#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij5 n THR 4 N 0.00 2.49 -3.59 3.41 -1.04 -1.26 -4.99 114.28 109.30 3ij5 n THR 4 Ca 0.00 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 3ij5 n THR 4 Cb 0.00 -1.89 -0.06 0.00 -1.82 0.00 0.00 70.33 66.56 3ij5 n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ij5 s ALA 5 N -1.16 3.74 0.12 2.41 0.00 -1.26 -5.04 121.76 120.57 3ij5 s ALA 5 Ca 0.58 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.28 3ij5 s ALA 5 Cb -0.46 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 3ij5 s ALA 5 CO 0.60 0.52 -0.13 0.71 0.00 0.00 0.00 175.76 177.46 3ij5 s TYR 6 N -1.08 1.33 0.02 0.00 1.51 -1.26 -1.11 117.35 116.76 3ij5 s TYR 6 Ca 0.22 -0.59 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 3ij5 s TYR 6 Cb -0.16 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 3ij5 s TYR 6 CO 0.11 0.12 -0.21 0.96 -1.11 0.00 0.00 175.55 175.42 3ij5 s ILE 7 N -2.30 1.66 0.33 2.71 -4.36 -0.14 -4.90 121.20 114.20 3ij5 s ILE 7 Ca 0.09 -1.07 -0.28 0.00 -0.26 0.00 0.00 60.65 59.14 3ij5 s ILE 7 Cb -0.04 -1.42 -0.09 0.00 1.25 0.00 0.00 42.46 42.16 3ij5 s ILE 7 CO 0.02 0.32 1.18 -1.81 0.24 0.00 0.00 174.94 174.89 3ij5 s ASP 8 N -0.88 6.89 0.25 4.36 1.01 -1.26 -1.09 116.67 125.95 3ij5 s ASP 8 Ca 0.08 2.41 0.01 0.00 0.71 0.00 0.00 52.55 55.76 3ij5 s ASP 8 Cb -0.08 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 3ij5 s ASP 8 CO 0.01 -0.42 0.12 0.42 0.21 0.00 0.00 175.17 175.50 3ij5 s THR 9 N -1.24 0.34 -1.55 -1.27 -4.23 -1.05 -4.89 115.64 101.75 3ij5 s THR 9 Ca 0.50 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.17 3ij5 s THR 9 Cb -0.34 -2.57 0.31 0.00 1.34 0.00 0.00 72.50 71.24 3ij5 s THR 9 CO 0.43 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 175.95 3ij5 n TYR 11 N -1.23 0.08 0.00 0.00 4.01 -1.26 -5.10 117.16 113.66 3ij5 n TYR 11 Ca 0.08 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3ij5 n TYR 11 Cb 0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 3ij5 n TYR 11 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ij5 n GLY 12 N 0.75 0.79 3.78 2.72 0.00 -0.73 -4.90 105.19 107.59 3ij5 n GLY 12 Ca 0.09 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 3ij5 n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ij5 n PRO 13 N -0.69 2.63 -4.55 1.61 -0.02 -1.26 -2.53 135.00 130.19 3ij5 n PRO 13 Ca 0.00 0.92 -0.24 0.00 -2.02 0.00 0.00 63.50 62.16 3ij5 n PRO 13 Cb 0.00 -2.67 -0.17 0.00 -0.02 0.00 0.00 33.50 30.64 3ij5 n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ij5 s VAL 14 N -1.13 1.11 0.44 -1.45 1.01 -0.25 -4.93 120.40 115.20 3ij5 s VAL 14 Ca 0.54 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 3ij5 s VAL 14 Cb -0.47 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 3ij5 s VAL 14 CO 0.63 0.35 1.42 0.00 0.00 0.00 0.00 175.10 177.50 3ij5 n ALA 15 N 3.86 1.99 -0.32 5.51 0.00 -1.26 -0.97 120.51 129.31 3ij5 n ALA 15 Ca -0.23 0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.54 3ij5 n ALA 15 Cb 0.52 -2.38 0.26 0.00 0.00 0.00 0.00 19.45 17.85 3ij5 n ALA 15 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3ij5 h ASP 16 N 2.36 0.87 -0.75 0.00 3.58 -1.46 -1.22 116.42 119.80 3ij5 h ASP 16 Ca -0.50 0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.05 3ij5 h ASP 16 Cb 1.27 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 42.10 3ij5 h ASP 16 CO 0.61 0.50 0.43 -0.78 -2.88 0.00 0.00 179.24 177.12 3ij5 h ASP 17 N 0.96 0.63 -0.43 2.28 3.58 -1.91 0.16 116.42 121.68 3ij5 h ASP 17 Ca 0.44 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.86 3ij5 h ASP 17 Cb 0.41 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 3ij5 h ASP 17 CO -0.20 0.39 0.02 0.58 -2.88 0.00 0.00 179.24 177.14 3ij5 h VAL 18 N 0.76 1.26 -0.53 2.25 2.07 -1.61 -1.22 116.25 119.21 3ij5 h VAL 18 Ca 0.34 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3ij5 h VAL 18 Cb 0.25 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3ij5 h VAL 18 CO -0.21 0.34 0.35 0.40 0.02 0.00 0.00 177.57 178.48 3ij5 h ILE 19 N 0.60 1.14 -0.76 4.57 1.08 -0.62 0.11 117.51 123.63 3ij5 h ILE 19 Ca 0.13 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 3ij5 h ILE 19 Cb 0.47 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 3ij5 h ILE 19 CO 0.02 0.14 0.37 1.56 -0.69 0.00 0.00 178.15 179.55 3ij5 h GLN 20 N 0.72 1.09 -0.36 2.37 1.08 -0.57 -1.01 115.11 118.42 3ij5 h GLN 20 Ca 0.19 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3ij5 h GLN 20 Cb -0.07 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.15 3ij5 h GLN 20 CO -0.04 0.84 0.11 0.00 -0.95 0.00 0.00 178.83 178.78 3ij5 h ARG 21 N 1.06 0.57 -0.09 1.46 3.08 -0.86 -2.96 114.38 116.65 3ij5 h ARG 21 Ca 0.26 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3ij5 h ARG 21 Cb 0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3ij5 h ARG 21 CO -0.03 0.59 -0.04 0.00 -1.07 0.00 0.00 179.97 179.42 3ij5 h ALA 22 N 0.95 1.78 0.00 0.04 0.00 -0.56 -2.47 119.26 119.00 3ij5 h ALA 22 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ij5 h ALA 22 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ij5 h ALA 22 CO -0.00 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3ij5 h ALA 23 N 1.85 1.00 -0.03 0.00 0.00 -1.02 -2.89 119.26 118.18 3ij5 h ALA 23 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ij5 h ALA 23 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ij5 h ALA 23 CO 0.01 0.00 -0.04 -1.71 0.00 0.00 0.00 179.25 177.50 3ij5 n ASN 24 N -2.87 2.72 -4.69 0.00 5.15 -0.93 -4.79 115.26 109.85 3ij5 n ASN 24 Ca -0.01 -1.89 -0.42 0.00 -0.60 0.00 0.00 54.58 51.67 3ij5 n ASN 24 Cb 0.19 0.04 -0.03 0.00 -0.53 0.00 0.00 39.78 39.45 3ij5 n ASN 24 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ij5 s ILE 25 N -2.05 3.81 -0.08 -1.44 -1.09 -1.09 -4.37 121.20 114.89 3ij5 s ILE 25 Ca 0.28 1.20 0.02 0.00 -2.23 0.00 0.00 60.65 59.93 3ij5 s ILE 25 Cb 0.20 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 3ij5 s ILE 25 CO 0.33 0.01 0.09 0.54 -1.23 0.00 0.00 174.94 174.68 3ij5 n ARG 26 N 5.14 4.29 -3.72 2.79 1.74 0.38 -4.98 116.66 122.29 3ij5 n ARG 26 Ca 0.12 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.06 3ij5 n ARG 26 Cb 0.44 -0.75 -0.14 0.00 -1.02 0.00 0.00 32.46 30.99 3ij5 n ARG 26 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3ij5 s LEU 27 N -2.44 0.41 -0.21 0.55 2.96 -0.90 -1.84 118.68 117.21 3ij5 s LEU 27 Ca 0.00 0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 54.26 3ij5 s LEU 27 Cb 0.02 0.49 -0.02 0.00 0.50 0.00 0.00 46.19 47.18 3ij5 s LEU 27 CO 0.10 -0.18 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.73 3ij5 s LEU 28 N 1.49 3.20 -0.15 -0.68 2.96 0.17 -0.86 118.68 124.81 3ij5 s LEU 28 Ca -0.06 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3ij5 s LEU 28 Cb -0.11 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 3ij5 s LEU 28 CO -0.07 0.05 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.32 3ij5 s ILE 29 N 1.11 3.71 0.00 6.68 1.01 0.31 -0.77 121.20 133.25 3ij5 s ILE 29 Ca 0.02 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.33 3ij5 s ILE 29 Cb -0.14 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 3ij5 s ILE 29 CO 0.01 0.50 -0.24 0.00 0.00 0.00 0.00 174.94 175.21 3ij5 s ASP 31 N -0.76 4.72 -0.04 0.00 2.15 -0.87 -2.00 116.67 119.88 3ij5 s ASP 31 Ca 0.10 0.87 -0.05 0.00 0.43 0.00 0.00 52.55 53.90 3ij5 s ASP 31 Cb -0.09 -1.44 -0.02 0.00 -0.30 0.00 0.00 42.92 41.07 3ij5 s ASP 31 CO -0.00 -1.78 -0.09 0.52 -0.17 0.00 0.00 175.17 173.65 3ij5 n VAL 32 N -3.25 0.55 -2.10 1.11 0.31 -1.26 -4.18 118.33 109.50 3ij5 n VAL 32 Ca 0.08 0.30 -0.43 0.00 -0.01 0.00 0.00 64.34 64.28 3ij5 n VAL 32 Cb 0.60 -1.65 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 3ij5 n VAL 32 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3ij5 s ASP 33 N -4.93 6.51 0.00 4.52 1.01 -1.26 -0.31 116.67 122.20 3ij5 s ASP 33 Ca -0.08 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.00 3ij5 s ASP 33 Cb 0.01 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3ij5 s ASP 33 CO 0.12 -1.12 0.00 0.61 0.21 0.00 0.00 175.17 174.99 3ij5 n GLY 34 N 4.41 0.61 0.79 0.21 0.00 -0.94 -4.76 105.19 105.51 3ij5 n GLY 34 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 3ij5 n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ij5 n VAL 35 N -2.00 1.25 0.79 1.61 0.31 -0.66 -4.08 118.33 115.54 3ij5 n VAL 35 Ca 0.00 0.31 0.13 0.00 -0.01 0.00 0.00 64.34 64.76 3ij5 n VAL 35 Cb 0.00 -1.78 0.32 0.00 -0.91 0.00 0.00 33.84 31.47 3ij5 n VAL 35 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3ij5 n MET 36 N -3.73 0.14 -4.28 5.55 2.81 0.57 -1.97 117.12 116.22 3ij5 n MET 36 Ca -0.05 0.06 -0.16 0.00 -1.81 0.00 0.00 57.70 55.75 3ij5 n MET 36 Cb 0.17 -1.61 -0.10 0.00 -0.71 0.00 0.00 33.22 30.97 3ij5 n MET 36 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3ij5 s SER 37 N -3.67 0.99 -0.01 7.83 1.04 -1.12 -3.87 113.70 114.88 3ij5 s SER 37 Ca 0.10 -1.47 0.04 0.00 0.48 0.00 0.00 55.95 55.10 3ij5 s SER 37 Cb 0.16 0.34 0.13 0.00 0.10 0.00 0.00 66.02 66.74 3ij5 s SER 37 CO 0.66 -0.84 1.00 -0.90 0.98 0.00 0.00 173.24 174.14 3ij5 n ASP 38 N -0.63 1.03 0.00 7.02 5.75 -1.24 -2.22 116.55 126.26 3ij5 n ASP 38 Ca 0.02 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 3ij5 n ASP 38 Cb 0.65 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3ij5 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ij5 n GLY 39 N 0.56 0.68 3.82 6.12 0.00 -1.26 -4.68 105.19 110.42 3ij5 n GLY 39 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3ij5 n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ij5 s LEU 40 N 0.00 4.39 -0.19 0.99 1.43 -1.26 -4.77 118.68 119.26 3ij5 s LEU 40 Ca 0.00 1.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 3ij5 s LEU 40 Cb 0.00 -3.43 0.03 0.00 0.03 0.00 0.00 46.19 42.82 3ij5 s LEU 40 CO 0.00 0.09 -0.16 -0.63 0.23 0.00 0.00 176.35 175.87 3ij5 s ILE 41 N -1.43 1.95 -0.21 -0.59 -1.09 -1.26 -4.72 121.20 113.85 3ij5 s ILE 41 Ca 0.40 -1.02 -0.17 0.00 -2.23 0.00 0.00 60.65 57.63 3ij5 s ILE 41 Cb -0.17 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.82 3ij5 s ILE 41 CO 0.21 0.38 0.44 -0.31 -1.23 0.00 0.00 174.94 174.43 3ij5 s TYR 42 N 1.30 3.36 0.00 3.97 2.02 -0.82 -4.98 117.35 122.20 3ij5 s TYR 42 Ca 0.02 0.65 0.06 0.00 -0.37 0.00 0.00 57.07 57.43 3ij5 s TYR 42 Cb -0.15 -2.58 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 3ij5 s TYR 42 CO -0.11 -0.05 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.00 3ij5 s MET 43 N 1.47 1.37 0.42 -0.62 -1.94 -1.26 -1.22 119.30 117.52 3ij5 s MET 43 Ca 0.20 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 53.56 3ij5 s MET 43 Cb -0.15 -1.35 -0.06 0.00 2.01 0.00 0.00 34.83 35.28 3ij5 s MET 43 CO 0.09 0.36 0.07 0.20 -0.01 0.00 0.00 175.02 175.73 3ij5 s GLY 44 N -0.61 2.50 0.55 -0.03 0.00 -0.36 -4.98 107.32 104.39 3ij5 s GLY 44 Ca 0.06 -2.03 0.32 0.00 0.00 0.00 0.00 44.72 43.08 3ij5 s GLY 44 CO -0.00 -2.05 2.09 3.43 0.00 0.00 0.00 173.10 176.57 3ij5 h ASN 45 N 1.59 0.00 -0.70 1.64 2.35 -2.02 -2.27 115.58 116.17 3ij5 h ASN 45 Ca -0.43 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.07 3ij5 h ASN 45 Cb 1.25 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.48 3ij5 h ASN 45 CO 0.76 0.07 0.27 0.00 -1.65 0.00 0.00 177.43 176.89 3ij5 n GLN 46 N -3.36 3.25 -1.02 0.81 3.00 -1.26 -4.91 117.38 113.89 3ij5 n GLN 46 Ca -0.01 -3.07 -0.01 0.00 -0.01 0.00 0.00 57.00 53.90 3ij5 n GLN 46 Cb 0.24 -2.14 -0.00 0.00 0.00 0.00 0.00 30.24 28.33 3ij5 n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ij5 n GLY 47 N -0.44 0.37 3.76 1.08 0.00 -0.85 -5.00 105.19 104.10 3ij5 n GLY 47 Ca 0.42 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 3ij5 n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ij5 s GLU 48 N -0.93 2.69 -0.05 1.61 1.03 -1.25 -4.79 118.70 117.00 3ij5 s GLU 48 Ca 0.00 1.47 -0.03 0.00 0.03 0.00 0.00 54.97 56.44 3ij5 s GLU 48 Cb 0.00 -1.93 0.03 0.00 -0.80 0.00 0.00 34.13 31.43 3ij5 s GLU 48 CO 0.00 -1.35 0.12 -2.00 -1.33 0.00 0.00 175.26 170.70 3ij5 s GLU 49 N -4.03 0.08 0.13 -4.83 2.12 -1.26 -1.23 118.70 109.67 3ij5 s GLU 49 Ca 0.68 0.29 0.07 0.00 0.36 0.00 0.00 54.97 56.37 3ij5 s GLU 49 Cb -0.22 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.00 3ij5 s GLU 49 CO 0.42 -0.13 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.32 3ij5 s LEU 50 N 0.89 2.38 0.01 2.70 1.43 -0.35 -4.99 118.68 120.74 3ij5 s LEU 50 Ca -0.07 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.27 3ij5 s LEU 50 Cb -0.09 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 3ij5 s LEU 50 CO -0.04 -0.04 -0.05 -0.75 0.23 0.00 0.00 176.35 175.70 3ij5 s LYS 51 N -2.42 0.35 -0.19 1.70 2.20 -1.26 -1.95 119.74 118.16 3ij5 s LYS 51 Ca 0.10 -0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 55.24 3ij5 s LYS 51 Cb -0.07 -0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.01 3ij5 s LYS 51 CO 0.05 0.04 0.04 0.00 -0.36 0.00 0.00 175.35 175.12 3ij5 s ALA 52 N -0.71 3.25 0.22 3.13 0.00 -1.26 -5.09 121.76 121.30 3ij5 s ALA 52 Ca -0.05 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.13 3ij5 s ALA 52 Cb -0.05 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 3ij5 s ALA 52 CO -0.00 0.01 0.02 -0.06 0.00 0.00 0.00 175.76 175.73 3ij5 s PHE 53 N 0.69 2.81 -0.22 0.00 0.08 -1.26 -4.38 117.98 115.71 3ij5 s PHE 53 Ca 0.02 -0.17 -0.09 0.00 0.12 0.00 0.00 56.93 56.81 3ij5 s PHE 53 Cb -0.14 -1.30 -0.05 0.00 -0.57 0.00 0.00 43.02 40.96 3ij5 s PHE 53 CO 0.02 0.56 0.12 1.21 -0.10 0.00 0.00 175.22 177.03 3ij5 s ASN 54 N -3.35 5.90 0.30 1.36 3.84 -1.25 -4.99 114.94 116.75 3ij5 s ASN 54 Ca 0.30 0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.46 3ij5 s ASN 54 Cb -0.08 -2.05 0.47 0.00 -0.55 0.00 0.00 41.25 39.05 3ij5 s ASN 54 CO 0.20 0.10 1.87 -0.37 -2.79 0.00 0.00 177.10 176.12 3ij5 h VAL 55 N 4.97 1.21 -0.03 -5.21 -1.51 -1.97 -2.50 116.25 111.21 3ij5 h VAL 55 Ca -0.38 -0.69 -0.03 0.00 -1.23 0.00 0.00 66.70 64.37 3ij5 h VAL 55 Cb 1.17 0.58 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 3ij5 h VAL 55 CO 0.68 0.27 -0.11 0.03 -1.23 0.00 0.00 177.57 177.20 3ij5 h ARG 56 N 0.79 0.05 -0.45 5.19 3.08 -1.96 -0.73 114.38 120.35 3ij5 h ARG 56 Ca 0.18 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 3ij5 h ARG 56 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3ij5 h ARG 56 CO -0.01 0.16 -0.11 -0.44 -1.07 0.00 0.00 179.97 178.50 3ij5 h ASP 57 N 0.05 0.88 -0.69 7.04 3.32 -1.82 -2.60 116.42 122.60 3ij5 h ASP 57 Ca 0.01 -0.36 0.07 0.00 0.02 0.00 0.00 57.03 56.76 3ij5 h ASP 57 Cb 0.22 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 3ij5 h ASP 57 CO 0.01 1.04 0.38 1.23 -1.72 0.00 0.00 179.24 180.18 3ij5 h GLY 58 N 0.71 1.02 0.99 2.75 0.00 -0.86 -0.37 103.07 107.32 3ij5 h GLY 58 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3ij5 h GLY 58 CO 0.05 0.14 0.31 -1.82 0.00 0.00 0.00 176.54 175.21 3ij5 h TYR 59 N 0.68 0.87 -0.49 5.60 3.20 -1.20 -1.46 116.97 124.17 3ij5 h TYR 59 Ca 0.32 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3ij5 h TYR 59 Cb 0.23 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3ij5 h TYR 59 CO -0.08 0.65 0.27 0.78 -1.64 0.00 0.00 178.16 178.14 3ij5 h GLY 60 N 0.83 0.73 0.99 1.82 0.00 -0.96 -1.46 103.07 105.02 3ij5 h GLY 60 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3ij5 h GLY 60 CO -0.03 0.32 0.32 -2.22 0.00 0.00 0.00 176.54 174.93 3ij5 h ILE 61 N 0.65 1.17 -0.61 2.60 2.04 -0.89 -1.67 117.51 120.80 3ij5 h ILE 61 Ca 0.17 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3ij5 h ILE 61 Cb 0.04 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3ij5 h ILE 61 CO -0.03 0.18 0.19 0.03 0.00 0.00 0.00 178.15 178.52 3ij5 h ARG 62 N 0.75 0.93 -0.53 2.37 3.08 -1.04 -1.53 114.38 118.41 3ij5 h ARG 62 Ca 0.20 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3ij5 h ARG 62 Cb 0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3ij5 h ARG 62 CO -0.04 0.80 0.27 0.00 -1.07 0.00 0.00 179.97 179.93 3ij5 h LEU 64 N 0.71 -0.54 -0.54 0.00 3.38 -0.99 -1.57 115.31 115.76 3ij5 h LEU 64 Ca 0.18 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3ij5 h LEU 64 Cb 0.08 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3ij5 h LEU 64 CO -0.03 -0.33 0.19 0.40 0.09 0.00 0.00 178.44 178.77 3ij5 h ILE 65 N -0.71 0.80 0.00 1.22 2.04 -1.18 0.13 117.51 119.81 3ij5 h ILE 65 Ca -0.06 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ij5 h ILE 65 Cb 0.52 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3ij5 h ILE 65 CO 0.11 0.07 0.00 0.35 0.00 0.00 0.00 178.15 178.67 3ij5 n THR 66 N -5.01 0.85 -0.90 -0.27 -2.24 0.07 -1.97 114.28 104.82 3ij5 n THR 66 Ca 0.06 0.22 0.07 0.00 -2.27 0.00 0.00 64.05 62.14 3ij5 n THR 66 Cb 0.23 -1.11 0.39 0.00 -2.10 0.00 0.00 70.33 67.73 3ij5 n THR 66 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3ij5 n SER 67 N -2.10 5.45 -1.25 3.42 7.64 0.35 -4.94 113.62 122.19 3ij5 n SER 67 Ca 0.02 -2.91 -0.12 0.00 1.01 0.00 0.00 58.87 56.88 3ij5 n SER 67 Cb 0.22 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.75 3ij5 n SER 67 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ij5 n ASP 68 N 0.51 -3.95 -4.18 6.43 8.00 -0.83 -5.01 116.55 117.52 3ij5 n ASP 68 Ca 0.27 0.06 -0.34 0.00 0.71 0.00 0.00 54.79 55.49 3ij5 n ASP 68 Cb 1.14 -3.01 -0.14 0.00 -0.02 0.00 0.00 41.12 39.09 3ij5 n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ij5 s ILE 69 N -2.56 2.86 0.47 0.53 1.01 -0.56 -4.99 121.20 117.96 3ij5 s ILE 69 Ca 0.00 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.22 3ij5 s ILE 69 Cb 0.00 -2.53 -0.07 0.00 0.01 0.00 0.00 42.46 39.87 3ij5 s ILE 69 CO 0.00 0.08 1.28 -1.81 0.00 0.00 0.00 174.94 174.49 3ij5 s ASP 70 N 1.28 5.91 -0.10 3.58 1.01 -0.77 -3.02 116.67 124.57 3ij5 s ASP 70 Ca -0.02 2.59 0.02 0.00 0.71 0.00 0.00 52.55 55.84 3ij5 s ASP 70 Cb -0.18 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.14 3ij5 s ASP 70 CO -0.03 -1.12 -0.14 -0.69 0.21 0.00 0.00 175.17 173.39 3ij5 s VAL 71 N -1.36 1.39 0.17 -1.27 1.01 -1.26 -0.65 120.40 118.43 3ij5 s VAL 71 Ca 0.64 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.09 3ij5 s VAL 71 Cb -0.36 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3ij5 s VAL 71 CO 0.44 0.42 -0.13 0.00 0.00 0.00 0.00 175.10 175.83 3ij5 s ALA 72 N 0.89 1.76 -0.05 5.51 0.00 0.05 -4.45 121.76 125.47 3ij5 s ALA 72 Ca -0.09 -1.54 0.04 0.00 0.00 0.00 0.00 51.96 50.37 3ij5 s ALA 72 Cb -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3ij5 s ALA 72 CO 0.00 0.04 -0.16 0.42 0.00 0.00 0.00 175.76 176.06 3ij5 s ILE 73 N -2.87 1.40 -0.13 0.00 1.01 -0.42 -0.67 121.20 119.53 3ij5 s ILE 73 Ca 0.18 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 3ij5 s ILE 73 Cb -0.01 -1.22 0.03 0.00 0.01 0.00 0.00 42.46 41.27 3ij5 s ILE 73 CO 0.04 0.41 -0.07 -0.63 0.00 0.00 0.00 174.94 174.69 3ij5 s ILE 74 N 0.18 1.05 0.03 2.92 1.01 -0.84 -0.58 121.20 124.97 3ij5 s ILE 74 Ca -0.07 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3ij5 s ILE 74 Cb -0.13 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3ij5 s ILE 74 CO 0.03 0.30 -0.05 0.28 0.00 0.00 0.00 174.94 175.50 3ij5 s THR 75 N 1.69 0.31 -0.38 2.92 -1.32 0.17 -4.30 115.64 114.73 3ij5 s THR 75 Ca 0.04 -1.08 0.22 0.00 -1.21 0.00 0.00 61.69 59.66 3ij5 s THR 75 Cb -0.13 -0.53 0.27 0.00 -1.51 0.00 0.00 72.50 70.59 3ij5 s THR 75 CO -0.08 -0.50 1.53 1.23 -2.21 0.00 0.00 174.62 174.59 3ij5 h GLY 76 N 4.42 0.00 -1.40 6.08 0.00 -1.86 -1.11 103.07 109.20 3ij5 h GLY 76 Ca -0.34 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.54 3ij5 h GLY 76 CO 0.43 0.00 0.13 0.50 0.00 0.00 0.00 176.54 177.60 3ij5 s ARG 77 N -3.18 2.04 -0.10 4.80 0.52 -1.26 -3.59 118.95 118.18 3ij5 s ARG 77 Ca 0.06 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 54.56 3ij5 s ARG 77 Cb 0.06 -2.29 0.05 0.00 0.52 0.00 0.00 34.95 33.29 3ij5 s ARG 77 CO 0.69 -1.22 0.20 0.50 0.02 0.00 0.00 175.30 175.49 3ij5 s ARG 78 N -5.12 0.09 -0.19 3.54 3.52 -1.26 -0.40 118.95 119.12 3ij5 s ARG 78 Ca 0.62 0.61 -0.17 0.00 -0.13 0.00 0.00 55.73 56.66 3ij5 s ARG 78 Cb -0.09 -0.17 0.05 0.00 -1.56 0.00 0.00 34.95 33.18 3ij5 s ARG 78 CO 0.43 -0.28 0.51 0.00 -0.81 0.00 0.00 175.30 175.16 3ij5 s ALA 79 N 2.18 -1.27 0.32 6.12 0.00 -1.26 -5.02 121.76 122.83 3ij5 s ALA 79 Ca 0.01 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.46 3ij5 s ALA 79 Cb -0.12 -0.85 0.60 0.00 0.00 0.00 0.00 23.12 22.75 3ij5 s ALA 79 CO -0.07 -0.25 1.91 -0.22 0.00 0.00 0.00 175.76 177.14 3ij5 h LYS 80 N 5.42 0.91 -0.46 0.00 1.63 -2.00 -2.02 116.57 120.05 3ij5 h LYS 80 Ca -0.28 -0.05 0.09 0.00 -0.85 0.00 0.00 60.65 59.56 3ij5 h LYS 80 Cb 1.18 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 3ij5 h LYS 80 CO 0.19 0.60 0.31 1.37 -3.45 0.00 0.00 179.45 178.47 3ij5 h LEU 81 N 0.94 0.18 -0.13 5.20 8.10 -1.96 -0.74 115.31 126.91 3ij5 h LEU 81 Ca 0.39 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 58.15 3ij5 h LEU 81 Cb 0.29 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 3ij5 h LEU 81 CO -0.15 0.11 -0.99 0.25 -4.11 0.00 0.00 178.44 173.55 3ij5 h LEU 82 N 0.20 0.53 -0.46 0.17 5.85 -1.79 -1.51 115.31 118.30 3ij5 h LEU 82 Ca 0.21 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3ij5 h LEU 82 Cb 0.57 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3ij5 h LEU 82 CO -0.04 1.25 0.28 -0.33 -0.34 0.00 0.00 178.44 179.26 3ij5 h GLU 83 N 0.21 0.63 -0.21 1.25 5.08 -1.15 0.18 114.58 120.58 3ij5 h GLU 83 Ca -0.09 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3ij5 h GLU 83 Cb 1.63 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 3ij5 h GLU 83 CO 0.17 0.46 0.01 -0.44 -1.00 0.00 0.00 179.01 178.21 3ij5 h ASP 84 N 0.61 -0.07 -0.24 1.42 3.32 -1.13 0.17 116.42 120.50 3ij5 h ASP 84 Ca 0.17 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3ij5 h ASP 84 Cb -0.00 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3ij5 h ASP 84 CO -0.03 -0.01 0.14 -0.09 -1.72 0.00 0.00 179.24 177.54 3ij5 h ARG 85 N 0.07 0.29 -0.55 3.56 9.65 -0.95 -1.73 114.38 124.72 3ij5 h ARG 85 Ca 0.10 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 3ij5 h ARG 85 Cb 0.12 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.58 3ij5 h ARG 85 CO -0.16 0.19 0.29 0.00 2.80 0.00 0.00 179.97 183.09 3ij5 h ALA 86 N 1.10 0.72 -0.75 2.80 0.00 -0.30 -2.47 119.26 120.36 3ij5 h ALA 86 Ca 0.09 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ij5 h ALA 86 Cb -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3ij5 h ALA 86 CO -0.04 -0.05 0.46 -0.91 0.00 0.00 0.00 179.25 178.72 3ij5 h ASN 87 N 0.56 0.75 0.37 0.00 2.35 -0.57 -0.85 115.58 118.18 3ij5 h ASN 87 Ca 0.24 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 3ij5 h ASN 87 Cb 0.14 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3ij5 h ASN 87 CO -0.16 0.51 -0.20 0.71 -1.65 0.00 0.00 177.43 176.64 3ij5 h THR 88 N 0.89 0.84 -0.00 2.81 1.35 -0.90 -2.35 112.91 115.54 3ij5 h THR 88 Ca 0.31 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3ij5 h THR 88 Cb 0.07 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3ij5 h THR 88 CO -0.13 0.19 -0.42 0.18 -0.25 0.00 0.00 175.52 175.09 3ij5 n LEU 89 N -3.87 0.84 -0.16 3.87 4.77 -0.76 -4.61 117.00 117.08 3ij5 n LEU 89 Ca -0.02 -0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 55.75 3ij5 n LEU 89 Cb 0.29 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3ij5 n LEU 89 CO 0.33 0.18 -0.02 0.61 -1.33 0.00 0.00 177.39 177.16 3ij5 n GLY 90 N 1.42 0.55 3.67 -0.72 0.00 -0.57 -4.73 105.19 104.82 3ij5 n GLY 90 Ca 0.09 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 3ij5 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ij5 s ILE 91 N -2.07 4.73 -0.54 -0.61 1.01 -0.43 -4.92 121.20 118.37 3ij5 s ILE 91 Ca 0.00 1.96 0.17 0.00 0.00 0.00 0.00 60.65 62.78 3ij5 s ILE 91 Cb 0.00 -4.28 -0.21 0.00 0.01 0.00 0.00 42.46 37.98 3ij5 s ILE 91 CO 0.00 -0.11 0.60 0.35 0.00 0.00 0.00 174.94 175.78 3ij5 n THR 92 N 5.09 0.00 -3.47 2.92 -2.24 -1.26 -4.39 114.28 110.93 3ij5 n THR 92 Ca 0.10 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 3ij5 n THR 92 Cb 0.47 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 3ij5 n THR 92 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ij5 s HIS 93 N -2.78 3.72 -0.16 4.78 3.76 -1.26 -5.02 115.29 118.32 3ij5 s HIS 93 Ca 0.02 -2.37 0.01 0.00 -0.15 0.00 0.00 55.06 52.58 3ij5 s HIS 93 Cb 0.12 -3.59 0.01 0.00 1.11 0.00 0.00 32.58 30.23 3ij5 s HIS 93 CO 0.70 -0.92 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.31 3ij5 s LEU 94 N -0.18 2.22 -0.25 0.89 2.96 -1.26 -1.30 118.68 121.76 3ij5 s LEU 94 Ca 0.20 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3ij5 s LEU 94 Cb -0.13 -1.49 0.05 0.00 0.50 0.00 0.00 46.19 45.12 3ij5 s LEU 94 CO -0.07 0.05 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.58 3ij5 s TYR 95 N 1.00 3.20 0.28 5.38 2.02 0.25 -4.99 117.35 124.51 3ij5 s TYR 95 Ca -0.02 -2.20 0.09 0.00 -0.37 0.00 0.00 57.07 54.57 3ij5 s TYR 95 Cb -0.15 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 3ij5 s TYR 95 CO -0.05 -0.86 0.07 -0.65 -1.57 0.00 0.00 175.55 172.48 3ij5 s GLN 96 N 1.14 2.41 -1.70 -0.62 -0.21 -1.26 -0.66 119.66 118.76 3ij5 s GLN 96 Ca -0.07 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 53.91 3ij5 s GLN 96 Cb -0.19 -2.23 0.00 0.00 1.00 0.00 0.00 33.01 31.59 3ij5 s GLN 96 CO -0.06 0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.82 3ij5 n GLY 97 N -1.01 -0.18 3.61 3.09 0.00 0.46 -4.93 105.19 106.23 3ij5 n GLY 97 Ca -0.06 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3ij5 n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ij5 s GLN 98 N -4.82 4.00 -0.03 1.61 -1.52 -0.48 -4.93 119.66 113.48 3ij5 s GLN 98 Ca 0.00 0.47 -0.08 0.00 -1.95 0.00 0.00 55.36 53.80 3ij5 s GLN 98 Cb 0.00 -3.70 -0.30 0.00 -0.22 0.00 0.00 33.01 28.80 3ij5 s GLN 98 CO 0.00 -0.53 0.74 0.66 -0.25 0.00 0.00 175.29 175.91 3ij5 h SER 99 N 8.05 0.54 -3.68 5.90 4.64 -1.88 -3.32 113.55 123.80 3ij5 h SER 99 Ca -0.26 -0.79 -0.69 0.00 -0.47 0.00 0.00 61.79 59.59 3ij5 h SER 99 Cb 1.11 -0.18 -0.33 0.00 -0.31 0.00 0.00 62.40 62.70 3ij5 h SER 99 CO 0.81 1.66 -0.65 -0.62 -0.87 0.00 0.00 176.83 177.16 3ij5 s ASP 100 N -7.18 5.06 0.35 4.97 2.15 -1.26 -4.99 116.67 115.77 3ij5 s ASP 100 Ca -0.13 -1.44 0.27 0.00 0.43 0.00 0.00 52.55 51.67 3ij5 s ASP 100 Cb 0.06 -1.77 1.09 0.00 -0.30 0.00 0.00 42.92 42.00 3ij5 s ASP 100 CO 0.86 -0.34 1.80 0.11 -0.17 0.00 0.00 175.17 177.42 3ij5 h LYS 101 N 8.05 0.00 -0.22 4.34 1.57 -1.86 -3.15 116.57 125.29 3ij5 h LYS 101 Ca -0.19 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 3ij5 h LYS 101 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3ij5 h LYS 101 CO 0.59 0.00 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.31 3ij5 h LEU 102 N 0.00 0.33 0.31 2.94 3.38 -1.94 -2.03 115.31 118.30 3ij5 h LEU 102 Ca 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3ij5 h LEU 102 Cb 0.44 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ij5 h LEU 102 CO 0.00 0.46 -0.15 0.58 0.09 0.00 0.00 178.44 179.42 3ij5 h VAL 103 N 0.33 0.70 -0.70 1.22 2.07 -1.99 0.12 116.25 118.01 3ij5 h VAL 103 Ca 0.07 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3ij5 h VAL 103 Cb 0.37 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3ij5 h VAL 103 CO 0.02 0.02 0.40 0.00 0.02 0.00 0.00 177.57 178.03 3ij5 h ALA 104 N 0.20 0.89 -0.28 1.67 0.00 -1.73 -1.65 119.26 118.36 3ij5 h ALA 104 Ca -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3ij5 h ALA 104 Cb 0.36 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ij5 h ALA 104 CO 0.07 0.39 0.15 -0.92 0.00 0.00 0.00 179.25 178.94 3ij5 h TYR 105 N 0.96 0.27 -0.15 0.00 3.20 -1.16 -0.66 116.97 119.43 3ij5 h TYR 105 Ca 0.25 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 3ij5 h TYR 105 Cb 0.01 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3ij5 h TYR 105 CO -0.01 0.15 -0.26 0.45 -1.64 0.00 0.00 178.16 176.86 3ij5 h HIS 106 N 0.31 0.29 -0.53 -3.82 3.86 -0.52 -1.93 115.15 112.81 3ij5 h HIS 106 Ca 0.12 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.16 3ij5 h HIS 106 Cb 0.03 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 3ij5 h HIS 106 CO -0.09 0.51 -0.12 1.49 0.86 0.00 0.00 177.93 180.58 3ij5 h GLU 107 N 0.24 1.01 -0.39 2.45 4.81 -0.93 -2.52 114.58 119.25 3ij5 h GLU 107 Ca 0.04 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 3ij5 h GLU 107 Cb 0.59 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3ij5 h GLU 107 CO 0.04 1.07 0.17 -0.07 -0.73 0.00 0.00 179.01 179.49 3ij5 h LEU 108 N 0.88 0.52 -0.22 1.64 3.38 -0.80 0.20 115.31 120.92 3ij5 h LEU 108 Ca 0.14 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3ij5 h LEU 108 Cb 0.68 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3ij5 h LEU 108 CO 0.05 0.52 -0.13 -0.07 0.09 0.00 0.00 178.44 178.91 3ij5 h LEU 109 N 0.49 -0.42 -0.31 1.67 3.38 -1.21 0.06 115.31 118.96 3ij5 h LEU 109 Ca 0.13 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3ij5 h LEU 109 Cb 0.15 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ij5 h LEU 109 CO -0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 178.44 178.35 3ij5 h ALA 110 N 1.06 0.42 -0.43 1.53 0.00 -1.27 0.57 119.26 121.14 3ij5 h ALA 110 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ij5 h ALA 110 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ij5 h ALA 110 CO -0.29 0.18 0.27 1.15 0.00 0.00 0.00 179.25 180.56 3ij5 h THR 111 N 0.35 1.08 -0.09 0.00 2.02 -0.39 -2.96 112.91 112.93 3ij5 h THR 111 Ca 0.09 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3ij5 h THR 111 Cb 0.45 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3ij5 h THR 111 CO 0.02 0.10 0.00 0.18 0.37 0.00 0.00 175.52 176.19 3ij5 n LEU 112 N -4.82 2.23 -3.89 2.58 4.77 -0.01 -4.96 117.00 112.90 3ij5 n LEU 112 Ca 0.01 -0.81 -0.25 0.00 -0.03 0.00 0.00 56.01 54.94 3ij5 n LEU 112 Cb 0.04 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3ij5 n LEU 112 CO 0.34 0.40 -0.16 0.00 -1.33 0.00 0.00 177.39 176.64 3ij5 n GLN 113 N 0.72 -3.89 -4.22 3.23 1.13 0.09 -4.97 117.38 109.48 3ij5 n GLN 113 Ca 0.17 0.48 -0.30 0.00 -1.94 0.00 0.00 57.00 55.40 3ij5 n GLN 113 Cb 0.46 -4.80 -0.09 0.00 0.11 0.00 0.00 30.24 25.92 3ij5 n GLN 113 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ij5 s GLN 115 N -2.10 3.63 0.30 0.00 -1.52 -1.26 -4.73 119.66 113.98 3ij5 s GLN 115 Ca 0.23 0.01 0.01 0.00 -1.95 0.00 0.00 55.36 53.65 3ij5 s GLN 115 Cb -0.11 -2.65 0.53 0.00 -0.22 0.00 0.00 33.01 30.55 3ij5 s GLN 115 CO 0.15 0.22 1.89 -1.35 -0.25 0.00 0.00 175.29 175.95 3ij5 h PRO 116 N 1.72 1.01 0.00 2.91 0.11 -1.96 -0.09 132.00 135.69 3ij5 h PRO 116 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3ij5 h PRO 116 Cb 1.19 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3ij5 h PRO 116 CO 0.66 0.67 0.00 0.93 -0.21 0.00 0.00 178.00 180.05 3ij5 h GLU 117 N 1.04 0.00 -0.43 1.05 3.07 -1.90 -0.53 114.58 116.88 3ij5 h GLU 117 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3ij5 h GLU 117 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3ij5 h GLU 117 CO -0.17 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.48 3ij5 n GLN 118 N -2.55 2.18 -4.78 2.33 6.02 -0.05 -4.17 117.38 116.36 3ij5 n GLN 118 Ca -0.01 -1.81 -0.33 0.00 -0.01 0.00 0.00 57.00 54.84 3ij5 n GLN 118 Cb 0.10 -1.43 -0.13 0.00 1.02 0.00 0.00 30.24 29.80 3ij5 n GLN 118 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ij5 s VAL 119 N -1.43 3.23 0.06 5.09 1.01 -0.29 -0.47 120.40 127.60 3ij5 s VAL 119 Ca 0.35 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.77 3ij5 s VAL 119 Cb 0.19 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3ij5 s VAL 119 CO 0.26 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.77 3ij5 s ALA 120 N -0.41 2.71 -0.03 5.51 0.00 -0.04 -1.78 121.76 127.72 3ij5 s ALA 120 Ca 0.05 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 3ij5 s ALA 120 Cb -0.12 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.25 3ij5 s ALA 120 CO 0.02 0.59 0.02 -0.47 0.00 0.00 0.00 175.76 175.92 3ij5 s TYR 121 N -1.03 0.21 -0.29 0.00 5.04 -0.17 -0.53 117.35 120.60 3ij5 s TYR 121 Ca 0.17 0.08 -0.08 0.00 -2.44 0.00 0.00 57.07 54.79 3ij5 s TYR 121 Cb -0.11 -0.42 -0.01 0.00 0.35 0.00 0.00 41.96 41.78 3ij5 s TYR 121 CO 0.08 -0.15 0.10 0.42 -1.34 0.00 0.00 175.55 174.66 3ij5 s ILE 122 N 1.38 4.27 0.42 3.14 1.01 -0.49 -0.12 121.20 130.81 3ij5 s ILE 122 Ca -0.05 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.19 3ij5 s ILE 122 Cb -0.13 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3ij5 s ILE 122 CO -0.03 0.16 0.05 -0.83 0.00 0.00 0.00 174.94 174.29 3ij5 s GLY 123 N 1.57 2.59 0.00 6.18 0.00 0.07 -2.04 107.32 115.69 3ij5 s GLY 123 Ca 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.40 3ij5 s GLY 123 CO 0.04 -1.99 0.00 2.09 0.00 0.00 0.00 173.10 173.24 3ij5 n ASP 124 N -1.09 0.13 -3.67 1.64 5.75 -1.26 -2.46 116.55 115.59 3ij5 n ASP 124 Ca -0.09 -0.04 -0.16 0.00 -0.01 0.00 0.00 54.79 54.49 3ij5 n ASP 124 Cb 0.66 0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 40.77 3ij5 n ASP 124 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ij5 s ASP 125 N -0.13 1.03 0.53 -1.12 -1.08 -1.26 -0.67 116.67 113.97 3ij5 s ASP 125 Ca 0.00 -1.59 0.21 0.00 -0.52 0.00 0.00 52.55 50.66 3ij5 s ASP 125 Cb 0.00 0.50 1.41 0.00 -1.46 0.00 0.00 42.92 43.37 3ij5 s ASP 125 CO 0.00 -1.00 2.15 -0.07 0.52 0.00 0.00 175.17 176.76 3ij5 h LEU 126 N 2.31 0.00 -1.70 -1.34 3.38 -1.99 -1.47 115.31 114.51 3ij5 h LEU 126 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3ij5 h LEU 126 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3ij5 h LEU 126 CO 0.42 0.05 0.15 -0.29 0.09 0.00 0.00 178.44 178.86 3ij5 h ILE 127 N 0.00 1.08 0.00 1.22 6.09 -1.99 -1.50 117.51 122.40 3ij5 h ILE 127 Ca -0.00 -0.19 -0.02 0.00 -1.37 0.00 0.00 64.86 63.27 3ij5 h ILE 127 Cb 0.10 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 38.11 3ij5 h ILE 127 CO 0.01 0.08 -0.12 0.44 -3.07 0.00 0.00 178.15 175.49 3ij5 h ASP 128 N 0.35 0.00 -0.72 2.19 3.32 -1.68 -3.38 116.42 116.50 3ij5 h ASP 128 Ca 0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3ij5 h ASP 128 Cb -0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3ij5 h ASP 128 CO -0.02 0.12 0.33 -0.25 -1.72 0.00 0.00 179.24 177.70 3ij5 h TRP 129 N 0.00 1.07 -0.77 4.55 2.91 -1.37 -2.35 115.95 120.00 3ij5 h TRP 129 Ca -0.00 -0.06 0.06 0.00 1.13 0.00 0.00 58.89 60.03 3ij5 h TRP 129 Cb 0.62 -0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 28.89 3ij5 h TRP 129 CO 0.00 0.79 0.50 -1.35 -1.03 0.00 0.00 178.44 177.36 3ij5 h PRO 130 N 1.06 0.80 0.04 2.65 0.11 -1.76 -0.24 132.00 134.66 3ij5 h PRO 130 Ca 0.25 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.19 3ij5 h PRO 130 Cb 0.14 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.09 3ij5 h PRO 130 CO -0.03 0.53 -0.52 0.28 -0.21 0.00 0.00 178.00 178.05 3ij5 h VAL 131 N 0.82 1.52 -0.66 3.15 2.07 -1.81 -3.32 116.25 118.03 3ij5 h VAL 131 Ca 0.33 -2.22 0.12 0.00 0.82 0.00 0.00 66.70 65.75 3ij5 h VAL 131 Cb 0.25 2.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.89 3ij5 h VAL 131 CO -0.11 0.62 0.44 0.24 0.02 0.00 0.00 177.57 178.78 3ij5 h MET 132 N -0.38 0.38 0.00 1.57 2.86 -0.95 -1.33 114.93 117.09 3ij5 h MET 132 Ca -0.08 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3ij5 h MET 132 Cb 1.31 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 3ij5 h MET 132 CO 0.10 0.25 -0.05 0.00 1.06 0.00 0.00 176.91 178.27 3ij5 h ALA 133 N 1.68 1.11 0.00 6.32 0.00 -1.15 -3.19 119.26 124.03 3ij5 h ALA 133 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ij5 h ALA 133 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ij5 h ALA 133 CO -0.09 0.07 -1.18 1.04 0.00 0.00 0.00 179.25 179.08 3ij5 n GLN 134 N -3.31 0.55 -2.51 0.00 1.13 -0.51 -5.03 117.38 107.70 3ij5 n GLN 134 Ca -0.01 -0.05 -0.25 0.00 -1.94 0.00 0.00 57.00 54.74 3ij5 n GLN 134 Cb 0.22 -1.44 0.03 0.00 0.11 0.00 0.00 30.24 29.16 3ij5 n GLN 134 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3ij5 s VAL 135 N -2.99 3.50 0.28 5.09 -7.23 -1.18 -4.69 120.40 113.17 3ij5 s VAL 135 Ca 0.04 -0.17 0.04 0.00 -1.81 0.00 0.00 61.98 60.07 3ij5 s VAL 135 Cb 0.14 -3.38 0.04 0.00 0.56 0.00 0.00 36.38 33.74 3ij5 s VAL 135 CO 0.81 -0.36 1.68 1.23 -0.31 0.00 0.00 175.10 178.16 3ij5 h GLY 136 N -0.09 0.38 -6.82 2.32 0.00 -0.51 -3.41 103.07 94.94 3ij5 h GLY 136 Ca -0.45 -0.35 -0.55 0.00 0.00 0.00 0.00 47.33 45.98 3ij5 h GLY 136 CO 0.59 0.32 -0.79 -2.27 0.00 0.00 0.00 176.54 174.40 3ij5 s LEU 137 N -8.38 0.90 -0.02 3.11 2.96 -0.87 -4.86 118.68 111.51 3ij5 s LEU 137 Ca -0.06 -1.50 -0.19 0.00 -0.22 0.00 0.00 54.13 52.16 3ij5 s LEU 137 Cb 0.13 -0.45 -0.05 0.00 0.50 0.00 0.00 46.19 46.32 3ij5 s LEU 137 CO 0.79 -0.41 0.54 -0.94 -1.32 0.00 0.00 176.35 175.00 3ij5 s SER 138 N 1.84 6.89 -0.06 3.68 1.04 -1.26 -1.00 113.70 124.83 3ij5 s SER 138 Ca 0.11 1.06 0.02 0.00 0.48 0.00 0.00 55.95 57.61 3ij5 s SER 138 Cb -0.17 -2.33 0.01 0.00 0.10 0.00 0.00 66.02 63.63 3ij5 s SER 138 CO -0.29 0.13 -0.11 -0.69 0.98 0.00 0.00 173.24 173.26 3ij5 s VAL 139 N -0.23 1.04 -0.13 5.02 1.01 0.83 -1.58 120.40 126.36 3ij5 s VAL 139 Ca 0.28 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 3ij5 s VAL 139 Cb -0.17 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3ij5 s VAL 139 CO 0.15 0.34 -0.04 0.00 0.00 0.00 0.00 175.10 175.54 3ij5 s ALA 140 N 0.75 3.01 0.68 5.51 0.00 -0.49 -0.75 121.76 130.46 3ij5 s ALA 140 Ca -0.13 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 50.84 3ij5 s ALA 140 Cb -0.15 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.50 3ij5 s ALA 140 CO 0.03 0.33 1.14 0.14 0.00 0.00 0.00 175.76 177.39 3ij5 s VAL 141 N -0.00 2.96 0.30 0.00 -7.23 -1.03 -1.34 120.40 114.06 3ij5 s VAL 141 Ca 0.01 0.46 0.04 0.00 -1.81 0.00 0.00 61.98 60.68 3ij5 s VAL 141 Cb -0.13 -2.99 0.33 0.00 0.56 0.00 0.00 36.38 34.14 3ij5 s VAL 141 CO 0.03 -0.27 1.64 0.00 -0.31 0.00 0.00 175.10 176.19 3ij5 h ALA 142 N -0.02 1.39 -0.78 1.32 0.00 -1.55 -1.44 119.26 118.19 3ij5 h ALA 142 Ca -0.47 0.24 -0.49 0.00 0.00 0.00 0.00 54.91 54.18 3ij5 h ALA 142 Cb 1.26 0.33 -0.27 0.00 0.00 0.00 0.00 17.79 19.11 3ij5 h ALA 142 CO 0.53 -0.52 0.25 -0.40 0.00 0.00 0.00 179.25 179.12 3ij5 n ASP 143 N -5.24 4.98 -4.70 0.00 5.75 -1.26 -5.01 116.55 111.07 3ij5 n ASP 143 Ca 0.24 -3.75 -0.29 0.00 -0.01 0.00 0.00 54.79 50.97 3ij5 n ASP 143 Cb 0.76 -0.74 0.15 0.00 -1.03 0.00 0.00 41.12 40.26 3ij5 n ASP 143 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ij5 s ALA 144 N -3.53 1.34 0.24 2.12 0.00 -0.54 -4.92 121.76 116.47 3ij5 s ALA 144 Ca 0.55 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.02 3ij5 s ALA 144 Cb 0.46 -3.16 -0.14 0.00 0.00 0.00 0.00 23.12 20.28 3ij5 s ALA 144 CO 0.03 -2.52 1.38 1.58 0.00 0.00 0.00 175.76 176.23 3ij5 n HIS 145 N -3.98 2.09 -0.34 0.00 -0.00 0.16 -4.82 115.22 108.33 3ij5 n HIS 145 Ca 0.06 0.46 0.28 0.00 0.46 0.00 0.00 57.72 58.98 3ij5 n HIS 145 Cb 0.56 -2.44 0.59 0.00 -0.12 0.00 0.00 29.99 28.58 3ij5 n HIS 145 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3ij5 h PRO 146 N 4.11 0.24 0.00 1.57 0.11 -1.91 0.47 132.00 136.59 3ij5 h PRO 146 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3ij5 h PRO 146 Cb 1.28 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3ij5 h PRO 146 CO 0.75 0.16 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.46 3ij5 h LEU 147 N 0.25 0.00 0.07 2.35 3.38 -1.98 -3.16 115.31 116.21 3ij5 h LEU 147 Ca 0.61 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.31 3ij5 h LEU 147 Cb 1.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 3ij5 h LEU 147 CO -0.23 0.17 -1.33 0.25 0.09 0.00 0.00 178.44 177.39 3ij5 h LEU 148 N 0.00 0.23 -0.59 1.67 5.85 -1.24 -3.40 115.31 117.83 3ij5 h LEU 148 Ca -0.00 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.52 3ij5 h LEU 148 Cb 0.66 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.50 3ij5 h LEU 148 CO 0.02 1.24 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.90 3ij5 h LEU 149 N 0.04 -1.36 0.00 2.25 3.38 -1.50 -1.08 115.31 117.04 3ij5 h LEU 149 Ca -0.16 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ij5 h LEU 149 Cb 1.93 0.64 0.00 0.00 0.09 0.00 0.00 40.66 43.33 3ij5 h LEU 149 CO 0.15 -0.32 0.00 -2.65 0.09 0.00 0.00 178.44 175.71 3ij5 n PRO 150 N -5.42 0.05 0.02 1.13 -0.02 -1.26 -3.48 135.00 126.03 3ij5 n PRO 150 Ca 0.03 0.19 -0.08 0.00 -2.02 0.00 0.00 63.50 61.62 3ij5 n PRO 150 Cb 0.35 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.20 3ij5 n PRO 150 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3ij5 h LYS 151 N 0.00 0.02 -7.18 -0.52 1.57 -1.41 -3.48 116.57 105.56 3ij5 h LYS 151 Ca 0.00 -0.03 -0.49 0.00 -1.87 0.00 0.00 60.65 58.26 3ij5 h LYS 151 Cb 0.27 0.01 0.05 0.00 0.08 0.00 0.00 32.23 32.64 3ij5 h LYS 151 CO 0.00 0.79 0.38 0.00 -0.57 0.00 0.00 179.45 180.05 3ij5 s ALA 152 N -2.65 2.82 0.30 3.86 0.00 -1.21 -4.97 121.76 119.90 3ij5 s ALA 152 Ca -0.02 0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.36 3ij5 s ALA 152 Cb 0.09 -3.21 0.47 0.00 0.00 0.00 0.00 23.12 20.46 3ij5 s ALA 152 CO 0.82 -0.65 1.73 0.45 0.00 0.00 0.00 175.76 178.12 3ij5 h HIS 153 N 0.64 0.42 -3.47 0.00 3.86 -1.65 -3.44 115.15 111.50 3ij5 h HIS 153 Ca -0.47 -0.09 -0.23 0.00 -1.16 0.00 0.00 60.37 58.42 3ij5 h HIS 153 Cb 1.21 -0.10 -0.29 0.00 1.06 0.00 0.00 27.41 29.29 3ij5 h HIS 153 CO 0.59 0.63 -0.64 -0.47 0.86 0.00 0.00 177.93 178.91 3ij5 s TYR 154 N -4.39 -0.09 -0.19 2.45 5.04 -0.93 -4.93 117.35 114.31 3ij5 s TYR 154 Ca -0.06 0.26 -0.04 0.00 -2.44 0.00 0.00 57.07 54.79 3ij5 s TYR 154 Cb 0.14 -0.04 -0.02 0.00 0.35 0.00 0.00 41.96 42.39 3ij5 s TYR 154 CO 0.78 -0.08 -0.03 0.08 -1.34 0.00 0.00 175.55 174.96 3ij5 s VAL 155 N 0.46 3.69 0.64 3.14 1.01 -1.26 -1.39 120.40 126.69 3ij5 s VAL 155 Ca -0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 3ij5 s VAL 155 Cb -0.05 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3ij5 s VAL 155 CO -0.02 0.45 1.12 0.42 0.00 0.00 0.00 175.10 177.08 3ij5 s THR 156 N 0.90 3.13 0.11 3.92 -4.23 -0.45 -4.89 115.64 114.13 3ij5 s THR 156 Ca -0.00 0.57 0.02 0.00 -1.18 0.00 0.00 61.69 61.09 3ij5 s THR 156 Cb -0.15 -3.11 -0.23 0.00 1.34 0.00 0.00 72.50 70.36 3ij5 s THR 156 CO 0.01 -0.29 1.24 0.03 -0.54 0.00 0.00 174.62 175.08 3ij5 h ARG 157 N 0.25 0.14 -6.32 3.99 -0.00 -1.92 -3.20 114.38 107.32 3ij5 h ARG 157 Ca -0.48 -0.22 -0.56 0.00 -0.50 0.00 0.00 59.98 58.23 3ij5 h ARG 157 Cb 1.25 0.08 -0.04 0.00 0.00 0.00 0.00 29.97 31.26 3ij5 h ARG 157 CO 0.54 1.08 0.02 0.42 0.00 0.00 0.00 179.97 182.03 3ij5 s ILE 158 N -2.77 4.65 0.69 2.04 -1.09 -1.26 -4.79 121.20 118.67 3ij5 s ILE 158 Ca -0.02 1.31 -0.11 0.00 -2.23 0.00 0.00 60.65 59.61 3ij5 s ILE 158 Cb 0.09 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 3ij5 s ILE 158 CO 0.85 0.51 1.06 -0.54 -1.23 0.00 0.00 174.94 175.59 3ij5 s LYS 159 N -1.21 2.98 0.25 2.79 1.02 -1.26 -3.31 119.74 121.00 3ij5 s LYS 159 Ca 0.32 0.90 -0.31 0.00 0.02 0.00 0.00 55.97 56.90 3ij5 s LYS 159 Cb -0.20 -2.00 -0.13 0.00 -0.52 0.00 0.00 37.83 34.98 3ij5 s LYS 159 CO 0.21 -1.06 1.46 0.41 -0.92 0.00 0.00 175.35 175.45 3ij5 n GLY 160 N -2.12 0.92 2.83 -3.33 0.00 -1.26 -1.57 105.19 100.67 3ij5 n GLY 160 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3ij5 n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ij5 n GLY 161 N 2.21 1.96 0.49 -0.02 0.00 -0.83 -3.72 105.19 105.27 3ij5 n GLY 161 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3ij5 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ij5 n ARG 162 N -2.00 0.79 0.00 1.61 5.12 -0.61 -4.54 116.66 117.02 3ij5 n ARG 162 Ca 0.00 -1.26 0.00 0.00 -1.93 0.00 0.00 57.85 54.66 3ij5 n ARG 162 Cb 0.00 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 3ij5 n ARG 162 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ij5 n GLY 163 N 0.67 1.84 0.25 -0.13 0.00 -1.24 -4.87 105.19 101.70 3ij5 n GLY 163 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 3ij5 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij5 h ALA 164 N 0.00 1.04 -0.23 4.61 0.00 -1.76 -1.93 119.26 120.99 3ij5 h ALA 164 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3ij5 h ALA 164 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ij5 h ALA 164 CO 0.00 0.58 -0.04 0.28 0.00 0.00 0.00 179.25 180.07 3ij5 h VAL 165 N 0.52 1.28 -0.77 0.00 2.07 -1.90 -2.72 116.25 114.73 3ij5 h VAL 165 Ca 0.08 -1.01 0.09 0.00 0.82 0.00 0.00 66.70 66.68 3ij5 h VAL 165 Cb 0.67 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 3ij5 h VAL 165 CO 0.05 0.31 0.42 -0.09 0.02 0.00 0.00 177.57 178.28 3ij5 h ARG 166 N 0.18 0.68 -0.54 1.57 1.12 -1.79 0.90 114.38 116.51 3ij5 h ARG 166 Ca 0.06 -0.04 0.05 0.00 -1.11 0.00 0.00 59.98 58.94 3ij5 h ARG 166 Cb 0.49 -0.15 -0.05 0.00 -0.01 0.00 0.00 29.97 30.25 3ij5 h ARG 166 CO 0.02 0.45 0.28 1.49 -3.11 0.00 0.00 179.97 179.10 3ij5 h GLU 167 N 0.70 0.52 -0.35 0.20 4.81 -1.21 0.33 114.58 119.59 3ij5 h GLU 167 Ca 0.37 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 3ij5 h GLU 167 Cb 0.35 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3ij5 h GLU 167 CO -0.25 0.35 -0.24 0.28 -0.73 0.00 0.00 179.01 178.41 3ij5 h VAL 168 N 0.54 1.29 -0.47 0.32 2.07 -1.06 -1.26 116.25 117.67 3ij5 h VAL 168 Ca 0.24 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.42 3ij5 h VAL 168 Cb 0.14 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3ij5 h VAL 168 CO -0.16 0.46 0.21 0.00 0.02 0.00 0.00 177.57 178.09 3ij5 h ASP 170 N 0.41 0.58 -0.08 0.00 3.32 -0.26 -1.99 116.42 118.40 3ij5 h ASP 170 Ca 0.22 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3ij5 h ASP 170 Cb 0.17 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ij5 h ASP 170 CO -0.18 0.42 0.05 0.25 -1.72 0.00 0.00 179.24 178.06 3ij5 h LEU 171 N 0.68 0.10 -0.50 1.55 5.85 -0.83 0.96 115.31 123.12 3ij5 h LEU 171 Ca 0.18 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3ij5 h LEU 171 Cb -0.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3ij5 h LEU 171 CO -0.04 0.11 0.30 0.40 -0.34 0.00 0.00 178.44 178.87 3ij5 h ILE 172 N 0.08 1.06 -0.48 4.05 2.04 -0.95 -0.53 117.51 122.77 3ij5 h ILE 172 Ca 0.03 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 3ij5 h ILE 172 Cb 0.03 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3ij5 h ILE 172 CO -0.01 0.11 -0.14 -0.07 0.00 0.00 0.00 178.15 178.04 3ij5 h LEU 173 N 0.60 0.92 -0.35 1.44 3.38 -1.20 -1.98 115.31 118.13 3ij5 h LEU 173 Ca 0.20 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ij5 h LEU 173 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3ij5 h LEU 173 CO -0.08 1.06 0.20 0.25 0.09 0.00 0.00 178.44 179.96 3ij5 h LEU 174 N 0.81 0.43 -1.73 1.67 5.85 -0.55 0.39 115.31 122.17 3ij5 h LEU 174 Ca 0.12 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3ij5 h LEU 174 Cb 0.68 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3ij5 h LEU 174 CO 0.05 0.38 0.03 0.00 -0.34 0.00 0.00 178.44 178.55 3ij5 h ALA 175 N 1.07 1.79 -0.64 1.25 0.00 -0.87 -1.86 119.26 119.99 3ij5 h ALA 175 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ij5 h ALA 175 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ij5 h ALA 175 CO -0.02 0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.44 3ij5 n GLN 176 N -4.45 4.05 -3.92 0.00 6.02 -0.76 -4.58 117.38 113.73 3ij5 n GLN 176 Ca -0.01 -2.98 -0.30 0.00 -0.01 0.00 0.00 57.00 53.71 3ij5 n GLN 176 Cb 0.13 -1.99 0.02 0.00 1.02 0.00 0.00 30.24 29.42 3ij5 n GLN 176 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ij5 n ASP 177 N 1.03 -4.28 0.00 1.08 8.00 -0.70 -4.87 116.55 116.81 3ij5 n ASP 177 Ca 0.27 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.96 3ij5 n ASP 177 Cb 0.97 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 3ij5 n ASP 177 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ij5 n LYS 178 N -4.62 0.57 -0.05 -1.24 5.02 0.13 -4.81 118.16 113.15 3ij5 n LYS 178 Ca 0.01 -0.89 -0.15 0.00 -2.02 0.00 0.00 58.31 55.27 3ij5 n LYS 178 Cb 0.54 -0.99 -0.07 0.00 -0.02 0.00 0.00 35.03 34.48 3ij5 n LYS 178 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3ij5 h LEU 179 N 0.00 0.56 -0.99 -0.35 5.85 -1.78 -2.34 115.31 116.25 3ij5 h LEU 179 Ca 0.00 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 3ij5 h LEU 179 Cb 0.20 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3ij5 h LEU 179 CO 0.00 1.03 0.52 -0.33 -0.34 0.00 0.00 178.44 179.31 3ij5 h GLU 180 N 0.12 1.22 0.00 1.25 5.08 -1.90 -3.20 114.58 117.14 3ij5 h GLU 180 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3ij5 h GLU 180 Cb 0.95 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3ij5 h GLU 180 CO 0.07 0.86 -0.97 0.41 -1.00 0.00 0.00 179.01 178.39 3ij5 n GLY 181 N -1.22 -1.24 3.75 -3.84 0.00 -1.24 -4.99 105.19 96.41 3ij5 n GLY 181 Ca 0.10 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3ij5 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij5 s ALA 182 N -3.20 2.73 0.03 4.61 0.00 -0.88 -5.05 121.76 120.01 3ij5 s ALA 182 Ca 0.04 1.27 -0.00 0.00 0.00 0.00 0.00 51.96 53.26 3ij5 s ALA 182 Cb 0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3ij5 s ALA 182 CO 0.79 -1.35 -0.03 0.95 0.00 0.00 0.00 175.76 176.11 3ij5 s THR 183 N -1.35 0.17 -0.47 0.00 -4.23 -1.26 -5.04 115.64 103.46 3ij5 s THR 183 Ca 0.73 -1.28 0.09 0.00 -1.18 0.00 0.00 61.69 60.05 3ij5 s THR 183 Cb -0.38 -0.78 0.34 0.00 1.34 0.00 0.00 72.50 73.01 3ij5 s THR 183 CO 0.44 -0.70 0.81 0.61 -0.54 0.00 0.00 174.62 175.25 3ij5 n GLY 184 N 1.00 4.47 3.85 3.99 0.00 -1.26 -3.75 105.19 113.48 3ij5 n GLY 184 Ca -0.20 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.31 3ij5 n GLY 184 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ij5 s LEU 185 N -2.80 3.82 0.81 0.99 0.20 -1.26 -4.82 118.68 115.62 3ij5 s LEU 185 Ca 0.43 1.39 -0.11 0.00 0.69 0.00 0.00 54.13 56.53 3ij5 s LEU 185 Cb 0.30 -4.27 0.08 0.00 -0.43 0.00 0.00 46.19 41.87 3ij5 s LEU 185 CO -0.10 -0.42 1.09 -0.44 -0.29 0.00 0.00 176.35 176.19 3ij5 s SER 186 N -2.82 4.25 0.00 3.68 0.01 -1.26 -4.96 113.70 112.60 3ij5 s SER 186 Ca 0.56 1.50 0.00 0.00 1.31 0.00 0.00 55.95 59.32 3ij5 s SER 186 Cb -0.10 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.90 3ij5 s SER 186 CO 0.26 -2.15 0.45 2.30 0.41 0.00 0.00 173.24 174.51