#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie5 n LYS 2 N 0.00 1.53 -1.40 1.61 4.76 -1.26 -4.55 118.16 118.84 1ie5 n LYS 2 Ca 0.00 -1.11 -0.32 0.00 -2.87 0.00 0.00 58.31 54.02 1ie5 n LYS 2 Cb 0.00 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 31.70 1ie5 n LYS 2 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ie5 n ASP 3 N 0.36 7.60 -4.74 4.39 5.75 -1.26 -3.17 116.55 125.49 1ie5 n ASP 3 Ca 0.22 -2.73 -0.31 0.00 -0.01 0.00 0.00 54.79 51.96 1ie5 n ASP 3 Cb 0.70 -1.45 0.12 0.00 -1.03 0.00 0.00 41.12 39.45 1ie5 n ASP 3 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ie5 s ILE 4 N 0.78 2.96 0.00 2.12 -1.09 -1.26 -4.91 121.20 119.80 1ie5 s ILE 4 Ca 0.65 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 1ie5 s ILE 4 Cb 0.23 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 1ie5 s ILE 4 CO -0.07 -0.41 0.98 0.00 -1.23 0.00 0.00 174.94 174.22 1ie5 n GLN 5 N -3.75 0.80 -3.59 2.79 3.00 -1.26 -4.70 117.38 110.67 1ie5 n GLN 5 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.96 1ie5 n GLN 5 Cb 0.53 -1.10 -0.05 0.00 0.00 0.00 0.00 30.24 29.63 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ie5 s VAL 6 N 0.25 0.05 -0.51 5.09 1.01 -1.26 -5.11 120.40 119.91 1ie5 s VAL 6 Ca 0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 1ie5 s VAL 6 Cb 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1ie5 s VAL 6 CO 0.00 -0.22 1.88 -0.63 0.00 0.00 0.00 175.10 176.13 1ie5 s ILE 7 N -3.28 3.38 0.00 2.22 1.01 -1.26 -4.52 121.20 118.74 1ie5 s ILE 7 Ca -0.00 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1ie5 s ILE 7 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1ie5 s ILE 7 CO -0.08 -0.68 0.00 0.52 0.00 0.00 0.00 174.94 174.70 1ie5 n VAL 8 N 7.34 0.00 -1.95 2.92 0.31 -1.26 -5.09 118.33 120.59 1ie5 n VAL 8 Ca 0.22 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.24 1ie5 n VAL 8 Cb 0.51 -0.13 0.01 0.00 -0.91 0.00 0.00 33.84 33.31 1ie5 n VAL 8 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ie5 s ASN 9 N -3.40 5.97 -0.16 4.52 6.03 -1.19 -4.94 114.94 121.78 1ie5 s ASN 9 Ca 0.00 1.61 -0.01 0.00 -1.03 0.00 0.00 52.86 53.42 1ie5 s ASN 9 Cb 0.00 -2.50 0.05 0.00 -3.03 0.00 0.00 41.25 35.76 1ie5 s ASN 9 CO 0.00 -1.04 -0.01 -0.69 -2.03 0.00 0.00 177.10 173.33 1ie5 s VAL 10 N -2.84 0.78 0.51 3.54 1.01 -0.10 -4.97 120.40 118.33 1ie5 s VAL 10 Ca 0.59 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1ie5 s VAL 10 Cb -0.13 -1.07 -0.11 0.00 0.00 0.00 0.00 36.38 35.07 1ie5 s VAL 10 CO 0.45 0.03 0.36 -2.65 0.00 0.00 0.00 175.10 173.29 1ie5 n PRO 11 N 4.98 0.39 -1.71 2.72 -0.02 -1.26 -1.74 135.00 138.35 1ie5 n PRO 11 Ca -0.10 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.22 1ie5 n PRO 11 Cb 0.48 -1.46 0.03 0.00 -0.02 0.00 0.00 33.50 32.53 1ie5 n PRO 11 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ie5 s PRO 12 N -1.66 3.24 -0.35 0.52 0.04 -1.26 -4.58 135.00 130.94 1ie5 s PRO 12 Ca 0.64 0.87 0.14 0.00 0.04 0.00 0.00 61.00 62.69 1ie5 s PRO 12 Cb -0.50 -2.03 0.43 0.00 0.04 0.00 0.00 34.50 32.43 1ie5 s PRO 12 CO 0.58 -0.86 1.21 -1.13 0.04 0.00 0.00 177.00 176.84 1ie5 n SER 13 N -2.93 -0.32 -4.77 6.66 3.41 -0.99 -4.38 113.62 110.29 1ie5 n SER 13 Ca 0.07 -2.49 -0.40 0.00 -0.26 0.00 0.00 58.87 55.79 1ie5 n SER 13 Cb 0.54 0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.78 1ie5 n SER 13 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ie5 s VAL 14 N -1.39 2.20 0.42 -3.33 0.11 -1.26 -4.64 120.40 112.52 1ie5 s VAL 14 Ca 0.23 0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.49 1ie5 s VAL 14 Cb 0.42 -3.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.14 1ie5 s VAL 14 CO -0.04 0.03 0.09 -0.13 -3.33 0.00 0.00 175.10 171.72 1ie5 s ARG 15 N -2.38 1.96 -0.22 1.54 3.00 -0.07 -4.41 118.95 118.37 1ie5 s ARG 15 Ca 0.60 -2.20 -0.13 0.00 0.00 0.00 0.00 55.73 53.99 1ie5 s ARG 15 Cb -0.43 -0.86 -0.04 0.00 0.00 0.00 0.00 34.95 33.62 1ie5 s ARG 15 CO 0.55 -0.41 0.29 0.00 0.00 0.00 0.00 175.30 175.72 1ie5 s ALA 16 N -3.13 3.58 0.16 2.13 0.00 -1.26 -1.17 121.76 122.07 1ie5 s ALA 16 Ca 0.21 -0.70 0.12 0.00 0.00 0.00 0.00 51.96 51.60 1ie5 s ALA 16 Cb 0.03 -2.50 0.27 0.00 0.00 0.00 0.00 23.12 20.92 1ie5 s ALA 16 CO 0.12 -0.26 1.54 -0.09 0.00 0.00 0.00 175.76 177.07 1ie5 h ARG 17 N 7.46 0.00 -2.55 0.00 2.43 -1.72 -3.45 114.38 116.55 1ie5 h ARG 17 Ca -0.37 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.70 1ie5 h ARG 17 Cb 1.17 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.49 1ie5 h ARG 17 CO 0.69 0.63 -0.14 -1.14 -1.51 0.00 0.00 179.97 178.50 1ie5 s GLN 18 N -3.32 0.59 0.38 0.20 0.74 -1.26 -5.05 119.66 111.95 1ie5 s GLN 18 Ca 0.00 0.64 0.21 0.00 0.05 0.00 0.00 55.36 56.26 1ie5 s GLN 18 Cb 0.11 0.29 0.25 0.00 1.10 0.00 0.00 33.01 34.75 1ie5 s GLN 18 CO 0.75 -0.08 1.52 0.77 -0.55 0.00 0.00 175.29 177.70 1ie5 h SER 19 N 5.24 0.00 -3.08 6.67 0.02 -1.87 -3.44 113.55 117.09 1ie5 h SER 19 Ca -0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1ie5 h SER 19 Cb 1.17 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.50 1ie5 h SER 19 CO 0.21 0.12 -0.02 -0.89 -1.14 0.00 0.00 176.83 175.11 1ie5 s THR 20 N -3.16 -0.00 0.28 -2.27 2.01 -1.26 -2.28 115.64 108.96 1ie5 s THR 20 Ca 0.06 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.16 1ie5 s THR 20 Cb 0.06 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1ie5 s THR 20 CO 0.70 0.01 0.03 -0.04 -0.69 0.00 0.00 174.62 174.63 1ie5 s MET 21 N 1.54 2.35 0.09 4.92 1.00 0.14 -4.96 119.30 124.39 1ie5 s MET 21 Ca -0.09 -1.42 0.04 0.00 0.00 0.00 0.00 55.69 54.21 1ie5 s MET 21 Cb -0.05 -2.19 -0.03 0.00 0.00 0.00 0.00 34.83 32.56 1ie5 s MET 21 CO -0.18 0.32 -0.10 -0.80 0.00 0.00 0.00 175.02 174.26 1ie5 s ASN 22 N -3.71 1.46 0.04 3.03 0.01 -1.26 -1.32 114.94 113.19 1ie5 s ASN 22 Ca 0.33 -0.78 -0.27 0.00 -0.71 0.00 0.00 52.86 51.43 1ie5 s ASN 22 Cb -0.06 0.00 0.07 0.00 0.41 0.00 0.00 41.25 41.67 1ie5 s ASN 22 CO 0.21 -0.24 0.63 0.00 -1.51 0.00 0.00 177.10 176.19 1ie5 s ALA 23 N -2.25 -1.65 -0.22 0.60 0.00 -0.86 -4.95 121.76 112.42 1ie5 s ALA 23 Ca 0.04 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 1ie5 s ALA 23 Cb -0.04 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 1ie5 s ALA 23 CO 0.00 -0.54 0.25 0.99 0.00 0.00 0.00 175.76 176.46 1ie5 s THR 24 N -2.34 5.30 0.70 0.00 2.01 -1.26 -1.19 115.64 118.86 1ie5 s THR 24 Ca -0.06 0.38 -0.06 0.00 0.31 0.00 0.00 61.69 62.26 1ie5 s THR 24 Cb -0.00 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.98 1ie5 s THR 24 CO -0.00 0.32 1.01 0.00 -0.69 0.00 0.00 174.62 175.26 1ie5 s ALA 25 N 1.07 3.18 0.00 7.40 0.00 0.26 -4.52 121.76 129.15 1ie5 s ALA 25 Ca 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1ie5 s ALA 25 Cb -0.14 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1ie5 s ALA 25 CO 0.05 -1.29 0.00 0.09 0.00 0.00 0.00 175.76 174.61 1ie5 n ASN 26 N -2.91 0.00 0.00 0.00 5.03 -1.25 -4.45 115.26 111.68 1ie5 n ASN 26 Ca 0.08 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.64 1ie5 n ASN 26 Cb 0.60 -0.93 0.12 0.00 -1.02 0.00 0.00 39.78 38.56 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ie5 n LEU 27 N 0.00 0.66 -2.69 3.41 4.77 -1.26 -4.98 117.00 116.91 1ie5 n LEU 27 Ca 0.00 -0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 55.65 1ie5 n LEU 27 Cb 0.00 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1ie5 n LEU 27 CO 0.00 0.16 -0.13 -1.20 -1.33 0.00 0.00 177.39 174.88 1ie5 n SER 28 N -1.54 -4.65 -4.25 -1.43 7.64 -1.25 -4.99 113.62 103.16 1ie5 n SER 28 Ca 0.05 -0.03 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 1ie5 n SER 28 Cb 0.34 -3.87 0.18 0.00 -1.01 0.00 0.00 64.21 59.85 1ie5 n SER 28 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ie5 s GLN 29 N -5.31 0.41 0.09 1.43 0.74 -1.26 -3.82 119.66 111.93 1ie5 s GLN 29 Ca 0.12 -0.15 0.09 0.00 0.05 0.00 0.00 55.36 55.47 1ie5 s GLN 29 Cb -0.06 -1.79 -0.03 0.00 1.10 0.00 0.00 33.01 32.22 1ie5 s GLN 29 CO 0.15 -2.61 -0.25 -1.54 -0.55 0.00 0.00 175.29 170.49 1ie5 s SER 30 N -4.47 3.02 -0.08 6.67 1.04 -1.26 -0.77 113.70 117.86 1ie5 s SER 30 Ca 0.70 -0.66 -0.06 0.00 0.48 0.00 0.00 55.95 56.42 1ie5 s SER 30 Cb -0.08 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.84 1ie5 s SER 30 CO 0.53 0.18 0.20 -0.69 0.98 0.00 0.00 173.24 174.44 1ie5 s VAL 31 N -0.96 -0.02 0.03 5.02 1.01 0.24 -5.00 120.40 120.73 1ie5 s VAL 31 Ca 0.11 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1ie5 s VAL 31 Cb -0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1ie5 s VAL 31 CO 0.04 0.03 0.03 -0.89 0.00 0.00 0.00 175.10 174.31 1ie5 s THR 32 N 0.58 4.30 0.28 3.92 2.01 -1.26 -0.77 115.64 124.69 1ie5 s THR 32 Ca -0.04 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.14 1ie5 s THR 32 Cb -0.05 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.49 1ie5 s THR 32 CO -0.03 0.28 0.58 -1.48 -0.69 0.00 0.00 174.62 173.28 1ie5 s LEU 33 N -1.88 0.14 -0.25 4.42 0.05 -0.85 -5.01 118.68 115.30 1ie5 s LEU 33 Ca 0.23 -0.88 -0.25 0.00 0.05 0.00 0.00 54.13 53.28 1ie5 s LEU 33 Cb -0.12 2.16 0.08 0.00 -2.05 0.00 0.00 46.19 46.26 1ie5 s LEU 33 CO 0.14 -1.27 0.76 0.00 -0.55 0.00 0.00 176.35 175.44 1ie5 s ALA 34 N -3.79 -1.81 -0.39 1.48 0.00 -1.26 -0.90 121.76 115.10 1ie5 s ALA 34 Ca 0.19 1.95 -0.01 0.00 0.00 0.00 0.00 51.96 54.09 1ie5 s ALA 34 Cb -0.03 -1.13 0.11 0.00 0.00 0.00 0.00 23.12 22.07 1ie5 s ALA 34 CO 0.09 -0.33 0.16 0.00 0.00 0.00 0.00 175.76 175.68 1ie5 s ASP 36 N 1.51 6.60 0.17 0.00 -4.77 -0.31 -4.34 116.67 115.53 1ie5 s ASP 36 Ca 0.09 0.49 0.07 0.00 -3.30 0.00 0.00 52.55 49.90 1ie5 s ASP 36 Cb -0.22 -2.40 -0.04 0.00 -1.09 0.00 0.00 42.92 39.17 1ie5 s ASP 36 CO -0.05 -0.68 -0.01 0.00 0.70 0.00 0.00 175.17 175.12 1ie5 s ALA 37 N 3.05 3.19 0.12 2.11 0.00 -1.26 -0.90 121.76 128.07 1ie5 s ALA 37 Ca 0.32 -1.36 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 1ie5 s ALA 37 Cb -0.14 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1ie5 s ALA 37 CO 0.15 0.49 0.20 -0.51 0.00 0.00 0.00 175.76 176.09 1ie5 s ASP 38 N -2.90 0.14 0.00 0.00 1.01 -1.26 -4.87 116.67 108.79 1ie5 s ASP 38 Ca 0.27 -0.82 0.00 0.00 0.71 0.00 0.00 52.55 52.71 1ie5 s ASP 38 Cb -0.09 0.36 0.00 0.00 1.01 0.00 0.00 42.92 44.20 1ie5 s ASP 38 CO 0.18 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.39 1ie5 n GLY 39 N -0.11 -1.52 3.41 0.21 0.00 -1.26 -2.36 105.19 103.56 1ie5 n GLY 39 Ca -0.11 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1ie5 n GLY 39 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ie5 s PHE 40 N -2.79 -0.89 0.68 1.61 5.36 -0.71 -4.33 117.98 116.91 1ie5 s PHE 40 Ca 0.00 1.71 -0.12 0.00 -0.96 0.00 0.00 56.93 57.57 1ie5 s PHE 40 Cb 0.00 0.45 0.00 0.00 -0.34 0.00 0.00 43.02 43.13 1ie5 s PHE 40 CO 0.00 -0.48 1.06 -1.25 -1.46 0.00 0.00 175.22 173.09 1ie5 s PRO 41 N 2.09 2.95 0.00 10.12 0.04 -1.26 -0.92 135.00 148.02 1ie5 s PRO 41 Ca -0.07 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1ie5 s PRO 41 Cb -0.09 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1ie5 s PRO 41 CO -0.15 -1.09 0.00 -0.85 0.04 0.00 0.00 177.00 174.95 1ie5 n GLU 42 N -2.93 0.00 -0.69 4.56 0.28 -1.26 -4.81 120.64 115.78 1ie5 n GLU 42 Ca 0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.76 1ie5 n GLU 42 Cb 0.53 0.00 0.16 0.00 1.43 0.00 0.00 31.44 33.57 1ie5 n GLU 42 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1ie5 n PRO 43 N 0.00 -0.82 -3.09 3.44 -0.02 -1.26 -4.96 135.00 128.29 1ie5 n PRO 43 Ca 0.00 -0.19 -0.45 0.00 -2.02 0.00 0.00 63.50 60.84 1ie5 n PRO 43 Cb 0.00 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1ie5 n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ie5 s THR 44 N -2.47 5.01 0.04 3.45 2.01 0.38 -4.93 115.64 119.13 1ie5 s THR 44 Ca 0.62 -1.69 0.07 0.00 0.31 0.00 0.00 61.69 61.00 1ie5 s THR 44 Cb -0.21 -4.62 -0.03 0.00 0.01 0.00 0.00 72.50 67.64 1ie5 s THR 44 CO 0.64 -1.28 -0.17 0.00 -0.69 0.00 0.00 174.62 173.12 1ie5 s MET 45 N 1.96 2.12 0.13 4.92 0.23 -1.26 -0.77 119.30 126.63 1ie5 s MET 45 Ca 0.23 -0.96 -0.17 0.00 -1.03 0.00 0.00 55.69 53.77 1ie5 s MET 45 Cb -0.11 -2.22 0.04 0.00 -1.53 0.00 0.00 34.83 31.01 1ie5 s MET 45 CO -0.05 0.55 0.42 0.95 -2.03 0.00 0.00 175.02 174.85 1ie5 s THR 46 N -0.93 0.06 0.10 3.16 -4.23 -0.46 -4.95 115.64 108.40 1ie5 s THR 46 Ca 0.15 -0.54 -0.25 0.00 -1.18 0.00 0.00 61.69 59.87 1ie5 s THR 46 Cb -0.11 -1.16 0.07 0.00 1.34 0.00 0.00 72.50 72.64 1ie5 s THR 46 CO 0.06 -0.29 0.62 -1.66 -0.54 0.00 0.00 174.62 172.81 1ie5 s TRP 47 N -3.80 -0.57 0.29 3.99 1.48 -1.26 -1.13 118.94 117.93 1ie5 s TRP 47 Ca 0.03 0.54 0.11 0.00 -1.06 0.00 0.00 56.10 55.71 1ie5 s TRP 47 Cb 0.02 0.52 -0.05 0.00 -1.16 0.00 0.00 33.47 32.80 1ie5 s TRP 47 CO -0.12 -0.78 -0.11 0.95 -4.06 0.00 0.00 176.95 172.83 1ie5 s THR 48 N -3.08 2.80 -0.93 0.66 -4.23 -0.91 -0.32 115.64 109.62 1ie5 s THR 48 Ca -0.02 -2.19 -0.02 0.00 -1.18 0.00 0.00 61.69 58.28 1ie5 s THR 48 Cb -0.01 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.55 1ie5 s THR 48 CO -0.07 -0.36 1.05 1.17 -0.54 0.00 0.00 174.62 175.87 1ie5 n LYS 49 N -0.76 3.34 0.00 3.99 4.81 0.78 -3.91 118.16 126.42 1ie5 n LYS 49 Ca -0.05 -4.55 0.00 0.00 -0.87 0.00 0.00 58.31 52.84 1ie5 n LYS 49 Cb 0.60 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.22 1ie5 n LYS 49 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ie5 n ASP 50 N 1.69 0.00 0.00 3.14 2.03 0.01 -3.66 116.55 119.76 1ie5 n ASP 50 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1ie5 n ASP 50 Cb 0.37 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1ie5 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ie5 n GLY 51 N -1.62 0.09 3.88 0.27 0.00 -1.26 -5.00 105.19 101.54 1ie5 n GLY 51 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ie5 n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ie5 s GLU 52 N 0.00 3.77 0.37 1.61 -1.05 -1.24 -4.98 118.70 117.18 1ie5 s GLU 52 Ca 0.00 0.35 -0.17 0.00 -0.15 0.00 0.00 54.97 55.00 1ie5 s GLU 52 Cb 0.00 -2.50 -0.10 0.00 -0.44 0.00 0.00 34.13 31.10 1ie5 s GLU 52 CO 0.00 0.10 0.82 -1.25 0.95 0.00 0.00 175.26 175.88 1ie5 s PRO 53 N -3.51 4.07 -0.29 -4.83 0.04 -1.26 -0.15 135.00 129.07 1ie5 s PRO 53 Ca 0.49 0.83 0.08 0.00 0.04 0.00 0.00 61.00 62.44 1ie5 s PRO 53 Cb -0.10 -2.33 0.45 0.00 0.04 0.00 0.00 34.50 32.55 1ie5 s PRO 53 CO 0.28 0.08 1.27 -0.89 0.04 0.00 0.00 177.00 177.77 1ie5 n ILE 54 N -0.52 2.50 -2.68 0.56 5.41 0.56 -4.81 119.36 120.38 1ie5 n ILE 54 Ca 0.05 -3.73 -0.43 0.00 1.00 0.00 0.00 62.75 59.64 1ie5 n ILE 54 Cb 0.53 -0.80 -0.02 0.00 -0.71 0.00 0.00 39.64 38.64 1ie5 n ILE 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ie5 s GLU 55 N -3.48 4.01 0.00 0.38 -1.05 -1.26 -4.70 118.70 112.61 1ie5 s GLU 55 Ca 0.47 0.95 0.07 0.00 -0.15 0.00 0.00 54.97 56.31 1ie5 s GLU 55 Cb 0.40 -3.75 0.37 0.00 -0.44 0.00 0.00 34.13 30.71 1ie5 s GLU 55 CO 0.00 -0.92 1.06 1.04 0.95 0.00 0.00 175.26 177.39 1ie5 n GLN 56 N 6.86 0.12 -0.25 -4.83 1.13 -1.26 -1.29 117.38 117.87 1ie5 n GLN 56 Ca 0.11 0.18 0.24 0.00 -1.94 0.00 0.00 57.00 55.59 1ie5 n GLN 56 Cb 0.47 -1.50 0.60 0.00 0.11 0.00 0.00 30.24 29.92 1ie5 n GLN 56 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1ie5 h GLU 57 N 0.00 0.23 0.00 -1.09 4.39 -1.98 -3.38 114.58 112.74 1ie5 h GLU 57 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ie5 h GLU 57 Cb 0.06 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ie5 h GLU 57 CO 0.00 0.15 0.00 -3.47 -1.16 0.00 0.00 179.01 174.53 1ie5 n ASP 58 N -4.43 0.00 -4.43 1.42 2.03 -1.09 -5.06 116.55 104.98 1ie5 n ASP 58 Ca 0.21 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 55.08 1ie5 n ASP 58 Cb 0.87 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.23 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1ie5 s ASN 59 N 0.00 6.24 0.00 1.67 0.01 -0.41 -4.76 114.94 117.69 1ie5 s ASN 59 Ca 0.00 -1.25 0.00 0.00 -0.71 0.00 0.00 52.86 50.90 1ie5 s ASN 59 Cb 0.00 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.27 1ie5 s ASN 59 CO 0.00 -1.31 0.21 -0.62 -1.51 0.00 0.00 177.10 173.87 1ie5 n GLU 60 N 7.21 0.03 -0.18 -0.60 1.02 -1.26 -4.11 120.64 122.74 1ie5 n GLU 60 Ca -0.01 -0.23 0.09 0.00 -0.02 0.00 0.00 57.16 56.99 1ie5 n GLU 60 Cb 0.45 -0.53 0.18 0.00 -0.02 0.00 0.00 31.44 31.52 1ie5 n GLU 60 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ie5 n GLU 61 N -0.01 -0.04 -2.69 3.49 -0.58 -1.26 -2.69 120.64 116.85 1ie5 n GLU 61 Ca 0.00 0.80 -0.06 0.00 -0.42 0.00 0.00 57.16 57.48 1ie5 n GLU 61 Cb 0.32 -1.29 0.12 0.00 -0.57 0.00 0.00 31.44 30.03 1ie5 n GLU 61 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ie5 n LYS 62 N -4.59 1.25 -3.58 3.49 2.85 -1.26 -5.11 118.16 111.21 1ie5 n LYS 62 Ca 0.14 -1.66 -0.12 0.00 -1.05 0.00 0.00 58.31 55.62 1ie5 n LYS 62 Cb 0.45 0.08 -0.06 0.00 -0.65 0.00 0.00 35.03 34.86 1ie5 n LYS 62 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 1ie5 s TYR 63 N 0.17 -0.45 0.02 5.58 -0.85 -1.10 -1.21 117.35 119.50 1ie5 s TYR 63 Ca 0.18 0.84 -0.28 0.00 -0.52 0.00 0.00 57.07 57.30 1ie5 s TYR 63 Cb 0.41 0.42 0.10 0.00 0.38 0.00 0.00 41.96 43.27 1ie5 s TYR 63 CO -0.10 -0.38 0.84 -1.54 -1.52 0.00 0.00 175.55 172.85 1ie5 s SER 64 N -0.89 -0.41 0.25 -0.18 1.04 -0.96 -4.56 113.70 107.99 1ie5 s SER 64 Ca -0.03 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.47 1ie5 s SER 64 Cb -0.01 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 1ie5 s SER 64 CO 0.02 -0.67 0.14 2.22 0.98 0.00 0.00 173.24 175.93 1ie5 n PHE 65 N -0.21 -0.20 -1.69 5.02 1.16 -1.26 -0.98 117.46 119.30 1ie5 n PHE 65 Ca -0.10 -1.82 -0.10 0.00 -1.87 0.00 0.00 57.45 53.55 1ie5 n PHE 65 Cb 0.62 0.09 0.06 0.00 -1.61 0.00 0.00 39.48 38.65 1ie5 n PHE 65 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1ie5 n ASN 66 N -1.90 0.19 0.26 5.98 0.23 -1.24 -4.95 115.26 113.83 1ie5 n ASN 66 Ca 0.00 -1.26 0.16 0.00 -0.53 0.00 0.00 54.58 52.96 1ie5 n ASN 66 Cb 0.41 -0.33 0.54 0.00 -2.08 0.00 0.00 39.78 38.32 1ie5 n ASN 66 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1ie5 h TYR 67 N -1.01 0.00 -0.01 -2.53 3.20 -2.02 -2.70 116.97 111.90 1ie5 h TYR 67 Ca -0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1ie5 h TYR 67 Cb 0.44 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1ie5 h TYR 67 CO 0.00 0.00 -0.22 -0.25 -1.64 0.00 0.00 178.16 176.05 1ie5 n ASP 68 N -3.09 1.07 -0.40 -2.11 8.00 -1.26 -4.95 116.55 113.81 1ie5 n ASP 68 Ca 0.02 -0.96 -0.05 0.00 0.71 0.00 0.00 54.79 54.51 1ie5 n ASP 68 Cb 0.37 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1ie5 n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ie5 n GLY 69 N 1.32 0.75 0.06 0.44 0.00 -1.02 -4.35 105.19 102.39 1ie5 n GLY 69 Ca 0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 1ie5 n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ie5 n SER 70 N 0.21 1.47 -4.57 1.61 3.41 -1.26 -4.82 113.62 109.68 1ie5 n SER 70 Ca -0.05 0.39 -0.39 0.00 -0.26 0.00 0.00 58.87 58.57 1ie5 n SER 70 Cb 0.25 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 63.44 1ie5 n SER 70 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ie5 s GLU 71 N -2.26 3.50 -0.30 4.33 2.02 -1.26 -3.36 118.70 121.36 1ie5 s GLU 71 Ca -0.18 -1.41 -0.29 0.00 0.02 0.00 0.00 54.97 53.11 1ie5 s GLU 71 Cb 0.02 -5.39 0.02 0.00 0.10 0.00 0.00 34.13 28.88 1ie5 s GLU 71 CO 0.26 -2.61 1.08 -1.17 0.02 0.00 0.00 175.26 172.85 1ie5 s LEU 72 N 6.06 3.96 -0.22 1.80 2.96 -0.08 -3.71 118.68 129.45 1ie5 s LEU 72 Ca 0.55 1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 55.46 1ie5 s LEU 72 Cb 0.01 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1ie5 s LEU 72 CO 0.02 -0.86 0.22 -0.63 -1.32 0.00 0.00 176.35 173.78 1ie5 s ILE 73 N 3.61 5.33 -0.16 6.68 1.01 -0.15 -2.02 121.20 135.51 1ie5 s ILE 73 Ca 0.46 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.41 1ie5 s ILE 73 Cb -0.13 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1ie5 s ILE 73 CO 0.14 0.34 -0.08 -0.63 0.00 0.00 0.00 174.94 174.72 1ie5 s ILE 74 N 0.96 3.44 0.21 2.92 1.01 0.05 -2.28 121.20 127.50 1ie5 s ILE 74 Ca 0.11 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.30 1ie5 s ILE 74 Cb -0.13 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1ie5 s ILE 74 CO 0.04 0.49 0.22 -1.59 0.00 0.00 0.00 174.94 174.10 1ie5 s LYS 75 N 0.57 3.06 -0.95 2.79 -2.85 -0.35 -0.59 119.74 121.42 1ie5 s LYS 75 Ca -0.05 -0.90 -0.01 0.00 -1.00 0.00 0.00 55.97 54.00 1ie5 s LYS 75 Cb -0.15 -2.69 -0.02 0.00 -2.06 0.00 0.00 37.83 32.92 1ie5 s LYS 75 CO 0.03 0.44 0.80 1.63 0.10 0.00 0.00 175.35 178.35 1ie5 n LYS 76 N -0.90 -4.38 -2.28 1.78 5.02 -0.46 -4.87 118.16 112.07 1ie5 n LYS 76 Ca -0.08 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.50 1ie5 n LYS 76 Cb 0.56 -5.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.34 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ie5 s VAL 77 N -3.30 3.29 0.26 -0.18 1.01 0.05 -4.83 120.40 116.69 1ie5 s VAL 77 Ca 0.11 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 1ie5 s VAL 77 Cb -0.01 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1ie5 s VAL 77 CO 0.60 0.20 0.40 -0.67 0.00 0.00 0.00 175.10 175.63 1ie5 n ASP 78 N 2.17 -1.13 0.26 3.32 -0.08 -1.26 -3.89 116.55 115.94 1ie5 n ASP 78 Ca 0.04 -2.30 0.18 0.00 -1.51 0.00 0.00 54.79 51.20 1ie5 n ASP 78 Cb 0.43 2.03 0.90 0.00 2.34 0.00 0.00 41.12 46.82 1ie5 n ASP 78 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ie5 h LYS 79 N 0.00 0.00 0.00 -0.67 1.79 -1.94 -0.96 116.57 114.80 1ie5 h LYS 79 Ca -0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1ie5 h LYS 79 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1ie5 h LYS 79 CO 0.27 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.51 1ie5 n SER 80 N -3.38 0.32 -0.43 0.86 3.41 -1.26 -3.10 113.62 110.03 1ie5 n SER 80 Ca 0.00 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 1ie5 n SER 80 Cb 0.32 -0.64 0.48 0.00 -0.26 0.00 0.00 64.21 64.11 1ie5 n SER 80 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ie5 n ASP 81 N -1.84 1.41 -4.74 4.04 8.00 -0.36 -4.91 116.55 118.14 1ie5 n ASP 81 Ca 0.03 -1.36 -0.41 0.00 0.71 0.00 0.00 54.79 53.76 1ie5 n ASP 81 Cb 0.23 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1ie5 n ASP 81 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1ie5 s GLU 82 N -2.12 4.20 0.15 -1.24 2.12 -1.18 -4.94 118.70 115.68 1ie5 s GLU 82 Ca 0.34 2.43 -0.24 0.00 0.36 0.00 0.00 54.97 57.87 1ie5 s GLU 82 Cb 0.21 -3.08 0.07 0.00 0.26 0.00 0.00 34.13 31.59 1ie5 s GLU 82 CO 0.38 -0.54 0.69 0.00 -0.54 0.00 0.00 175.26 175.26 1ie5 s ALA 83 N 0.15 -1.58 -0.13 6.30 0.00 -0.75 -4.98 121.76 120.77 1ie5 s ALA 83 Ca 0.62 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 1ie5 s ALA 83 Cb -0.45 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1ie5 s ALA 83 CO 0.44 -0.81 -0.09 -2.00 0.00 0.00 0.00 175.76 173.29 1ie5 s GLU 84 N -3.63 1.73 -0.24 0.00 2.12 -1.26 -0.73 118.70 116.68 1ie5 s GLU 84 Ca 0.04 -0.36 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 1ie5 s GLU 84 Cb -0.02 -1.76 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 1ie5 s GLU 84 CO -0.08 -0.27 0.13 0.71 -0.54 0.00 0.00 175.26 175.20 1ie5 s TYR 85 N 1.64 3.21 -0.23 5.30 2.02 0.38 -0.81 117.35 128.86 1ie5 s TYR 85 Ca 0.05 -0.01 -0.07 0.00 -0.37 0.00 0.00 57.07 56.67 1ie5 s TYR 85 Cb -0.13 -2.26 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 1ie5 s TYR 85 CO -0.09 -0.10 0.05 0.42 -1.57 0.00 0.00 175.55 174.26 1ie5 s ILE 86 N 1.29 4.29 -0.04 2.71 1.09 -1.25 -1.33 121.20 127.96 1ie5 s ILE 86 Ca 0.06 -0.19 0.05 0.00 -1.10 0.00 0.00 60.65 59.47 1ie5 s ILE 86 Cb -0.14 -2.98 -0.01 0.00 -1.06 0.00 0.00 42.46 38.27 1ie5 s ILE 86 CO 0.05 0.38 -0.19 0.00 -0.10 0.00 0.00 174.94 175.08 1ie5 s ILE 88 N -0.07 0.66 -0.04 0.00 1.01 -0.29 -0.69 121.20 121.78 1ie5 s ILE 88 Ca -0.02 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.16 1ie5 s ILE 88 Cb -0.11 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1ie5 s ILE 88 CO 0.02 0.08 -0.15 0.00 0.00 0.00 0.00 174.94 174.89 1ie5 s ALA 89 N -0.42 1.35 0.07 9.38 0.00 0.01 -1.35 121.76 130.81 1ie5 s ALA 89 Ca 0.01 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1ie5 s ALA 89 Cb -0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1ie5 s ALA 89 CO -0.00 0.22 -0.10 -2.00 0.00 0.00 0.00 175.76 173.88 1ie5 s GLU 90 N 0.16 0.74 0.27 0.00 2.12 0.05 -0.84 118.70 121.20 1ie5 s GLU 90 Ca -0.05 -0.98 -0.09 0.00 0.36 0.00 0.00 54.97 54.21 1ie5 s GLU 90 Cb -0.11 -0.53 -0.01 0.00 0.26 0.00 0.00 34.13 33.74 1ie5 s GLU 90 CO 0.02 0.10 0.45 1.21 -0.54 0.00 0.00 175.26 176.49 1ie5 s ASN 91 N -1.98 0.16 0.60 -1.70 3.84 -0.21 -0.47 114.94 115.17 1ie5 s ASN 91 Ca -0.01 -1.11 0.31 0.00 0.21 0.00 0.00 52.86 52.25 1ie5 s ASN 91 Cb -0.07 0.59 1.88 0.00 -0.55 0.00 0.00 41.25 43.09 1ie5 s ASN 91 CO 0.01 -1.16 2.26 0.07 -2.79 0.00 0.00 177.10 175.49 1ie5 h LYS 92 N 2.26 0.00 0.00 0.43 -0.00 -1.96 -2.81 116.57 114.49 1ie5 h LYS 92 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 1ie5 h LYS 92 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1ie5 h LYS 92 CO 0.38 0.00 -0.81 0.00 -0.00 0.00 0.00 179.45 179.02 1ie5 h ALA 93 N 1.98 0.51 0.00 0.07 0.00 -1.95 -3.51 119.26 116.37 1ie5 h ALA 93 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ie5 h ALA 93 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ie5 h ALA 93 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ie5 n GLY 94 N 1.28 -0.89 3.56 0.00 0.00 -1.06 -4.67 105.19 103.41 1ie5 n GLY 94 Ca 0.02 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 1ie5 n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ie5 s GLU 95 N -0.69 0.82 0.23 1.61 2.12 -1.26 -1.05 118.70 120.47 1ie5 s GLU 95 Ca 0.00 0.32 -0.19 0.00 0.36 0.00 0.00 54.97 55.46 1ie5 s GLU 95 Cb 0.00 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.81 1ie5 s GLU 95 CO 0.00 -0.23 0.61 -1.14 -0.54 0.00 0.00 175.26 173.96 1ie5 s GLN 96 N -0.87 1.53 0.05 4.30 2.00 -0.02 -4.86 119.66 121.80 1ie5 s GLN 96 Ca -0.05 -0.87 -0.17 0.00 -2.00 0.00 0.00 55.36 52.27 1ie5 s GLN 96 Cb -0.01 0.56 0.03 0.00 0.80 0.00 0.00 33.01 34.39 1ie5 s GLN 96 CO 0.05 -0.68 0.38 0.16 -0.50 0.00 0.00 175.29 174.70 1ie5 s ASP 97 N -2.88 -0.24 0.30 6.67 -4.77 -1.26 -0.81 116.67 113.68 1ie5 s ASP 97 Ca 0.09 -0.07 0.06 0.00 -3.30 0.00 0.00 52.55 49.33 1ie5 s ASP 97 Cb -0.03 0.41 -0.02 0.00 -1.09 0.00 0.00 42.92 42.19 1ie5 s ASP 97 CO 0.00 -0.67 0.28 0.00 0.70 0.00 0.00 175.17 175.49 1ie5 n ALA 98 N 0.47 0.50 -3.23 2.11 0.00 0.13 -4.82 120.51 115.68 1ie5 n ALA 98 Ca -0.18 -1.69 -0.13 0.00 0.00 0.00 0.00 53.44 51.43 1ie5 n ALA 98 Cb 0.60 1.37 -0.10 0.00 0.00 0.00 0.00 19.45 21.32 1ie5 n ALA 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ie5 s THR 99 N -3.14 0.01 0.12 0.00 2.01 -1.26 -1.37 115.64 112.01 1ie5 s THR 99 Ca 0.34 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 1ie5 s THR 99 Cb 0.01 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1ie5 s THR 99 CO 0.24 -0.06 0.14 -0.63 -0.69 0.00 0.00 174.62 173.62 1ie5 s ILE 100 N -0.15 0.12 0.07 1.82 1.01 -0.44 -4.78 121.20 118.85 1ie5 s ILE 100 Ca -0.03 -1.59 0.03 0.00 0.00 0.00 0.00 60.65 59.06 1ie5 s ILE 100 Cb -0.03 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1ie5 s ILE 100 CO 0.01 -0.54 -0.08 -2.28 0.00 0.00 0.00 174.94 172.04 1ie5 s HIS 101 N -3.96 0.85 -0.18 3.97 2.46 -0.96 -0.47 115.29 117.00 1ie5 s HIS 101 Ca 0.15 -0.63 -0.02 0.00 0.47 0.00 0.00 55.06 55.03 1ie5 s HIS 101 Cb 0.06 -0.49 0.05 0.00 -0.13 0.00 0.00 32.58 32.07 1ie5 s HIS 101 CO -0.03 -0.07 0.01 -1.17 -2.47 0.00 0.00 174.74 171.00 1ie5 s LEU 102 N -2.14 1.28 0.26 8.88 2.96 0.09 -0.68 118.68 129.33 1ie5 s LEU 102 Ca -0.01 -0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 53.05 1ie5 s LEU 102 Cb -0.05 -0.67 -0.08 0.00 0.50 0.00 0.00 46.19 45.89 1ie5 s LEU 102 CO -0.01 -0.27 0.63 -0.54 -1.32 0.00 0.00 176.35 174.85 1ie5 s LYS 103 N 1.80 3.91 -0.05 1.98 1.02 -0.44 -1.81 119.74 126.16 1ie5 s LYS 103 Ca -0.00 0.47 0.02 0.00 0.02 0.00 0.00 55.97 56.47 1ie5 s LYS 103 Cb -0.16 -2.58 0.01 0.00 -0.52 0.00 0.00 37.83 34.58 1ie5 s LYS 103 CO -0.07 0.26 -0.08 0.08 -0.92 0.00 0.00 175.35 174.61 1ie5 s VAL 104 N -1.86 0.81 0.02 3.17 1.01 -1.26 -2.04 120.40 120.26 1ie5 s VAL 104 Ca 0.50 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1ie5 s VAL 104 Cb -0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1ie5 s VAL 104 CO 0.19 0.28 -0.14 0.72 0.00 0.00 0.00 175.10 176.15 1ie5 s PHE 105 N 0.64 2.69 -0.95 5.22 -0.71 -0.34 -4.95 117.98 119.58 1ie5 s PHE 105 Ca -0.11 -0.17 -0.04 0.00 -1.04 0.00 0.00 56.93 55.57 1ie5 s PHE 105 Cb -0.14 -1.53 0.15 0.00 -1.21 0.00 0.00 43.02 40.30 1ie5 s PHE 105 CO 0.02 0.28 2.39 0.00 -1.34 0.00 0.00 175.22 176.57 1ie5 n ALA 106 N 1.63 6.56 -0.69 1.99 0.00 -1.26 -0.58 120.51 128.16 1ie5 n ALA 106 Ca -0.16 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.45 1ie5 n ALA 106 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13