#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie5 s LYS 2 N 0.00 1.44 -0.04 1.61 1.02 -1.26 -5.05 119.74 117.45 1ie5 s LYS 2 Ca 0.00 -1.51 0.14 0.00 0.02 0.00 0.00 55.97 54.62 1ie5 s LYS 2 Cb 0.00 0.37 0.47 0.00 -0.52 0.00 0.00 37.83 38.15 1ie5 s LYS 2 CO 0.00 -0.54 1.36 -0.40 -0.92 0.00 0.00 175.35 174.85 1ie5 n ASP 3 N -0.49 3.04 -4.58 2.83 5.75 -1.26 -4.82 116.55 117.02 1ie5 n ASP 3 Ca 0.01 -2.15 -0.47 0.00 -0.01 0.00 0.00 54.79 52.17 1ie5 n ASP 3 Cb 0.64 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 1ie5 n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1ie5 n ILE 4 N 0.84 1.30 0.13 2.12 5.41 -1.26 -4.85 119.36 123.05 1ie5 n ILE 4 Ca 0.17 -0.33 -0.05 0.00 1.00 0.00 0.00 62.75 63.55 1ie5 n ILE 4 Cb 0.53 -0.88 0.03 0.00 -0.71 0.00 0.00 39.64 38.61 1ie5 n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ie5 n GLN 5 N 1.39 1.26 -1.03 0.38 1.13 -1.26 -2.60 117.38 116.65 1ie5 n GLN 5 Ca 0.13 -0.57 0.02 0.00 -1.94 0.00 0.00 57.00 54.65 1ie5 n GLN 5 Cb 0.27 -1.22 0.02 0.00 0.11 0.00 0.00 30.24 29.42 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ie5 n VAL 6 N 0.52 0.07 -4.47 5.09 0.31 -1.26 -5.09 118.33 113.49 1ie5 n VAL 6 Ca 0.11 -0.63 -0.24 0.00 -0.01 0.00 0.00 64.34 63.57 1ie5 n VAL 6 Cb 0.65 0.74 -0.10 0.00 -0.91 0.00 0.00 33.84 34.22 1ie5 n VAL 6 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ie5 s ILE 7 N -0.10 2.48 -1.39 2.52 -1.09 -1.07 -5.06 121.20 117.48 1ie5 s ILE 7 Ca 0.19 -2.41 -0.15 0.00 -2.23 0.00 0.00 60.65 56.06 1ie5 s ILE 7 Cb 0.22 -2.30 0.06 0.00 -1.58 0.00 0.00 42.46 38.86 1ie5 s ILE 7 CO -0.09 -0.40 2.04 0.52 -1.23 0.00 0.00 174.94 175.77 1ie5 n VAL 8 N -0.62 3.69 -2.74 2.92 0.31 -1.26 -4.92 118.33 115.72 1ie5 n VAL 8 Ca -0.05 -3.49 -0.43 0.00 -0.01 0.00 0.00 64.34 60.35 1ie5 n VAL 8 Cb 0.60 -2.51 -0.00 0.00 -0.91 0.00 0.00 33.84 31.02 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 3.29 6.93 -0.11 4.52 6.03 -1.26 -4.62 114.94 129.72 1ie5 s ASN 9 Ca 0.48 -2.66 -0.23 0.00 -1.03 0.00 0.00 52.86 49.42 1ie5 s ASN 9 Cb 0.10 -2.50 -0.03 0.00 -3.03 0.00 0.00 41.25 35.79 1ie5 s ASN 9 CO -0.03 -1.00 0.70 -0.69 -2.03 0.00 0.00 177.10 174.05 1ie5 s VAL 10 N 3.12 5.02 1.20 3.54 1.01 0.09 -4.85 120.40 129.53 1ie5 s VAL 10 Ca 0.49 1.42 -0.16 0.00 0.00 0.00 0.00 61.98 63.73 1ie5 s VAL 10 Cb 0.01 -4.03 0.26 0.00 0.00 0.00 0.00 36.38 32.61 1ie5 s VAL 10 CO 0.04 0.19 0.70 -2.65 0.00 0.00 0.00 175.10 173.38 1ie5 n PRO 11 N 4.24 -2.58 -2.82 2.72 -0.02 -1.26 -1.81 135.00 133.47 1ie5 n PRO 11 Ca -0.00 -0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 60.31 1ie5 n PRO 11 Cb 0.51 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 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 -4.15 3.89 -0.96 0.52 0.04 -1.26 -4.17 135.00 128.91 1ie5 s PRO 12 Ca 0.64 -2.08 -0.08 0.00 0.04 0.00 0.00 61.00 59.52 1ie5 s PRO 12 Cb -0.20 -5.17 -0.15 0.00 0.04 0.00 0.00 34.50 29.01 1ie5 s PRO 12 CO 0.64 -1.93 3.14 0.43 0.04 0.00 0.00 177.00 179.33 1ie5 n SER 13 N 6.85 7.16 -4.74 6.66 7.64 -0.44 -4.12 113.62 132.64 1ie5 n SER 13 Ca 0.36 -2.51 -0.42 0.00 1.01 0.00 0.00 58.87 57.31 1ie5 n SER 13 Cb 0.46 -1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.17 1ie5 n SER 13 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ie5 s VAL 14 N 1.80 2.69 0.19 0.44 0.11 -1.26 -4.50 120.40 119.87 1ie5 s VAL 14 Ca 0.67 0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 60.27 1ie5 s VAL 14 Cb 0.23 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 1ie5 s VAL 14 CO -0.04 0.08 0.08 -0.13 -3.33 0.00 0.00 175.10 171.77 1ie5 s ARG 15 N -0.04 1.16 -0.16 1.54 0.52 -0.86 -4.34 118.95 116.78 1ie5 s ARG 15 Ca 0.61 -1.60 -0.15 0.00 -0.52 0.00 0.00 55.73 54.08 1ie5 s ARG 15 Cb -0.42 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.07 1ie5 s ARG 15 CO 0.40 -0.30 0.33 0.00 0.02 0.00 0.00 175.30 175.76 1ie5 s ALA 16 N -3.97 3.57 -0.13 2.13 0.00 -1.26 -0.70 121.76 121.39 1ie5 s ALA 16 Ca 0.33 -0.42 0.20 0.00 0.00 0.00 0.00 51.96 52.06 1ie5 s ALA 16 Cb 0.07 -2.46 0.41 0.00 0.00 0.00 0.00 23.12 21.14 1ie5 s ALA 16 CO 0.09 0.03 1.61 0.00 0.00 0.00 0.00 175.76 177.48 1ie5 h ARG 17 N 6.77 0.00 -2.10 0.00 3.08 -1.89 -3.45 114.38 116.80 1ie5 h ARG 17 Ca -0.41 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1ie5 h ARG 17 Cb 1.17 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.00 1ie5 h ARG 17 CO 0.75 0.29 0.04 -1.14 -1.07 0.00 0.00 179.97 178.84 1ie5 s GLN 18 N -3.23 0.74 0.36 0.04 2.00 -1.26 -5.06 119.66 113.24 1ie5 s GLN 18 Ca 0.04 1.04 0.19 0.00 -2.00 0.00 0.00 55.36 54.62 1ie5 s GLN 18 Cb 0.08 0.27 0.50 0.00 0.80 0.00 0.00 33.01 34.66 1ie5 s GLN 18 CO 0.69 -0.12 1.64 0.77 -0.50 0.00 0.00 175.29 177.78 1ie5 h SER 19 N 5.89 0.00 -2.19 6.67 0.02 -1.87 -3.44 113.55 118.64 1ie5 h SER 19 Ca -0.30 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.54 1ie5 h SER 19 Cb 1.19 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.44 1ie5 h SER 19 CO 0.12 0.37 -0.42 -0.89 -1.14 0.00 0.00 176.83 174.87 1ie5 s THR 20 N -3.35 -0.64 0.18 -2.27 2.01 -1.26 -1.05 115.64 109.27 1ie5 s THR 20 Ca 0.02 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.12 1ie5 s THR 20 Cb 0.09 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 1ie5 s THR 20 CO 0.69 -0.02 0.21 -0.04 -0.69 0.00 0.00 174.62 174.77 1ie5 s MET 21 N 2.59 3.11 0.02 4.92 -1.94 0.09 -4.96 119.30 123.12 1ie5 s MET 21 Ca 0.06 -0.81 -0.01 0.00 -1.71 0.00 0.00 55.69 53.22 1ie5 s MET 21 Cb -0.14 -2.74 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 1ie5 s MET 21 CO -0.14 0.48 -0.01 -0.80 -0.01 0.00 0.00 175.02 174.53 1ie5 s ASN 22 N -3.34 0.27 0.14 3.03 0.01 -1.26 -1.29 114.94 112.49 1ie5 s ASN 22 Ca 0.33 -0.57 -0.24 0.00 -0.71 0.00 0.00 52.86 51.67 1ie5 s ASN 22 Cb -0.10 0.13 0.07 0.00 0.41 0.00 0.00 41.25 41.76 1ie5 s ASN 22 CO 0.26 -0.36 0.67 0.00 -1.51 0.00 0.00 177.10 176.16 1ie5 s ALA 23 N -1.91 -1.62 -0.20 0.60 0.00 -1.08 -4.98 121.76 112.57 1ie5 s ALA 23 Ca -0.12 0.52 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 1ie5 s ALA 23 Cb -0.07 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1ie5 s ALA 23 CO -0.02 -0.78 0.08 0.99 0.00 0.00 0.00 175.76 176.02 1ie5 s THR 24 N -3.63 4.83 0.67 0.00 2.01 -1.26 -1.08 115.64 117.18 1ie5 s THR 24 Ca 0.03 -0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1ie5 s THR 24 Cb -0.01 -3.20 0.04 0.00 0.01 0.00 0.00 72.50 69.34 1ie5 s THR 24 CO -0.10 0.43 0.99 0.00 -0.69 0.00 0.00 174.62 175.25 1ie5 s ALA 25 N 0.59 3.15 0.00 7.40 0.00 -0.10 -4.38 121.76 128.42 1ie5 s ALA 25 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1ie5 s ALA 25 Cb -0.13 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1ie5 s ALA 25 CO 0.01 -1.14 0.00 0.09 0.00 0.00 0.00 175.76 174.72 1ie5 n ASN 26 N -2.84 0.00 0.00 0.00 3.02 -1.26 -4.50 115.26 109.68 1ie5 n ASN 26 Ca 0.07 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.72 1ie5 n ASN 26 Cb 0.59 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ie5 n LEU 27 N 0.00 0.90 -2.22 3.41 4.77 -1.26 -5.00 117.00 117.60 1ie5 n LEU 27 Ca 0.00 -0.40 -0.19 0.00 -0.03 0.00 0.00 56.01 55.38 1ie5 n LEU 27 Cb 0.00 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1ie5 n LEU 27 CO 0.00 0.22 -0.23 -1.54 -1.33 0.00 0.00 177.39 174.51 1ie5 n SER 28 N -1.52 -5.45 -4.74 -1.43 3.41 -1.25 -4.98 113.62 97.67 1ie5 n SER 28 Ca 0.04 0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.48 1ie5 n SER 28 Cb 0.34 -4.61 0.13 0.00 -0.26 0.00 0.00 64.21 59.81 1ie5 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ie5 s GLN 29 N -4.74 1.39 -0.00 4.33 -2.07 -1.26 -3.84 119.66 113.48 1ie5 s GLN 29 Ca 0.00 0.76 0.03 0.00 -1.82 0.00 0.00 55.36 54.32 1ie5 s GLN 29 Cb 0.00 -1.83 -0.03 0.00 -1.09 0.00 0.00 33.01 30.06 1ie5 s GLN 29 CO 0.00 -2.13 -0.04 -1.12 -1.32 0.00 0.00 175.29 170.68 1ie5 s SER 30 N -3.54 4.81 -0.12 12.60 0.01 -1.26 -0.93 113.70 125.26 1ie5 s SER 30 Ca 0.63 -0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.70 1ie5 s SER 30 Cb -0.17 -1.17 0.04 0.00 0.21 0.00 0.00 66.02 64.92 1ie5 s SER 30 CO 0.56 0.28 0.31 -0.69 0.41 0.00 0.00 173.24 174.12 1ie5 s VAL 31 N -1.02 -0.01 -0.07 3.43 1.01 0.22 -4.99 120.40 118.97 1ie5 s VAL 31 Ca 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1ie5 s VAL 31 Cb -0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1ie5 s VAL 31 CO 0.08 0.02 0.04 -0.89 0.00 0.00 0.00 175.10 174.35 1ie5 s THR 32 N 0.58 4.59 0.27 3.92 2.01 -1.26 -0.27 115.64 125.47 1ie5 s THR 32 Ca -0.03 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1ie5 s THR 32 Cb -0.05 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1ie5 s THR 32 CO -0.03 0.53 0.25 -1.48 -0.69 0.00 0.00 174.62 173.20 1ie5 s LEU 33 N -1.16 1.25 -0.18 4.42 0.05 -0.63 -5.00 118.68 117.42 1ie5 s LEU 33 Ca 0.16 -1.48 -0.28 0.00 0.05 0.00 0.00 54.13 52.58 1ie5 s LEU 33 Cb -0.12 0.70 0.10 0.00 -2.05 0.00 0.00 46.19 44.83 1ie5 s LEU 33 CO 0.06 -1.00 0.86 0.00 -0.55 0.00 0.00 176.35 175.72 1ie5 s ALA 34 N -3.77 -1.87 -0.33 1.48 0.00 -1.26 -0.66 121.76 115.35 1ie5 s ALA 34 Ca 0.37 1.68 0.03 0.00 0.00 0.00 0.00 51.96 54.04 1ie5 s ALA 34 Cb 0.04 -0.80 0.09 0.00 0.00 0.00 0.00 23.12 22.45 1ie5 s ALA 34 CO 0.18 -0.31 0.03 0.00 0.00 0.00 0.00 175.76 175.66 1ie5 s ASP 36 N 1.03 6.21 0.09 0.00 -4.77 0.12 -4.40 116.67 114.95 1ie5 s ASP 36 Ca 0.07 -1.40 -0.15 0.00 -3.30 0.00 0.00 52.55 47.76 1ie5 s ASP 36 Cb -0.20 -2.57 -0.06 0.00 -1.09 0.00 0.00 42.92 39.00 1ie5 s ASP 36 CO -0.07 -1.78 0.51 0.00 0.70 0.00 0.00 175.17 174.53 1ie5 s ALA 37 N 6.13 3.63 -0.07 2.11 0.00 -1.26 -2.02 121.76 130.27 1ie5 s ALA 37 Ca 0.52 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 1ie5 s ALA 37 Cb -0.01 -2.49 0.10 0.00 0.00 0.00 0.00 23.12 20.71 1ie5 s ALA 37 CO -0.06 0.46 0.83 0.34 0.00 0.00 0.00 175.76 177.33 1ie5 s ASP 38 N -1.42 -0.50 0.00 0.00 2.15 -1.26 -4.82 116.67 110.82 1ie5 s ASP 38 Ca 0.32 0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.74 1ie5 s ASP 38 Cb -0.16 0.43 0.00 0.00 -0.30 0.00 0.00 42.92 42.89 1ie5 s ASP 38 CO 0.18 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 1ie5 n GLY 39 N 0.59 0.16 2.83 2.66 0.00 -1.26 -1.32 105.19 108.85 1ie5 n GLY 39 Ca -0.14 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 1ie5 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ie5 s PHE 40 N -2.00 -0.22 0.85 1.61 0.08 -0.75 -3.39 117.98 114.16 1ie5 s PHE 40 Ca 0.00 0.51 -0.13 0.00 0.12 0.00 0.00 56.93 57.43 1ie5 s PHE 40 Cb 0.00 -0.28 0.05 0.00 -0.57 0.00 0.00 43.02 42.22 1ie5 s PHE 40 CO 0.00 -0.38 0.77 -2.30 -0.10 0.00 0.00 175.22 173.21 1ie5 n PRO 41 N 5.32 -0.03 -1.56 0.24 -0.02 -1.26 -0.73 135.00 136.96 1ie5 n PRO 41 Ca -0.05 0.05 -0.51 0.00 -2.02 0.00 0.00 63.50 60.97 1ie5 n PRO 41 Cb 0.50 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1ie5 n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ie5 n GLU 42 N -2.28 0.89 -2.44 -0.52 4.71 -1.22 -4.69 120.64 115.10 1ie5 n GLU 42 Ca 0.10 0.32 -0.28 0.00 -0.01 0.00 0.00 57.16 57.29 1ie5 n GLU 42 Cb 0.52 -1.82 0.01 0.00 -1.01 0.00 0.00 31.44 29.13 1ie5 n GLU 42 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1ie5 s PRO 43 N -0.12 3.42 -0.16 3.49 0.04 -1.26 -4.91 135.00 135.50 1ie5 s PRO 43 Ca 0.79 0.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.04 1ie5 s PRO 43 Cb -0.95 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1ie5 s PRO 43 CO 0.52 -0.38 0.03 0.99 0.04 0.00 0.00 177.00 178.20 1ie5 s THR 44 N -2.88 4.55 0.04 1.26 2.01 0.15 -4.98 115.64 115.78 1ie5 s THR 44 Ca 0.50 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 1ie5 s THR 44 Cb -0.10 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1ie5 s THR 44 CO 0.47 0.50 0.06 0.00 -0.69 0.00 0.00 174.62 174.95 1ie5 s MET 45 N 0.10 0.56 0.29 4.92 0.23 -1.26 -0.67 119.30 123.46 1ie5 s MET 45 Ca 0.03 -0.81 -0.10 0.00 -1.03 0.00 0.00 55.69 53.78 1ie5 s MET 45 Cb -0.13 0.21 0.00 0.00 -1.53 0.00 0.00 34.83 33.39 1ie5 s MET 45 CO 0.01 -0.13 0.50 0.95 -2.03 0.00 0.00 175.02 174.32 1ie5 s THR 46 N -2.68 0.00 0.17 3.16 -4.23 -0.53 -4.86 115.64 106.67 1ie5 s THR 46 Ca -0.04 -1.44 -0.24 0.00 -1.18 0.00 0.00 61.69 58.79 1ie5 s THR 46 Cb -0.01 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.48 1ie5 s THR 46 CO -0.05 0.00 0.78 -1.66 -0.54 0.00 0.00 174.62 173.15 1ie5 s TRP 47 N -3.57 -0.29 0.21 3.99 1.48 -1.26 -1.07 118.94 118.43 1ie5 s TRP 47 Ca 0.24 -0.02 0.09 0.00 -1.06 0.00 0.00 56.10 55.35 1ie5 s TRP 47 Cb -0.01 0.63 -0.05 0.00 -1.16 0.00 0.00 33.47 32.88 1ie5 s TRP 47 CO 0.13 -0.93 -0.17 0.95 -4.06 0.00 0.00 176.95 172.86 1ie5 s THR 48 N -3.59 1.95 -0.76 0.66 -4.23 -0.66 -0.05 115.64 108.95 1ie5 s THR 48 Ca 0.08 -2.14 0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1ie5 s THR 48 Cb -0.03 -2.03 0.34 0.00 1.34 0.00 0.00 72.50 72.13 1ie5 s THR 48 CO -0.02 -0.43 1.44 1.17 -0.54 0.00 0.00 174.62 176.24 1ie5 n LYS 49 N -0.16 4.03 -0.36 3.99 4.81 0.39 -3.93 118.16 126.93 1ie5 n LYS 49 Ca -0.09 -4.58 0.00 0.00 -0.87 0.00 0.00 58.31 52.77 1ie5 n LYS 49 Cb 0.59 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.31 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 -0.25 0.00 0.00 3.14 2.03 -0.40 -4.22 116.55 116.86 1ie5 n ASP 50 Ca 0.41 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1ie5 n ASP 50 Cb 0.36 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 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 -2.00 0.39 3.91 0.27 0.00 -1.26 -4.90 105.19 101.59 1ie5 n GLY 51 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 3.62 -0.02 1.61 -1.05 -1.26 -5.00 118.70 116.60 1ie5 s GLU 52 Ca 0.00 -0.08 -0.22 0.00 -0.15 0.00 0.00 54.97 54.51 1ie5 s GLU 52 Cb 0.00 -2.75 -0.05 0.00 -0.44 0.00 0.00 34.13 30.89 1ie5 s GLU 52 CO 0.00 0.34 0.67 -1.25 0.95 0.00 0.00 175.26 175.97 1ie5 s PRO 53 N -3.18 4.40 -0.27 -4.83 0.04 -1.26 -0.46 135.00 129.44 1ie5 s PRO 53 Ca 0.42 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 1ie5 s PRO 53 Cb -0.11 -3.39 -0.06 0.00 0.04 0.00 0.00 34.50 30.99 1ie5 s PRO 53 CO 0.27 0.24 3.05 -0.89 0.04 0.00 0.00 177.00 179.71 1ie5 n ILE 54 N 3.13 3.15 -2.31 0.56 5.41 0.93 -4.89 119.36 125.34 1ie5 n ILE 54 Ca -0.04 -2.33 -0.42 0.00 1.00 0.00 0.00 62.75 60.96 1ie5 n ILE 54 Cb 0.51 -1.73 -0.02 0.00 -0.71 0.00 0.00 39.64 37.68 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 -0.68 3.38 0.27 0.38 -1.05 -1.26 -4.38 118.70 115.37 1ie5 s GLU 55 Ca 0.60 0.77 0.14 0.00 -0.15 0.00 0.00 54.97 56.33 1ie5 s GLU 55 Cb 0.35 -4.10 0.79 0.00 -0.44 0.00 0.00 34.13 30.72 1ie5 s GLU 55 CO -0.13 -1.81 1.38 1.04 0.95 0.00 0.00 175.26 176.69 1ie5 n GLN 56 N 8.41 0.10 0.06 -4.83 3.00 -1.26 -0.32 117.38 122.53 1ie5 n GLN 56 Ca 0.16 0.57 0.12 0.00 -0.01 0.00 0.00 57.00 57.84 1ie5 n GLN 56 Cb 0.49 -1.96 0.30 0.00 0.00 0.00 0.00 30.24 29.06 1ie5 n GLN 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1ie5 n GLU 57 N -2.03 0.22 0.00 -1.09 -0.58 -1.26 -4.69 120.64 111.21 1ie5 n GLU 57 Ca -0.01 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1ie5 n GLU 57 Cb 0.17 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ie5 n ASP 58 N -2.01 0.00 -4.67 1.62 2.03 -0.94 -5.11 116.55 107.46 1ie5 n ASP 58 Ca 0.05 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.98 1ie5 n ASP 58 Cb 0.41 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.73 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1ie5 s ASN 59 N -0.33 6.34 0.00 1.67 3.84 0.56 -4.92 114.94 122.11 1ie5 s ASN 59 Ca 0.00 0.39 0.00 0.00 0.21 0.00 0.00 52.86 53.46 1ie5 s ASN 59 Cb 0.00 -2.19 0.00 0.00 -0.55 0.00 0.00 41.25 38.51 1ie5 s ASN 59 CO 0.00 -0.04 0.29 -0.62 -2.79 0.00 0.00 177.10 173.95 1ie5 n GLU 60 N 4.43 0.00 -0.39 0.43 1.02 -1.26 -4.34 120.64 120.53 1ie5 n GLU 60 Ca -0.10 -0.29 0.34 0.00 -0.02 0.00 0.00 57.16 57.08 1ie5 n GLU 60 Cb 0.51 -0.32 0.58 0.00 -0.02 0.00 0.00 31.44 32.19 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 0.00 -0.04 -2.69 3.49 -0.58 -1.26 -2.18 120.64 117.38 1ie5 n GLU 61 Ca 0.00 1.15 -0.07 0.00 -0.42 0.00 0.00 57.16 57.82 1ie5 n GLU 61 Cb 0.47 -2.20 0.09 0.00 -0.57 0.00 0.00 31.44 29.24 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 -4.62 1.23 -3.52 3.49 2.85 -1.26 -5.09 118.16 111.23 1ie5 n LYS 62 Ca 0.35 -2.21 -0.11 0.00 -1.05 0.00 0.00 58.31 55.29 1ie5 n LYS 62 Cb 1.33 -0.38 -0.04 0.00 -0.65 0.00 0.00 35.03 35.29 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 -0.88 -0.42 0.03 5.58 -0.85 -0.93 -1.38 117.35 118.51 1ie5 s TYR 63 Ca 0.22 0.49 -0.03 0.00 -0.52 0.00 0.00 57.07 57.24 1ie5 s TYR 63 Cb 0.42 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 43.23 1ie5 s TYR 63 CO -0.06 -0.52 0.02 -1.12 -1.52 0.00 0.00 175.55 172.35 1ie5 s SER 64 N -1.90 0.26 0.27 -0.18 0.01 -0.26 -4.70 113.70 107.19 1ie5 s SER 64 Ca 0.00 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 56.66 1ie5 s SER 64 Cb -0.01 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 1ie5 s SER 64 CO -0.03 -0.44 0.28 0.72 0.41 0.00 0.00 173.24 174.17 1ie5 s PHE 65 N -2.35 1.19 0.47 2.43 -0.12 -1.26 -0.93 117.98 117.42 1ie5 s PHE 65 Ca -0.07 -1.35 -0.01 0.00 -0.05 0.00 0.00 56.93 55.45 1ie5 s PHE 65 Cb -0.03 -0.42 0.09 0.00 -0.63 0.00 0.00 43.02 42.03 1ie5 s PHE 65 CO -0.04 -0.83 0.64 0.27 -0.05 0.00 0.00 175.22 175.21 1ie5 n ASN 66 N -0.82 0.80 0.16 1.98 0.23 -1.21 -4.98 115.26 111.43 1ie5 n ASN 66 Ca 0.03 -1.69 0.13 0.00 -0.53 0.00 0.00 54.58 52.52 1ie5 n ASN 66 Cb 0.64 -0.42 0.43 0.00 -2.08 0.00 0.00 39.78 38.34 1ie5 n ASN 66 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1ie5 h TYR 67 N -0.59 0.00 0.00 -2.53 0.05 -2.03 -2.62 116.97 109.25 1ie5 h TYR 67 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1ie5 h TYR 67 Cb 0.77 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1ie5 h TYR 67 CO 0.00 0.00 -0.68 -0.25 -1.05 0.00 0.00 178.16 176.18 1ie5 n ASP 68 N -2.57 0.62 0.00 3.88 8.00 -1.26 -4.97 116.55 120.25 1ie5 n ASP 68 Ca 0.03 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1ie5 n ASP 68 Cb 0.38 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 1.39 0.70 0.13 0.44 0.00 -0.99 -4.82 105.19 102.04 1ie5 n GLY 69 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1ie5 n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ie5 h SER 70 N 0.00 0.54 -3.46 1.61 4.64 -1.83 -3.44 113.55 111.61 1ie5 h SER 70 Ca 0.00 -0.91 -0.59 0.00 -0.47 0.00 0.00 61.79 59.82 1ie5 h SER 70 Cb 0.05 -0.18 -0.09 0.00 -0.31 0.00 0.00 62.40 61.87 1ie5 h SER 70 CO 0.00 1.62 0.56 -1.61 -0.87 0.00 0.00 176.83 176.53 1ie5 s GLU 71 N -2.51 3.89 -0.41 4.77 2.02 -1.26 -1.35 118.70 123.84 1ie5 s GLU 71 Ca -0.16 0.61 -0.15 0.00 0.02 0.00 0.00 54.97 55.29 1ie5 s GLU 71 Cb 0.04 -3.78 0.02 0.00 0.10 0.00 0.00 34.13 30.51 1ie5 s GLU 71 CO 0.83 -0.87 0.31 -1.17 0.02 0.00 0.00 175.26 174.38 1ie5 s LEU 72 N 3.33 5.14 -0.33 1.80 2.96 0.16 -3.30 118.68 128.44 1ie5 s LEU 72 Ca 0.37 -0.92 -0.19 0.00 -0.22 0.00 0.00 54.13 53.17 1ie5 s LEU 72 Cb -0.13 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 1ie5 s LEU 72 CO 0.17 -0.46 0.54 -0.63 -1.32 0.00 0.00 176.35 174.65 1ie5 s ILE 73 N 1.68 4.99 -0.05 6.68 1.01 -0.10 -1.60 121.20 133.82 1ie5 s ILE 73 Ca 0.05 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.14 1ie5 s ILE 73 Cb -0.19 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1ie5 s ILE 73 CO 0.10 -0.18 0.20 -0.63 0.00 0.00 0.00 174.94 174.43 1ie5 s ILE 74 N 2.46 5.41 0.23 2.92 1.01 0.63 -1.10 121.20 132.75 1ie5 s ILE 74 Ca 0.21 0.12 0.11 0.00 0.00 0.00 0.00 60.65 61.09 1ie5 s ILE 74 Cb -0.15 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1ie5 s ILE 74 CO 0.13 0.46 -0.18 -1.59 0.00 0.00 0.00 174.94 173.76 1ie5 s LYS 75 N -1.50 1.73 -1.15 2.79 -2.85 -0.48 -0.61 119.74 117.68 1ie5 s LYS 75 Ca 0.22 -1.57 -0.27 0.00 -1.00 0.00 0.00 55.97 53.35 1ie5 s LYS 75 Cb -0.13 -1.89 0.02 0.00 -2.06 0.00 0.00 37.83 33.77 1ie5 s LYS 75 CO 0.12 0.38 0.72 0.36 0.10 0.00 0.00 175.35 177.02 1ie5 n LYS 76 N -0.21 -0.67 -1.97 1.78 2.85 -0.73 -4.83 118.16 114.37 1ie5 n LYS 76 Ca -0.09 0.27 -0.39 0.00 -1.05 0.00 0.00 58.31 57.05 1ie5 n LYS 76 Cb 0.58 -3.09 0.01 0.00 -0.65 0.00 0.00 35.03 31.87 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ie5 s VAL 77 N -3.46 2.45 0.27 0.58 1.01 -0.11 -4.84 120.40 116.31 1ie5 s VAL 77 Ca 0.45 0.39 -0.10 0.00 0.00 0.00 0.00 61.98 62.72 1ie5 s VAL 77 Cb -0.22 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 32.98 1ie5 s VAL 77 CO 0.93 0.04 0.54 -0.67 0.00 0.00 0.00 175.10 175.94 1ie5 n ASP 78 N -0.16 -1.57 0.33 3.32 2.03 -1.26 -3.93 116.55 115.32 1ie5 n ASP 78 Ca 0.05 -2.13 0.22 0.00 0.52 0.00 0.00 54.79 53.45 1ie5 n ASP 78 Cb 0.44 2.62 1.16 0.00 -0.72 0.00 0.00 41.12 44.62 1ie5 n ASP 78 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ie5 h LYS 79 N 0.00 0.00 -0.00 -0.67 1.57 -1.94 -0.81 116.57 114.72 1ie5 h LYS 79 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1ie5 h LYS 79 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1ie5 h LYS 79 CO 0.30 0.00 -0.02 -1.13 -0.57 0.00 0.00 179.45 178.02 1ie5 n SER 80 N -3.21 0.08 0.12 0.86 3.41 -1.26 -3.79 113.62 109.84 1ie5 n SER 80 Ca -0.03 -0.22 0.12 0.00 -0.26 0.00 0.00 58.87 58.48 1ie5 n SER 80 Cb 0.08 -0.24 0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1ie5 n SER 80 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1ie5 h ASP 81 N 0.09 0.00 -2.27 4.04 3.58 -1.54 -3.47 116.42 116.85 1ie5 h ASP 81 Ca 0.00 -0.01 -0.62 0.00 0.42 0.00 0.00 57.03 56.83 1ie5 h ASP 81 Cb 0.30 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.42 1ie5 h ASP 81 CO 0.00 0.00 0.48 1.21 -2.88 0.00 0.00 179.24 178.05 1ie5 n GLU 82 N -2.73 1.63 -3.51 0.28 2.13 -1.25 -4.99 120.64 112.20 1ie5 n GLU 82 Ca 0.01 0.58 -0.08 0.00 0.66 0.00 0.00 57.16 58.32 1ie5 n GLU 82 Cb 0.54 -2.18 -0.02 0.00 0.27 0.00 0.00 31.44 30.05 1ie5 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ie5 s ALA 83 N 0.02 -1.79 -0.29 4.31 0.00 -0.31 -4.93 121.76 118.76 1ie5 s ALA 83 Ca 0.72 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 53.48 1ie5 s ALA 83 Cb -0.76 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1ie5 s ALA 83 CO 0.49 -0.72 0.16 -2.00 0.00 0.00 0.00 175.76 173.69 1ie5 s GLU 84 N -3.20 3.63 -0.95 0.00 2.12 -1.26 -1.19 118.70 117.84 1ie5 s GLU 84 Ca 0.05 -0.53 -0.12 0.00 0.36 0.00 0.00 54.97 54.74 1ie5 s GLU 84 Cb -0.01 -3.59 0.25 0.00 0.26 0.00 0.00 34.13 31.03 1ie5 s GLU 84 CO -0.09 -0.30 0.92 0.71 -0.54 0.00 0.00 175.26 175.96 1ie5 s TYR 85 N 1.68 3.99 -0.09 5.30 1.51 -0.04 -1.27 117.35 128.43 1ie5 s TYR 85 Ca 0.06 -2.32 -0.20 0.00 -1.01 0.00 0.00 57.07 53.60 1ie5 s TYR 85 Cb -0.16 -3.82 -0.04 0.00 -0.11 0.00 0.00 41.96 37.82 1ie5 s TYR 85 CO 0.08 -0.97 0.57 0.42 -1.11 0.00 0.00 175.55 174.54 1ie5 s ILE 86 N -0.49 5.12 -0.03 2.71 1.01 -1.25 -0.52 121.20 127.75 1ie5 s ILE 86 Ca 0.24 1.15 0.05 0.00 0.00 0.00 0.00 60.65 62.09 1ie5 s ILE 86 Cb -0.10 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1ie5 s ILE 86 CO -0.09 0.30 -0.17 0.00 0.00 0.00 0.00 174.94 174.99 1ie5 s ILE 88 N -0.14 0.90 0.04 0.00 1.09 -0.23 -0.70 121.20 122.16 1ie5 s ILE 88 Ca 0.01 -0.75 -0.04 0.00 -1.10 0.00 0.00 60.65 58.77 1ie5 s ILE 88 Cb -0.10 -0.80 -0.02 0.00 -1.06 0.00 0.00 42.46 40.49 1ie5 s ILE 88 CO 0.01 0.06 0.05 0.00 -0.10 0.00 0.00 174.94 174.96 1ie5 s ALA 89 N -0.63 0.09 -0.07 9.38 0.00 -0.09 -1.45 121.76 128.99 1ie5 s ALA 89 Ca 0.01 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 1ie5 s ALA 89 Cb -0.06 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1ie5 s ALA 89 CO 0.00 -0.31 0.36 -2.00 0.00 0.00 0.00 175.76 173.82 1ie5 s GLU 90 N -2.71 0.59 0.00 0.00 2.12 0.15 -1.16 118.70 117.69 1ie5 s GLU 90 Ca -0.04 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.43 1ie5 s GLU 90 Cb -0.01 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1ie5 s GLU 90 CO -0.05 -0.13 0.00 0.27 -0.54 0.00 0.00 175.26 174.80 1ie5 n ASN 91 N 1.96 0.00 0.24 -1.70 6.94 -0.51 -0.68 115.26 121.51 1ie5 n ASN 91 Ca -0.18 -0.34 0.14 0.00 -0.02 0.00 0.00 54.58 54.18 1ie5 n ASN 91 Cb 0.57 0.00 0.37 0.00 -2.36 0.00 0.00 39.78 38.35 1ie5 n ASN 91 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1ie5 h LYS 92 N 0.00 0.00 0.00 -3.83 1.79 -1.91 -3.25 116.57 109.37 1ie5 h LYS 92 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ie5 h LYS 92 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1ie5 h LYS 92 CO 0.00 0.00 -1.67 0.00 -1.08 0.00 0.00 179.45 176.71 1ie5 n ALA 93 N -2.10 3.19 0.00 3.86 0.00 -1.26 -4.91 120.51 119.29 1ie5 n ALA 93 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1ie5 n ALA 93 Cb 0.45 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1ie5 n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ie5 n GLY 94 N 1.39 -0.57 3.47 0.00 0.00 -1.23 -4.62 105.19 103.64 1ie5 n GLY 94 Ca -0.02 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.34 0.79 0.35 1.61 2.12 -1.26 -1.42 118.70 120.54 1ie5 s GLU 95 Ca 0.00 0.56 -0.17 0.00 0.36 0.00 0.00 54.97 55.72 1ie5 s GLU 95 Cb 0.00 0.38 0.05 0.00 0.26 0.00 0.00 34.13 34.81 1ie5 s GLU 95 CO 0.00 -0.16 0.78 -1.14 -0.54 0.00 0.00 175.26 174.20 1ie5 s GLN 96 N -0.27 2.09 0.05 4.30 2.00 -0.31 -4.89 119.66 122.63 1ie5 s GLN 96 Ca -0.04 -1.30 -0.25 0.00 -2.00 0.00 0.00 55.36 51.77 1ie5 s GLN 96 Cb -0.03 0.62 0.06 0.00 0.80 0.00 0.00 33.01 34.46 1ie5 s GLN 96 CO 0.04 -0.98 0.58 0.16 -0.50 0.00 0.00 175.29 174.59 1ie5 s ASP 97 N -3.03 -0.53 0.25 6.67 -4.77 -1.26 -0.91 116.67 113.09 1ie5 s ASP 97 Ca 0.14 0.28 0.02 0.00 -3.30 0.00 0.00 52.55 49.69 1ie5 s ASP 97 Cb -0.05 0.53 -0.04 0.00 -1.09 0.00 0.00 42.92 42.27 1ie5 s ASP 97 CO 0.10 -0.75 0.18 0.00 0.70 0.00 0.00 175.17 175.40 1ie5 s ALA 98 N -2.42 1.44 -0.04 2.11 0.00 0.13 -4.81 121.76 118.17 1ie5 s ALA 98 Ca -0.05 -1.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.04 1ie5 s ALA 98 Cb -0.01 1.41 0.01 0.00 0.00 0.00 0.00 23.12 24.54 1ie5 s ALA 98 CO -0.01 -0.61 0.10 0.99 0.00 0.00 0.00 175.76 176.23 1ie5 s THR 99 N -3.89 -0.01 0.08 0.00 2.01 -1.26 -1.00 115.64 111.57 1ie5 s THR 99 Ca 0.40 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.44 1ie5 s THR 99 Cb 0.05 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.37 1ie5 s THR 99 CO 0.18 0.01 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.44 1ie5 s ILE 100 N 0.25 0.52 0.00 1.82 1.01 0.32 -4.78 121.20 120.33 1ie5 s ILE 100 Ca -0.02 -1.77 0.07 0.00 0.00 0.00 0.00 60.65 58.94 1ie5 s ILE 100 Cb -0.03 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1ie5 s ILE 100 CO -0.01 -0.85 -0.23 -1.00 0.00 0.00 0.00 174.94 172.86 1ie5 s HIS 101 N -3.39 2.42 -0.26 3.97 3.76 -0.22 -0.86 115.29 120.71 1ie5 s HIS 101 Ca 0.07 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 1ie5 s HIS 101 Cb 0.04 -1.49 0.07 0.00 1.11 0.00 0.00 32.58 32.31 1ie5 s HIS 101 CO -0.06 0.08 -0.03 -1.17 -0.85 0.00 0.00 174.74 172.72 1ie5 s LEU 102 N -0.91 2.93 0.23 0.89 1.98 -0.33 -0.73 118.68 122.73 1ie5 s LEU 102 Ca 0.11 -1.38 0.05 0.00 -2.89 0.00 0.00 54.13 50.02 1ie5 s LEU 102 Cb -0.10 -1.24 -0.03 0.00 0.66 0.00 0.00 46.19 45.47 1ie5 s LEU 102 CO 0.01 -0.27 0.34 -0.54 -1.89 0.00 0.00 176.35 174.00 1ie5 s LYS 103 N 1.32 3.40 -0.03 1.98 1.02 -0.41 -1.16 119.74 125.85 1ie5 s LYS 103 Ca -0.02 -0.77 -0.00 0.00 0.02 0.00 0.00 55.97 55.20 1ie5 s LYS 103 Cb -0.19 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.28 1ie5 s LYS 103 CO -0.08 0.44 0.02 0.08 -0.92 0.00 0.00 175.35 174.89 1ie5 s VAL 104 N -1.97 0.05 -0.03 3.17 1.01 -1.26 -2.63 120.40 118.73 1ie5 s VAL 104 Ca 0.34 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1ie5 s VAL 104 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1ie5 s VAL 104 CO 0.29 0.13 0.01 0.72 0.00 0.00 0.00 175.10 176.25 1ie5 s PHE 105 N 1.27 3.12 -0.36 5.22 -0.71 -0.24 -4.91 117.98 121.37 1ie5 s PHE 105 Ca -0.06 0.13 -0.02 0.00 -1.04 0.00 0.00 56.93 55.93 1ie5 s PHE 105 Cb -0.13 -1.71 0.18 0.00 -1.21 0.00 0.00 43.02 40.14 1ie5 s PHE 105 CO -0.03 0.47 2.24 0.00 -1.34 0.00 0.00 175.22 176.56 1ie5 n ALA 106 N 1.64 5.52 -0.52 1.99 0.00 -1.26 -0.93 120.51 126.95 1ie5 n ALA 106 Ca -0.16 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.20 1ie5 n ALA 106 Cb 0.53 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13