18 Ca -0.10 0.59 -0.01 0.00 -0.00 0.00 0.00 58.31 58.79 3i9b n LYS 18 Cb 0.39 -1.93 -0.00 0.00 0.00 0.00 0.00 35.03 33.49 3i9b n LYS 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i9b h VAL 19 N 0.00 0.00 0.48 3.15 2.07 -0.05 -3.36 116.25 118.53 3i9b h VAL 19 Ca 0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3i9b h VAL 19 Cb 0.07 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 3i9b h VAL 19 CO 0.00 0.00 -0.39 -0.07 0.02 0.00 0.00 177.57 177.13 3i9b h LEU 20 N -0.35 -1.02 0.00 2.57 3.38 0.21 -1.30 115.31 118.79 3i9b h LEU 20 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i9b h LEU 20 Cb 0.16 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3i9b h LEU 20 CO 0.00 -0.56 0.00 -1.84 0.09 0.00 0.00 178.44 176.13 3i9b n GLU 21 N -5.50 0.00 -1.27 1.13 0.28 -1.06 -0.30 120.64 113.93 3i9b n GLU 21 Ca -0.11 0.15 -0.09 0.00 -0.16 0.00 0.00 57.16 56.94 3i9b n GLU 21 Cb 0.40 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 31.88 3i9b n GLU 21 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3i9b n LEU 22 N -1.14 3.95 0.00 -1.84 7.99 -0.50 -4.49 117.00 120.97 3i9b n LEU 22 Ca 0.00 -4.28 0.00 0.00 -0.01 0.00 0.00 56.01 51.72 3i9b n LEU 22 Cb 0.00 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.85 3i9b n LEU 22 CO 0.00 1.71 0.12 -3.20 -1.51 0.00 0.00 177.39 174.51 3i9b n ASN 23 N -0.93 0.07 -4.58 -1.43 5.15 0.59 -4.53 115.26 109.59 3i9b n ASN 23 Ca 0.33 -1.02 -0.41 0.00 -0.60 0.00 0.00 54.58 52.87 3i9b n ASN 23 Cb 0.84 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.07 3i9b n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i9b s ALA 24 N -0.02 2.61 -0.06 5.20 0.00 -1.25 -3.43 121.76 124.81 3i9b s ALA 24 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3i9b s ALA 24 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.01 3i9b s ALA 24 CO 0.00 -3.07 0.00 0.36 0.00 0.00 0.00 175.76 173.05 3i9b n LYS 25 N 8.66 -1.98 -1.93 0.00 -0.00 -1.26 -4.77 118.16 116.89 3i9b n LYS 25 Ca 0.24 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 3i9b n LYS 25 Cb 0.48 -4.25 0.00 0.00 -0.00 0.00 0.00 35.03 31.27 3i9b n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9b n GLY 26 N 0.65 -0.28 0.00 2.58 0.00 -1.22 -5.18 105.19 101.74 3i9b n GLY 26 Ca -0.01 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3i9b n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i9b n GLU 27 N -0.26 0.00 -3.65 1.61 -0.00 -1.26 -3.80 120.64 113.27 3i9b n GLU 27 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 57.12 3i9b n GLU 27 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 31.38 3i9b n GLU 27 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3i9b s LYS 28 N -0.80 0.51 0.00 3.44 -0.14 -1.26 -5.03 119.74 116.46 3i9b s LYS 28 Ca 0.00 1.32 0.00 0.00 -1.36 0.00 0.00 55.97 55.93 3i9b s LYS 28 Cb 0.00 0.67 0.00 0.00 -1.68 0.00 0.00 37.83 36.82 3i9b s LYS 28 CO 0.00 -0.21 0.31 2.89 -0.76 0.00 0.00 175.35 177.58 3i9b n ARG 29 N 5.34 0.00 -1.90 1.68 1.85 -1.26 -4.39 116.66 117.98 3i9b n ARG 29 Ca -0.12 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.51 3i9b n ARG 29 Cb 0.50 -1.57 -0.06 0.00 -1.05 0.00 0.00 32.46 30.28 3i9b n ARG 29 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3i9b s LEU 30 N -1.46 3.04 -0.14 2.89 1.98 -1.26 -4.56 118.68 119.17 3i9b s LEU 30 Ca 0.00 -0.58 -0.07 0.00 -2.89 0.00 0.00 54.13 50.59 3i9b s LEU 30 Cb 0.00 -2.56 0.05 0.00 0.66 0.00 0.00 46.19 44.34 3i9b s LEU 30 CO 0.00 -3.17 0.33 -0.51 -1.89 0.00 0.00 176.35 171.12 3i9b s ILE 31 N 11.74 -0.05 0.00 6.68 2.07 -1.26 -5.15 121.20 135.23 3i9b s ILE 31 Ca 0.76 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 60.13 3i9b s ILE 31 Cb -0.08 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 42.01 3i9b s ILE 31 CO 0.04 0.05 0.00 0.29 -1.91 0.00 0.00 174.94 173.41 3i9b n LYS 32 N 4.29 3.31 0.00 3.50 4.01 -1.26 -2.73 118.16 129.27 3i9b n LYS 32 Ca -0.24 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.56 3i9b n LYS 32 Cb 0.54 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.06 3i9b n LYS 32 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3i9b n THR 33 N 0.00 0.00 -1.38 -0.18 5.66 -1.23 -4.24 114.28 112.90 3i9b n THR 33 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 3i9b n THR 33 Cb 0.00 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 68.98 3i9b n THR 33 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3i9b n TRP 34 N -0.55 0.51 -3.53 1.09 8.01 -1.26 -3.81 117.44 117.91 3i9b n TRP 34 Ca 0.00 -1.38 -0.00 0.00 -1.31 0.00 0.00 57.50 54.81 3i9b n TRP 34 Cb 0.00 -0.33 -0.05 0.00 -2.01 0.00 0.00 31.31 28.92 3i9b n TRP 34 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 3i9b s SER 35 N -2.77 -0.53 0.19 -0.99 0.01 -1.26 -4.99 113.70 103.36 3i9b s SER 35 Ca 0.40 0.79 0.09 0.00 1.31 0.00 0.00 55.95 58.53 3i9b s SER 35 Cb 0.36 1.43 0.03 0.00 0.21 0.00 0.00 66.02 68.05 3i9b s SER 35 CO -0.01 -0.12 1.42 -0.09 0.41 0.00 0.00 173.24 174.85 3i9b h ARG 36 N 6.74 0.00 -0.16 12.44 2.43 -1.94 -3.33 114.38 130.56 3i9b h ARG 36 Ca -0.22 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.01 3i9b h ARG 36 Cb 1.15 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3i9b h ARG 36 CO 0.14 0.84 0.10 0.54 -1.51 0.00 0.00 179.97 180.08 3i9b n ARG 37 N -3.53 -0.00 -0.13 0.20 1.74 -1.26 -4.12 116.66 109.56 3i9b n ARG 37 Ca -0.00 0.15 -0.18 0.00 -0.77 0.00 0.00 57.85 57.05 3i9b n ARG 37 Cb 0.81 -0.30 0.17 0.00 -1.02 0.00 0.00 32.46 32.12 3i9b n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i9b n SER 38 N -2.90 -3.25 -1.86 0.55 3.41 -1.25 -4.76 113.62 103.57 3i9b n SER 38 Ca 0.05 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 3i9b n SER 38 Cb 0.19 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3i9b n SER 38 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3i9b n THR 39 N -4.63 0.00 0.04 6.66 -1.04 -1.25 -4.46 114.28 109.59 3i9b n THR 39 Ca 0.08 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.97 3i9b n THR 39 Cb 0.35 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.78 3i9b n THR 39 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3i9b h ILE 40 N 0.96 1.07 -1.92 12.58 1.08 -1.57 -3.44 117.51 126.27 3i9b h ILE 40 Ca 0.00 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3i9b h ILE 40 Cb 0.00 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 3i9b h ILE 40 CO 0.00 0.07 0.00 1.33 -0.69 0.00 0.00 178.15 178.86 3i9b n VAL 41 N -5.04 -0.64 -1.51 1.67 0.24 -1.26 -4.92 118.33 106.87 3i9b n VAL 41 Ca -0.08 0.00 -0.60 0.00 -2.04 0.00 0.00 64.34 61.63 3i9b n VAL 41 Cb 0.10 -2.21 -0.10 0.00 -1.47 0.00 0.00 33.84 30.17 3i9b n VAL 41 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3i9b n PRO 42 N -0.68 0.46 0.00 7.34 -0.02 -1.26 -4.45 135.00 136.38 3i9b n PRO 42 Ca 0.00 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3i9b n PRO 42 Cb 0.32 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3i9b n PRO 42 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i9b n GLU 43 N 6.35 0.00 -2.44 -0.52 4.71 -1.26 -4.95 120.64 122.52 3i9b n GLU 43 Ca 0.40 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.47 3i9b n GLU 43 Cb 0.04 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.47 3i9b n GLU 43 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 3i9b n MET 44 N -1.41 -2.44 0.00 3.49 2.81 -1.26 -4.83 117.12 113.48 3i9b n MET 44 Ca 0.00 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 3i9b n MET 44 Cb 0.00 -4.98 0.00 0.00 -0.71 0.00 0.00 33.22 27.53 3i9b n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3i9b n VAL 45 N -3.10 0.00 0.03 2.03 0.31 -1.26 -1.65 118.33 114.69 3i9b n VAL 45 Ca -0.10 0.99 0.00 0.00 -0.01 0.00 0.00 64.34 65.22 3i9b n VAL 45 Cb 0.57 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3i9b n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i9b n GLY 46 N -0.88 0.06 0.00 2.92 0.00 -1.07 -4.07 105.19 102.15 3i9b n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9b n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i9b n HIS 47 N 0.75 0.00 -3.56 1.61 8.25 -0.66 -4.82 115.22 116.79 3i9b n HIS 47 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3i9b n HIS 47 Cb 0.01 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.07 3i9b n HIS 47 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3i9b s THR 48 N 0.26 0.00 -0.19 1.59 -4.23 -1.26 -3.95 115.64 107.85 3i9b s THR 48 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 3i9b s THR 48 Cb 0.00 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 72.92 3i9b s THR 48 CO 0.00 0.00 0.16 -0.63 -0.54 0.00 0.00 174.62 173.61 3i9b s ILE 49 N -1.19 -0.21 -0.81 2.99 1.09 -1.24 -4.65 121.20 117.18 3i9b s ILE 49 Ca -0.04 -0.17 -0.26 0.00 -1.10 0.00 0.00 60.65 59.08 3i9b s ILE 49 Cb -0.00 -0.65 0.03 0.00 -1.06 0.00 0.00 42.46 40.77 3i9b s ILE 49 CO 0.03 -0.27 1.39 0.00 -0.10 0.00 0.00 174.94 176.00 3i9b s ALA 50 N 2.24 2.66 0.28 9.38 0.00 -1.11 -3.10 121.76 132.10 3i9b s ALA 50 Ca 0.05 -1.55 -0.25 0.00 0.00 0.00 0.00 51.96 50.21 3i9b s ALA 50 Cb -0.16 -4.34 -0.09 0.00 0.00 0.00 0.00 23.12 18.52 3i9b s ALA 50 CO -0.12 -3.48 0.89 0.08 0.00 0.00 0.00 175.76 173.13 3i9b s VAL 51 N 5.96 4.28 -0.85 0.00 1.01 -1.16 -3.53 120.40 126.11 3i9b s VAL 51 Ca 0.42 1.74 -0.14 0.00 0.00 0.00 0.00 61.98 63.99 3i9b s VAL 51 Cb -0.06 -4.03 0.21 0.00 0.00 0.00 0.00 36.38 32.50 3i9b s VAL 51 CO 0.08 0.23 0.81 -0.47 0.00 0.00 0.00 175.10 175.75 3i9b s TYR 52 N -1.51 3.73 -2.00 5.22 5.04 -1.25 -0.78 117.35 125.79 3i9b s TYR 52 Ca 0.47 -1.97 0.00 0.00 -2.44 0.00 0.00 57.07 53.13 3i9b s TYR 52 Cb -0.19 -3.86 0.01 0.00 0.35 0.00 0.00 41.96 38.27 3i9b s TYR 52 CO 0.24 -1.03 0.33 0.27 -1.34 0.00 0.00 175.55 174.02 3i9b n ASN 53 N 4.15 0.00 0.00 4.32 0.23 -1.21 -4.69 115.26 118.06 3i9b n ASN 53 Ca 0.15 -0.63 0.00 0.00 -0.53 0.00 0.00 54.58 53.57 3i9b n ASN 53 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 3i9b n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i9b n GLY 54 N -0.18 1.49 0.37 4.83 0.00 -1.26 -4.72 105.19 105.71 3i9b n GLY 54 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 3i9b n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9b n LYS 55 N 0.00 0.39 -3.83 1.61 4.81 -1.26 -5.10 118.16 114.77 3i9b n LYS 55 Ca 0.00 0.16 -0.09 0.00 -0.87 0.00 0.00 58.31 57.50 3i9b n LYS 55 Cb 0.00 -1.17 -0.06 0.00 0.02 0.00 0.00 35.03 33.82 3i9b n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3i9b s GLN 56 N -2.59 1.09 -0.27 1.64 -2.07 -1.26 -5.11 119.66 111.09 3i9b s GLN 56 Ca -0.22 -0.97 -0.29 0.00 -1.82 0.00 0.00 55.36 52.06 3i9b s GLN 56 Cb 0.04 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 3i9b s GLN 56 CO 0.32 -0.41 1.24 -1.01 -1.32 0.00 0.00 175.29 174.12 3i9b s HIS 57 N -3.89 2.83 -0.27 9.60 3.76 -1.24 -3.35 115.29 122.73 3i9b s HIS 57 Ca 0.10 0.98 -0.19 0.00 -0.15 0.00 0.00 55.06 55.80 3i9b s HIS 57 Cb 0.03 -3.75 -0.02 0.00 1.11 0.00 0.00 32.58 29.95 3i9b s HIS 57 CO -0.06 -1.51 0.57 0.14 -0.85 0.00 0.00 174.74 173.03 3i9b s VAL 58 N 4.00 5.02 -0.90 -0.90 -7.23 0.04 -4.79 120.40 115.65 3i9b s VAL 58 Ca 0.54 0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 61.39 3i9b s VAL 58 Cb -0.17 -3.89 -0.11 0.00 0.56 0.00 0.00 36.38 32.77 3i9b s VAL 58 CO 0.19 0.02 2.16 -2.16 -0.31 0.00 0.00 175.10 175.00 3i9b s PRO 59 N 2.42 2.01 0.98 4.82 0.04 -1.26 -2.96 135.00 141.05 3i9b s PRO 59 Ca 0.23 -0.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.06 3i9b s PRO 59 Cb -0.15 -4.95 0.22 0.00 0.04 0.00 0.00 34.50 29.65 3i9b s PRO 59 CO 0.09 -4.09 1.34 0.14 0.04 0.00 0.00 177.00 174.52 3i9b s VAL 60 N 12.82 2.00 0.18 -0.36 -7.23 -1.18 -4.94 120.40 121.69 3i9b s VAL 60 Ca 0.80 -0.03 -0.05 0.00 -1.81 0.00 0.00 61.98 60.89 3i9b s VAL 60 Cb -0.09 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 3i9b s VAL 60 CO 0.06 0.00 0.20 -0.47 -0.31 0.00 0.00 175.10 174.58 3i9b s TYR 61 N -3.91 0.75 -0.14 2.82 5.04 -1.26 -3.67 117.35 116.97 3i9b s TYR 61 Ca 0.76 -1.08 -0.05 0.00 -2.44 0.00 0.00 57.07 54.26 3i9b s TYR 61 Cb -0.02 -0.29 0.07 0.00 0.35 0.00 0.00 41.96 42.06 3i9b s TYR 61 CO 0.53 -0.68 0.28 0.42 -1.34 0.00 0.00 175.55 174.77 3i9b s ILE 62 N -4.06 -0.45 -0.08 3.14 1.09 -1.25 -4.89 121.20 114.70 3i9b s ILE 62 Ca 0.27 0.25 0.12 0.00 -1.10 0.00 0.00 60.65 60.19 3i9b s ILE 62 Cb 0.05 -0.48 0.20 0.00 -1.06 0.00 0.00 42.46 41.17 3i9b s ILE 62 CO 0.06 0.10 1.10 0.41 -0.10 0.00 0.00 174.94 176.51 3i9b n THR 63 N 5.36 1.09 -4.16 2.92 -1.04 -1.26 -2.61 114.28 114.58 3i9b n THR 63 Ca -0.06 -1.42 0.00 0.00 -2.04 0.00 0.00 64.05 60.53 3i9b n THR 63 Cb 0.50 0.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 3i9b n THR 63 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3i9b n GLU 64 N -0.76 0.00 -1.00 -2.82 2.13 -1.26 -4.86 120.64 112.07 3i9b n GLU 64 Ca 0.10 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.92 3i9b n GLU 64 Cb 0.70 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.41 3i9b n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3i9b n ASN 65 N 2.94 -5.71 -1.29 4.31 4.05 -1.26 -4.86 115.26 113.44 3i9b n ASN 65 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3i9b n ASN 65 Cb 0.00 -3.21 0.00 0.00 1.23 0.00 0.00 39.78 37.80 3i9b n ASN 65 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 3i9b n MET 66 N 0.61 0.97 0.00 1.20 2.81 -1.26 -5.11 117.12 116.33 3i9b n MET 66 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3i9b n MET 66 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 3i9b n MET 66 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3i9b n VAL 67 N 0.00 0.00 1.58 2.03 3.14 -1.26 -4.97 118.33 118.85 3i9b n VAL 67 Ca 0.00 0.00 0.15 0.00 -2.96 0.00 0.00 64.34 61.53 3i9b n VAL 67 Cb 0.00 0.00 0.68 0.00 -1.06 0.00 0.00 33.84 33.46 3i9b n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i9b n GLY 68 N 0.00 -0.74 3.55 7.55 0.00 -1.26 -3.12 105.19 111.17 3i9b n GLY 68 Ca 0.00 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 3i9b n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i9b s HIS 69 N -2.24 2.28 0.00 1.61 4.02 -1.26 -4.78 115.29 114.92 3i9b s HIS 69 Ca 0.36 -0.20 0.00 0.00 1.02 0.00 0.00 55.06 56.24 3i9b s HIS 69 Cb 0.21 -4.57 0.00 0.00 -1.02 0.00 0.00 32.58 27.20 3i9b s HIS 69 CO 0.42 -2.03 0.00 1.63 1.02 0.00 0.00 174.74 175.77 3i9b n LYS 70 N 9.17 0.00 0.00 1.40 4.76 -1.26 -4.06 118.16 128.16 3i9b n LYS 70 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3i9b n LYS 70 Cb 0.50 -0.28 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 3i9b n LYS 70 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i9b n LEU 71 N 0.00 0.00 0.29 -0.35 4.77 -1.26 -3.44 117.00 117.01 3i9b n LEU 71 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3i9b n LEU 71 Cb 0.00 0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3i9b n LEU 71 CO 0.00 -0.38 0.94 1.23 -1.33 0.00 0.00 177.39 177.85 3i9b h GLY 72 N 0.00 0.00 2.00 -0.72 0.00 -1.91 1.54 103.07 103.99 3i9b h GLY 72 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3i9b h GLY 72 CO 0.00 0.00 -0.11 0.83 0.00 0.00 0.00 176.54 177.26 3i9b h GLU 73 N 0.00 0.00 -0.32 4.80 5.08 -1.93 -0.90 114.58 121.31 3i9b h GLU 73 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i9b h GLU 73 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 3i9b h GLU 73 CO 0.00 0.11 0.00 1.19 -1.00 0.00 0.00 179.01 179.31 3i9b n PHE 74 N -3.19 0.42 -3.32 4.33 3.72 0.53 -4.41 117.46 115.53 3i9b n PHE 74 Ca 0.01 -0.21 -0.26 0.00 -0.05 0.00 0.00 57.45 56.95 3i9b n PHE 74 Cb 0.43 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.90 3i9b n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i9b n ALA 75 N 0.83 3.60 -1.53 4.37 0.00 -0.34 -5.00 120.51 122.44 3i9b n ALA 75 Ca 0.17 -4.35 -0.51 0.00 0.00 0.00 0.00 53.44 48.75 3i9b n ALA 75 Cb 0.43 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 3i9b n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i9b n PRO 76 N 0.92 1.32 0.08 0.00 -0.04 -1.26 -4.75 135.00 131.27 3i9b n PRO 76 Ca 0.27 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 3i9b n PRO 76 Cb 0.45 -2.48 0.46 0.00 -0.04 0.00 0.00 33.50 31.89 3i9b n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3i9b n THR 77 N 6.49 0.60 -4.56 0.52 -2.24 -1.26 -4.77 114.28 109.05 3i9b n THR 77 Ca 0.35 -0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.80 3i9b n THR 77 Cb 0.24 -0.78 -0.13 0.00 -2.10 0.00 0.00 70.33 67.56 3i9b n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i9b s ARG 78 N -3.13 1.91 -0.12 -0.78 0.52 -1.26 -5.01 118.95 111.07 3i9b s ARG 78 Ca 0.09 -1.08 0.19 0.00 -0.52 0.00 0.00 55.73 54.41 3i9b s ARG 78 Cb 0.12 -2.12 -0.26 0.00 0.52 0.00 0.00 34.95 33.21 3i9b s ARG 78 CO 0.49 0.51 0.30 0.25 0.02 0.00 0.00 175.30 176.87 3i9b n THR 79 N 1.31 1.01 0.00 0.02 -2.24 -1.26 -5.00 114.28 108.12 3i9b n THR 79 Ca -0.16 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 3i9b n THR 79 Cb 0.52 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3i9b n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i9b n TYR 80 N -2.65 0.00 -0.42 4.78 9.36 -1.26 -4.80 117.16 122.18 3i9b n TYR 80 Ca -0.22 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.00 3i9b n TYR 80 Cb 0.96 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.67 3i9b n TYR 80 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3i9b n ARG 81 N 0.00 0.00 0.00 2.98 0.63 -1.26 -4.92 116.66 114.09 3i9b n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i9b n ARG 81 Cb 0.00 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.20 3i9b n ARG 81 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i9b n GLY 82 N -2.00 3.50 3.19 5.14 0.00 -1.26 -5.09 105.19 108.66 3i9b n GLY 82 Ca 0.00 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 3i9b n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i9b s HIS 83 N -2.75 2.46 0.00 1.61 3.76 -1.26 -4.90 115.29 114.21 3i9b s HIS 83 Ca 0.00 -1.06 0.00 0.00 -0.15 0.00 0.00 55.06 53.85 3i9b s HIS 83 Cb 0.00 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.03 3i9b s HIS 83 CO 0.00 -0.45 0.00 0.41 -0.85 0.00 0.00 174.74 173.85 3i9b n GLY 84 N 3.69 -0.34 0.00 -2.22 0.00 -1.26 -5.33 105.19 99.73 3i9b n GLY 84 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3i9b n GLY 84 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90