#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 1.38 -0.12 1.61 -2.85 -1.19 -4.19 119.74 114.37 1ie5 s LYS 2 Ca 0.00 -0.59 -0.13 0.00 -1.00 0.00 0.00 55.97 54.26 1ie5 s LYS 2 Cb 0.00 0.58 -0.11 0.00 -2.06 0.00 0.00 37.83 36.24 1ie5 s LYS 2 CO 0.00 -0.61 0.29 0.22 0.10 0.00 0.00 175.35 175.35 1ie5 h ASP 3 N 2.00 0.00 0.00 0.03 3.58 -0.97 -3.29 116.42 117.77 1ie5 h ASP 3 Ca -0.30 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 56.75 1ie5 h ASP 3 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1ie5 h ASP 3 CO 0.34 0.76 0.00 -0.38 -2.88 0.00 0.00 179.24 177.08 1ie5 n ILE 4 N -4.69 0.00 -2.33 2.25 5.41 -1.26 -4.87 119.36 113.87 1ie5 n ILE 4 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1ie5 n ILE 4 Cb 0.23 -0.14 -0.01 0.00 -0.71 0.00 0.00 39.64 39.02 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 -2.40 0.04 -3.77 0.38 6.02 -1.26 -5.10 117.38 111.30 1ie5 n GLN 5 Ca 0.00 -1.67 -0.13 0.00 -0.01 0.00 0.00 57.00 55.20 1ie5 n GLN 5 Cb 0.00 0.15 -0.12 0.00 1.02 0.00 0.00 30.24 31.29 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ie5 s VAL 6 N -0.06 -0.01 -0.92 5.09 1.01 -1.26 -5.11 120.40 119.14 1ie5 s VAL 6 Ca 0.22 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 1ie5 s VAL 6 Cb 0.25 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 36.31 1ie5 s VAL 6 CO -0.11 0.02 1.38 -0.63 0.00 0.00 0.00 175.10 175.76 1ie5 s ILE 7 N 0.52 3.88 -0.03 2.22 1.09 -1.26 -1.03 121.20 126.59 1ie5 s ILE 7 Ca -0.03 -0.38 -0.08 0.00 -1.10 0.00 0.00 60.65 59.06 1ie5 s ILE 7 Cb -0.05 -5.00 0.01 0.00 -1.06 0.00 0.00 42.46 36.36 1ie5 s ILE 7 CO -0.03 -1.89 0.19 -0.69 -0.10 0.00 0.00 174.94 172.41 1ie5 s VAL 8 N 5.16 0.05 -0.20 2.92 1.01 -1.26 -4.95 120.40 123.13 1ie5 s VAL 8 Ca 0.42 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1ie5 s VAL 8 Cb -0.03 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 36.00 1ie5 s VAL 8 CO -0.01 -0.22 -0.04 0.54 0.00 0.00 0.00 175.10 175.37 1ie5 s ASN 9 N -0.79 3.35 -0.30 3.32 2.20 -1.26 -2.97 114.94 118.49 1ie5 s ASN 9 Ca -0.09 -0.94 -0.13 0.00 -0.94 0.00 0.00 52.86 50.76 1ie5 s ASN 9 Cb -0.05 -1.00 -0.04 0.00 -2.00 0.00 0.00 41.25 38.17 1ie5 s ASN 9 CO 0.01 -0.23 0.26 -0.69 -2.94 0.00 0.00 177.10 173.51 1ie5 s VAL 10 N 1.55 5.26 0.79 3.54 1.01 0.51 -4.88 120.40 128.18 1ie5 s VAL 10 Ca -0.03 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1ie5 s VAL 10 Cb -0.17 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1ie5 s VAL 10 CO -0.07 0.13 0.74 -2.65 0.00 0.00 0.00 175.10 173.25 1ie5 n PRO 11 N 5.16 0.19 -1.84 2.72 -0.02 -1.26 -2.97 135.00 136.98 1ie5 n PRO 11 Ca -0.12 0.12 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 1ie5 n PRO 11 Cb 0.51 -2.05 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 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 -3.36 3.50 -0.25 0.52 0.04 -1.26 -4.70 135.00 129.49 1ie5 s PRO 12 Ca 0.67 0.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.47 1ie5 s PRO 12 Cb -0.31 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.25 1ie5 s PRO 12 CO 0.57 -0.65 0.11 0.45 0.04 0.00 0.00 177.00 177.51 1ie5 s SER 13 N -4.06 3.21 -0.01 6.66 0.15 -0.07 -4.61 113.70 114.97 1ie5 s SER 13 Ca 0.56 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1ie5 s SER 13 Cb -0.12 -0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 63.75 1ie5 s SER 13 CO 0.53 -0.40 0.04 0.54 1.20 0.00 0.00 173.24 175.15 1ie5 s VAL 14 N 2.03 4.45 -0.00 4.45 0.11 -1.26 -1.21 120.40 128.97 1ie5 s VAL 14 Ca 0.06 -0.47 -0.15 0.00 -2.93 0.00 0.00 61.98 58.48 1ie5 s VAL 14 Cb -0.16 -3.00 0.02 0.00 -1.53 0.00 0.00 36.38 31.71 1ie5 s VAL 14 CO -0.25 0.39 0.33 0.00 -3.33 0.00 0.00 175.10 172.23 1ie5 s ARG 15 N -1.58 0.72 -0.84 1.54 3.03 -0.17 -4.52 118.95 117.13 1ie5 s ARG 15 Ca 0.20 -0.24 -0.24 0.00 2.03 0.00 0.00 55.73 57.49 1ie5 s ARG 15 Cb -0.12 0.32 0.06 0.00 -1.03 0.00 0.00 34.95 34.18 1ie5 s ARG 15 CO 0.11 -0.21 1.24 0.00 -1.13 0.00 0.00 175.30 175.32 1ie5 s ALA 16 N -1.59 2.91 0.22 7.88 0.00 -1.26 -1.11 121.76 128.81 1ie5 s ALA 16 Ca -0.12 -1.96 0.09 0.00 0.00 0.00 0.00 51.96 49.98 1ie5 s ALA 16 Cb -0.04 -4.23 0.73 0.00 0.00 0.00 0.00 23.12 19.58 1ie5 s ALA 16 CO 0.03 -3.24 1.00 -2.13 0.00 0.00 0.00 175.76 171.42 1ie5 n ARG 17 N 8.45 -0.04 0.00 0.00 0.63 -0.93 -2.09 116.66 122.67 1ie5 n ARG 17 Ca 0.14 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 57.97 1ie5 n ARG 17 Cb 0.49 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.85 1ie5 n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ie5 n GLN 18 N -4.57 0.06 0.00 -0.14 10.64 -1.26 -5.07 117.38 117.04 1ie5 n GLN 18 Ca 0.21 -0.52 0.00 0.00 -1.83 0.00 0.00 57.00 54.86 1ie5 n GLN 18 Cb 0.71 -0.51 0.00 0.00 -0.86 0.00 0.00 30.24 29.58 1ie5 n GLN 18 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ie5 n SER 19 N -0.01 0.00 -3.65 2.61 2.88 -0.89 -4.76 113.62 109.81 1ie5 n SER 19 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1ie5 n SER 19 Cb 0.49 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.78 1ie5 n SER 19 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ie5 s THR 20 N 0.00 -0.16 0.47 2.46 2.01 -1.26 -0.72 115.64 118.44 1ie5 s THR 20 Ca 0.00 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1ie5 s THR 20 Cb 0.00 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1ie5 s THR 20 CO 0.00 0.06 0.67 -0.04 -0.69 0.00 0.00 174.62 174.62 1ie5 s MET 21 N 2.21 2.81 0.08 4.92 1.00 0.20 -4.96 119.30 125.55 1ie5 s MET 21 Ca 0.04 -0.82 -0.13 0.00 0.00 0.00 0.00 55.69 54.78 1ie5 s MET 21 Cb -0.13 -2.60 0.02 0.00 0.00 0.00 0.00 34.83 32.12 1ie5 s MET 21 CO -0.05 -0.41 0.31 0.54 0.00 0.00 0.00 175.02 175.40 1ie5 s ASN 22 N -4.32 -0.09 -0.09 3.03 2.20 -1.26 -2.09 114.94 112.32 1ie5 s ASN 22 Ca 0.53 -0.36 -0.27 0.00 -0.94 0.00 0.00 52.86 51.81 1ie5 s ASN 22 Cb -0.10 0.39 0.06 0.00 -2.00 0.00 0.00 41.25 39.61 1ie5 s ASN 22 CO 0.36 -0.73 0.63 0.00 -2.94 0.00 0.00 177.10 174.43 1ie5 s ALA 23 N -3.35 -1.62 -0.23 3.54 0.00 -0.97 -4.95 121.76 114.17 1ie5 s ALA 23 Ca 0.01 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 1ie5 s ALA 23 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1ie5 s ALA 23 CO -0.08 -0.34 0.69 0.99 0.00 0.00 0.00 175.76 177.01 1ie5 s THR 24 N -0.89 4.95 0.75 0.00 2.01 -1.26 -1.71 115.64 119.49 1ie5 s THR 24 Ca -0.09 1.28 -0.07 0.00 0.31 0.00 0.00 61.69 63.11 1ie5 s THR 24 Cb -0.02 -3.99 0.09 0.00 0.01 0.00 0.00 72.50 68.59 1ie5 s THR 24 CO 0.07 0.02 1.06 0.00 -0.69 0.00 0.00 174.62 175.09 1ie5 s ALA 25 N 2.43 3.08 0.00 7.40 0.00 -0.06 -4.39 121.76 130.23 1ie5 s ALA 25 Ca 0.29 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1ie5 s ALA 25 Cb -0.16 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1ie5 s ALA 25 CO 0.09 -1.50 0.00 0.09 0.00 0.00 0.00 175.76 174.43 1ie5 n ASN 26 N -3.05 -3.53 0.00 0.00 4.13 -0.41 -4.67 115.26 107.74 1ie5 n ASN 26 Ca 0.10 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.47 1ie5 n ASN 26 Cb 0.60 -2.35 -0.04 0.00 -1.54 0.00 0.00 39.78 36.45 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ie5 n LEU 27 N 0.00 0.80 -2.18 3.41 4.77 -1.26 -4.99 117.00 117.56 1ie5 n LEU 27 Ca 0.00 -0.32 -0.21 0.00 -0.03 0.00 0.00 56.01 55.45 1ie5 n LEU 27 Cb 0.24 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1ie5 n LEU 27 CO 0.00 0.19 -0.25 -1.20 -1.33 0.00 0.00 177.39 174.80 1ie5 n SER 28 N -1.60 -5.84 -4.89 -1.43 7.64 -0.97 -5.00 113.62 101.53 1ie5 n SER 28 Ca 0.04 0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.75 1ie5 n SER 28 Cb 0.36 -4.94 0.04 0.00 -1.01 0.00 0.00 64.21 58.66 1ie5 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ie5 s GLN 29 N -4.69 2.88 0.01 1.43 -2.07 -1.25 -4.18 119.66 111.79 1ie5 s GLN 29 Ca 0.00 0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.89 1ie5 s GLN 29 Cb 0.00 -2.08 -0.04 0.00 -1.09 0.00 0.00 33.01 29.80 1ie5 s GLN 29 CO 0.00 -0.95 0.08 -1.12 -1.32 0.00 0.00 175.29 171.98 1ie5 s SER 30 N -4.34 5.62 -0.06 12.60 0.01 -1.26 -0.61 113.70 125.65 1ie5 s SER 30 Ca 0.57 0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.89 1ie5 s SER 30 Cb -0.11 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.56 1ie5 s SER 30 CO 0.50 0.25 0.15 -0.69 0.41 0.00 0.00 173.24 173.86 1ie5 s VAL 31 N -1.23 -0.02 -0.01 3.43 1.01 0.05 -4.99 120.40 118.63 1ie5 s VAL 31 Ca 0.24 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1ie5 s VAL 31 Cb -0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1ie5 s VAL 31 CO 0.16 0.03 0.08 -0.89 0.00 0.00 0.00 175.10 174.47 1ie5 s THR 32 N 0.49 4.72 0.25 3.92 2.01 -1.26 -0.45 115.64 125.31 1ie5 s THR 32 Ca -0.03 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 1ie5 s THR 32 Cb -0.05 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.35 1ie5 s THR 32 CO -0.02 0.38 0.62 -1.48 -0.69 0.00 0.00 174.62 173.43 1ie5 s LEU 33 N -1.64 -0.11 -0.10 4.42 0.05 -1.05 -5.01 118.68 115.23 1ie5 s LEU 33 Ca 0.22 -0.58 -0.30 0.00 0.05 0.00 0.00 54.13 53.51 1ie5 s LEU 33 Cb -0.12 2.42 0.11 0.00 -2.05 0.00 0.00 46.19 46.55 1ie5 s LEU 33 CO 0.13 -1.21 0.88 0.00 -0.55 0.00 0.00 176.35 175.59 1ie5 s ALA 34 N -3.91 -1.86 -0.52 1.48 0.00 -1.26 -1.03 121.76 114.65 1ie5 s ALA 34 Ca 0.12 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.52 1ie5 s ALA 34 Cb -0.04 -0.32 0.16 0.00 0.00 0.00 0.00 23.12 22.92 1ie5 s ALA 34 CO 0.03 -0.39 0.36 0.00 0.00 0.00 0.00 175.76 175.76 1ie5 s ASP 36 N -0.36 7.14 0.20 0.00 -4.77 -0.27 -4.62 116.67 113.99 1ie5 s ASP 36 Ca 0.25 2.21 0.09 0.00 -3.30 0.00 0.00 52.55 51.80 1ie5 s ASP 36 Cb -0.09 -2.62 -0.04 0.00 -1.09 0.00 0.00 42.92 39.07 1ie5 s ASP 36 CO -0.11 -0.23 -0.18 0.00 0.70 0.00 0.00 175.17 175.34 1ie5 s ALA 37 N -1.29 2.21 0.16 2.11 0.00 -1.26 -1.00 121.76 122.69 1ie5 s ALA 37 Ca 0.48 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 1ie5 s ALA 37 Cb -0.29 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.68 1ie5 s ALA 37 CO 0.38 0.22 0.49 0.34 0.00 0.00 0.00 175.76 177.18 1ie5 s ASP 38 N -3.01 -0.32 0.00 0.00 2.15 -0.35 -4.40 116.67 110.75 1ie5 s ASP 38 Ca 0.21 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1ie5 s ASP 38 Cb -0.04 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.12 1ie5 s ASP 38 CO 0.09 -0.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 1ie5 n GLY 39 N -0.30 1.92 2.85 2.66 0.00 -1.26 -0.89 105.19 110.15 1ie5 n GLY 39 Ca -0.14 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.21 1.01 1.61 0.08 -1.16 -3.68 117.98 113.63 1ie5 s PHE 40 Ca 0.00 0.60 -0.12 0.00 0.12 0.00 0.00 56.93 57.53 1ie5 s PHE 40 Cb 0.00 -0.25 0.16 0.00 -0.57 0.00 0.00 43.02 42.35 1ie5 s PHE 40 CO 0.00 -0.32 0.83 -2.30 -0.10 0.00 0.00 175.22 173.32 1ie5 n PRO 41 N 5.33 -1.06 -1.48 0.24 -0.02 -1.24 -0.36 135.00 136.41 1ie5 n PRO 41 Ca -0.05 -0.26 -0.47 0.00 -2.02 0.00 0.00 63.50 60.70 1ie5 n PRO 41 Cb 0.50 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1ie5 n PRO 41 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ie5 n GLU 42 N -3.64 0.54 -2.27 -0.52 0.28 -1.24 -4.64 120.64 109.14 1ie5 n GLU 42 Ca 0.07 0.19 -0.25 0.00 -0.16 0.00 0.00 57.16 57.01 1ie5 n GLU 42 Cb 0.54 -1.36 0.06 0.00 1.43 0.00 0.00 31.44 32.12 1ie5 n GLU 42 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1ie5 s PRO 43 N -1.16 2.28 0.04 3.44 0.04 -1.26 -4.75 135.00 133.64 1ie5 s PRO 43 Ca 0.63 -0.31 0.09 0.00 0.04 0.00 0.00 61.00 61.45 1ie5 s PRO 43 Cb -0.85 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 1ie5 s PRO 43 CO 0.57 -1.14 -0.26 0.99 0.04 0.00 0.00 177.00 177.21 1ie5 s THR 44 N -3.17 2.07 0.10 1.26 2.01 0.43 -4.99 115.64 113.35 1ie5 s THR 44 Ca 0.59 -1.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.01 1ie5 s THR 44 Cb -0.11 -1.77 0.06 0.00 0.01 0.00 0.00 72.50 70.69 1ie5 s THR 44 CO 0.44 0.34 0.53 0.00 -0.69 0.00 0.00 174.62 175.25 1ie5 s MET 45 N -1.23 1.14 0.20 4.92 0.23 -1.26 -0.68 119.30 122.61 1ie5 s MET 45 Ca 0.11 -0.40 -0.16 0.00 -1.03 0.00 0.00 55.69 54.20 1ie5 s MET 45 Cb -0.10 0.52 0.02 0.00 -1.53 0.00 0.00 34.83 33.74 1ie5 s MET 45 CO 0.02 -0.45 0.50 0.95 -2.03 0.00 0.00 175.02 174.01 1ie5 s THR 46 N -3.18 0.03 0.14 3.16 -4.23 -0.68 -4.88 115.64 105.99 1ie5 s THR 46 Ca -0.01 -0.88 -0.18 0.00 -1.18 0.00 0.00 61.69 59.44 1ie5 s THR 46 Cb -0.00 -1.65 0.05 0.00 1.34 0.00 0.00 72.50 72.24 1ie5 s THR 46 CO -0.08 -0.13 0.46 -1.66 -0.54 0.00 0.00 174.62 172.67 1ie5 s TRP 47 N -3.89 -0.30 0.20 3.99 1.48 -1.26 -1.32 118.94 117.84 1ie5 s TRP 47 Ca 0.11 0.01 0.11 0.00 -1.06 0.00 0.00 56.10 55.27 1ie5 s TRP 47 Cb -0.01 0.35 -0.04 0.00 -1.16 0.00 0.00 33.47 32.61 1ie5 s TRP 47 CO -0.02 -0.75 -0.22 0.95 -4.06 0.00 0.00 176.95 172.86 1ie5 s THR 48 N -3.79 2.24 -1.11 0.66 -4.23 -0.53 -0.35 115.64 108.53 1ie5 s THR 48 Ca 0.02 -2.08 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1ie5 s THR 48 Cb 0.01 -2.09 0.29 0.00 1.34 0.00 0.00 72.50 72.05 1ie5 s THR 48 CO -0.12 -0.22 1.47 1.17 -0.54 0.00 0.00 174.62 176.37 1ie5 n LYS 49 N 0.10 4.25 -0.05 3.99 4.81 0.48 -3.66 118.16 128.08 1ie5 n LYS 49 Ca -0.11 -4.43 0.00 0.00 -0.87 0.00 0.00 58.31 52.89 1ie5 n LYS 49 Cb 0.57 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.06 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 1.83 0.00 0.00 3.14 2.03 -0.73 -3.82 116.55 119.00 1ie5 n ASP 50 Ca 0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1ie5 n ASP 50 Cb 0.34 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 0.26 3.86 0.27 0.00 -1.26 -4.97 105.19 101.35 1ie5 n GLY 51 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 3.83 0.17 1.61 -1.05 -1.25 -4.98 118.70 117.02 1ie5 s GLU 52 Ca 0.00 0.28 -0.30 0.00 -0.15 0.00 0.00 54.97 54.80 1ie5 s GLU 52 Cb 0.00 -2.86 -0.07 0.00 -0.44 0.00 0.00 34.13 30.76 1ie5 s GLU 52 CO 0.00 0.45 0.94 -1.25 0.95 0.00 0.00 175.26 176.35 1ie5 s PRO 53 N -2.26 4.76 -0.54 -4.83 0.04 -1.26 -0.39 135.00 130.52 1ie5 s PRO 53 Ca 0.39 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1ie5 s PRO 53 Cb -0.13 -3.33 0.38 0.00 0.04 0.00 0.00 34.50 31.46 1ie5 s PRO 53 CO 0.20 0.37 2.01 -0.89 0.04 0.00 0.00 177.00 178.73 1ie5 n ILE 54 N 2.17 3.31 -1.67 0.56 5.41 0.52 -4.88 119.36 124.78 1ie5 n ILE 54 Ca -0.00 -2.43 -0.42 0.00 1.00 0.00 0.00 62.75 60.90 1ie5 n ILE 54 Cb 0.48 -1.17 -0.03 0.00 -0.71 0.00 0.00 39.64 38.21 1ie5 n ILE 54 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1ie5 n GLU 55 N -0.52 2.84 0.00 0.38 0.28 -1.26 -4.68 120.64 117.68 1ie5 n GLU 55 Ca 0.52 1.04 0.04 0.00 -0.16 0.00 0.00 57.16 58.60 1ie5 n GLU 55 Cb 0.70 -2.97 0.19 0.00 1.43 0.00 0.00 31.44 30.79 1ie5 n GLU 55 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ie5 n GLN 56 N 6.66 0.01 0.00 3.44 3.00 -1.26 -0.85 117.38 128.38 1ie5 n GLN 56 Ca 0.19 0.34 0.11 0.00 -0.01 0.00 0.00 57.00 57.64 1ie5 n GLN 56 Cb 0.39 -1.50 0.09 0.00 0.00 0.00 0.00 30.24 29.23 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 -1.49 0.90 0.00 -1.09 1.02 -1.26 -4.74 120.64 113.97 1ie5 n GLU 57 Ca 0.02 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 1ie5 n GLU 57 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ie5 n ASP 58 N -0.45 0.00 -4.31 1.62 2.03 -0.91 -5.07 116.55 109.46 1ie5 n ASP 58 Ca 0.09 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.00 1ie5 n ASP 58 Cb 0.41 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.31 5.63 0.00 1.67 3.84 -0.03 -4.87 114.94 120.87 1ie5 s ASN 59 Ca 0.00 -1.28 0.00 0.00 0.21 0.00 0.00 52.86 51.79 1ie5 s ASN 59 Cb 0.00 -1.99 0.00 0.00 -0.55 0.00 0.00 41.25 38.71 1ie5 s ASN 59 CO 0.00 -0.46 0.27 1.21 -2.79 0.00 0.00 177.10 175.33 1ie5 n GLU 60 N 4.93 0.00 -0.00 0.43 2.13 -1.26 -4.56 120.64 122.31 1ie5 n GLU 60 Ca -0.11 -0.22 0.23 0.00 0.66 0.00 0.00 57.16 57.71 1ie5 n GLU 60 Cb 0.44 -0.19 0.72 0.00 0.27 0.00 0.00 31.44 32.68 1ie5 n GLU 60 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1ie5 h GLU 61 N 0.00 0.00 -0.14 5.31 4.11 -2.01 -3.10 114.58 118.76 1ie5 h GLU 61 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 1ie5 h GLU 61 Cb 1.02 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.09 1ie5 h GLU 61 CO 0.00 0.00 -0.46 0.36 0.07 0.00 0.00 179.01 178.98 1ie5 n LYS 62 N -4.02 1.22 -3.54 1.06 2.85 -1.26 -5.09 118.16 109.38 1ie5 n LYS 62 Ca 0.11 -1.98 -0.14 0.00 -1.05 0.00 0.00 58.31 55.25 1ie5 n LYS 62 Cb 0.71 -0.18 -0.05 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 -0.30 -0.52 0.05 5.58 -0.85 -1.17 -0.79 117.35 119.35 1ie5 s TYR 63 Ca 0.22 0.86 -0.27 0.00 -0.52 0.00 0.00 57.07 57.36 1ie5 s TYR 63 Cb 0.41 0.44 0.08 0.00 0.38 0.00 0.00 41.96 43.27 1ie5 s TYR 63 CO -0.08 -0.50 0.70 -1.54 -1.52 0.00 0.00 175.55 172.62 1ie5 s SER 64 N -1.25 -0.54 0.29 -0.18 1.04 -1.05 -4.72 113.70 107.28 1ie5 s SER 64 Ca -0.06 0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 1ie5 s SER 64 Cb -0.00 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 1ie5 s SER 64 CO 0.05 -0.76 0.41 0.72 0.98 0.00 0.00 173.24 174.64 1ie5 s PHE 65 N -2.72 0.93 0.22 5.02 -0.71 -1.26 -0.91 117.98 118.54 1ie5 s PHE 65 Ca -0.02 -1.18 0.06 0.00 -1.04 0.00 0.00 56.93 54.76 1ie5 s PHE 65 Cb -0.01 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 1ie5 s PHE 65 CO -0.05 -1.00 0.16 0.54 -1.34 0.00 0.00 175.22 173.53 1ie5 s ASN 66 N -3.17 5.47 0.92 1.98 6.03 -1.26 -5.02 114.94 119.88 1ie5 s ASN 66 Ca 0.30 -0.22 -0.12 0.00 -1.03 0.00 0.00 52.86 51.79 1ie5 s ASN 66 Cb 0.01 -1.39 0.14 0.00 -3.03 0.00 0.00 41.25 36.98 1ie5 s ASN 66 CO 0.16 0.01 1.12 -0.47 -2.03 0.00 0.00 177.10 175.89 1ie5 s TYR 67 N -1.99 2.43 -1.75 1.54 5.04 -1.26 -4.10 117.35 117.26 1ie5 s TYR 67 Ca 0.32 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 1ie5 s TYR 67 Cb -0.09 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 38.92 1ie5 s TYR 67 CO 0.24 -2.43 0.00 -3.47 -1.34 0.00 0.00 175.55 168.55 1ie5 n ASP 68 N -3.84 -5.66 0.00 4.32 2.03 -1.26 -4.85 116.55 107.29 1ie5 n ASP 68 Ca 0.06 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1ie5 n ASP 68 Cb 0.58 -4.75 0.00 0.00 -0.72 0.00 0.00 41.12 36.23 1ie5 n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ie5 n GLY 69 N -0.93 -1.26 0.93 0.27 0.00 -1.26 -4.89 105.19 98.05 1ie5 n GLY 69 Ca -0.23 -0.89 0.01 0.00 0.00 0.00 0.00 46.02 44.91 1ie5 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ie5 n SER 70 N 0.62 0.32 -4.57 1.61 7.64 -1.26 -4.71 113.62 113.26 1ie5 n SER 70 Ca 0.00 -1.92 -0.35 0.00 1.01 0.00 0.00 58.87 57.61 1ie5 n SER 70 Cb 0.00 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1ie5 n SER 70 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ie5 s GLU 71 N 0.00 3.19 -0.50 1.43 8.01 -1.26 -4.09 118.70 125.48 1ie5 s GLU 71 Ca 0.13 -1.33 -0.26 0.00 0.01 0.00 0.00 54.97 53.52 1ie5 s GLU 71 Cb 0.15 -5.34 0.03 0.00 -4.31 0.00 0.00 34.13 24.66 1ie5 s GLU 71 CO -0.07 -3.03 1.02 -1.17 0.01 0.00 0.00 175.26 172.02 1ie5 s LEU 72 N 7.61 3.85 -0.36 1.80 2.96 -0.20 -4.18 118.68 130.16 1ie5 s LEU 72 Ca 0.60 0.10 -0.19 0.00 -0.22 0.00 0.00 54.13 54.42 1ie5 s LEU 72 Cb 0.00 -3.20 0.00 0.00 0.50 0.00 0.00 46.19 43.50 1ie5 s LEU 72 CO 0.06 -1.20 0.57 -0.63 -1.32 0.00 0.00 176.35 173.83 1ie5 s ILE 73 N 4.14 4.95 -0.24 6.68 1.01 -0.09 -2.54 121.20 135.12 1ie5 s ILE 73 Ca 0.39 0.39 -0.10 0.00 0.00 0.00 0.00 60.65 61.32 1ie5 s ILE 73 Cb -0.09 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 1ie5 s ILE 73 CO 0.26 -0.30 0.15 -0.63 0.00 0.00 0.00 174.94 174.43 1ie5 s ILE 74 N 2.55 5.33 0.54 2.92 1.01 0.41 -2.54 121.20 131.42 1ie5 s ILE 74 Ca 0.21 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 1ie5 s ILE 74 Cb -0.15 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.85 1ie5 s ILE 74 CO 0.14 0.35 0.82 -0.54 0.00 0.00 0.00 174.94 175.72 1ie5 s LYS 75 N 1.01 2.92 -0.23 2.79 -0.14 0.03 -0.77 119.74 125.34 1ie5 s LYS 75 Ca 0.07 -0.23 -0.07 0.00 -1.36 0.00 0.00 55.97 54.38 1ie5 s LYS 75 Cb -0.13 -2.38 0.01 0.00 -1.68 0.00 0.00 37.83 33.65 1ie5 s LYS 75 CO 0.04 -0.58 0.23 0.36 -0.76 0.00 0.00 175.35 174.64 1ie5 n LYS 76 N -2.41 -0.63 -2.13 1.68 2.85 -1.03 -4.88 118.16 111.61 1ie5 n LYS 76 Ca 0.04 0.39 -0.42 0.00 -1.05 0.00 0.00 58.31 57.27 1ie5 n LYS 76 Cb 0.58 -0.76 -0.03 0.00 -0.65 0.00 0.00 35.03 34.17 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 -1.45 3.04 0.00 0.58 1.01 0.22 -4.83 120.40 118.97 1ie5 s VAL 77 Ca 0.07 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1ie5 s VAL 77 Cb -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ie5 s VAL 77 CO 0.32 0.11 0.00 -0.67 0.00 0.00 0.00 175.10 174.86 1ie5 n ASP 78 N 2.95 0.63 0.00 3.32 2.03 -1.26 -2.29 116.55 121.93 1ie5 n ASP 78 Ca 0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1ie5 n ASP 78 Cb 0.42 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1ie5 n ASP 78 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ie5 n LYS 79 N -1.38 0.00 0.00 -0.67 5.02 -1.26 -1.29 118.16 118.58 1ie5 n LYS 79 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 1ie5 n LYS 79 Cb 0.07 0.00 0.86 0.00 -0.02 0.00 0.00 35.03 35.95 1ie5 n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ie5 n SER 80 N 0.00 0.27 -0.01 4.39 3.41 -1.26 -4.12 113.62 116.30 1ie5 n SER 80 Ca 0.00 -1.06 0.14 0.00 -0.26 0.00 0.00 58.87 57.69 1ie5 n SER 80 Cb 0.00 -0.01 0.60 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.80 0.10 -4.67 4.04 9.92 -1.26 -4.89 116.55 118.99 1ie5 n ASP 81 Ca 0.23 0.18 -0.43 0.00 -0.53 0.00 0.00 54.79 54.23 1ie5 n ASP 81 Cb 0.16 -0.33 -0.01 0.00 -0.64 0.00 0.00 41.12 40.30 1ie5 n ASP 81 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ie5 n GLU 82 N -1.40 1.97 -3.48 -1.24 2.13 -1.26 -4.98 120.64 112.38 1ie5 n GLU 82 Ca 0.09 0.69 -0.12 0.00 0.66 0.00 0.00 57.16 58.48 1ie5 n GLU 82 Cb 0.31 -2.26 -0.03 0.00 0.27 0.00 0.00 31.44 29.73 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 -0.82 -1.73 -0.42 4.31 0.00 -1.21 -4.96 121.76 116.93 1ie5 s ALA 83 Ca 0.59 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.51 1ie5 s ALA 83 Cb -0.61 0.41 0.12 0.00 0.00 0.00 0.00 23.12 23.03 1ie5 s ALA 83 CO 0.59 -0.61 0.16 -2.00 0.00 0.00 0.00 175.76 173.89 1ie5 s GLU 84 N -2.74 1.66 -1.33 0.00 2.12 -1.26 -2.05 118.70 115.10 1ie5 s GLU 84 Ca -0.01 -2.18 -0.14 0.00 0.36 0.00 0.00 54.97 53.00 1ie5 s GLU 84 Cb -0.01 -3.16 0.10 0.00 0.26 0.00 0.00 34.13 31.33 1ie5 s GLU 84 CO -0.05 -1.03 1.85 0.66 -0.54 0.00 0.00 175.26 176.15 1ie5 n TYR 85 N 3.73 4.04 -2.31 5.30 4.01 0.55 -1.78 117.16 130.70 1ie5 n TYR 85 Ca 0.04 -2.97 -0.42 0.00 -0.16 0.00 0.00 57.90 54.39 1ie5 n TYR 85 Cb 0.37 -2.38 -0.03 0.00 -0.31 0.00 0.00 39.34 36.99 1ie5 n TYR 85 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ie5 s ILE 86 N 2.60 3.71 -0.03 -0.72 1.01 -1.24 -1.23 121.20 125.30 1ie5 s ILE 86 Ca 0.47 1.23 0.03 0.00 0.00 0.00 0.00 60.65 62.38 1ie5 s ILE 86 Cb 0.07 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1ie5 s ILE 86 CO -0.00 0.10 -0.10 0.00 0.00 0.00 0.00 174.94 174.93 1ie5 s ILE 88 N 0.13 0.82 0.09 0.00 1.01 -0.44 -0.84 121.20 121.98 1ie5 s ILE 88 Ca -0.03 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.31 1ie5 s ILE 88 Cb -0.09 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 1ie5 s ILE 88 CO 0.01 0.26 -0.13 0.00 0.00 0.00 0.00 174.94 175.07 1ie5 s ALA 89 N 0.28 1.26 -0.04 9.38 0.00 -0.18 -1.69 121.76 130.77 1ie5 s ALA 89 Ca -0.05 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 1ie5 s ALA 89 Cb -0.10 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1ie5 s ALA 89 CO 0.01 0.10 0.24 -2.00 0.00 0.00 0.00 175.76 174.11 1ie5 s GLU 90 N -2.25 0.49 0.00 0.00 2.12 0.14 -0.64 118.70 118.56 1ie5 s GLU 90 Ca 0.03 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.29 1ie5 s GLU 90 Cb -0.07 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1ie5 s GLU 90 CO 0.02 -0.11 0.00 0.27 -0.54 0.00 0.00 175.26 174.90 1ie5 n ASN 91 N 1.89 0.00 0.01 -1.70 6.94 -0.31 -0.43 115.26 121.66 1ie5 n ASN 91 Ca -0.19 -0.49 0.12 0.00 -0.02 0.00 0.00 54.58 54.00 1ie5 n ASN 91 Cb 0.57 0.00 0.52 0.00 -2.36 0.00 0.00 39.78 38.50 1ie5 n ASN 91 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ie5 n LYS 92 N 0.00 0.02 -0.02 -3.83 4.76 -1.26 -3.36 118.16 114.47 1ie5 n LYS 92 Ca 0.00 0.09 0.03 0.00 -2.87 0.00 0.00 58.31 55.56 1ie5 n LYS 92 Cb 0.00 -1.52 -0.09 0.00 -1.84 0.00 0.00 35.03 31.58 1ie5 n LYS 92 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ie5 n ALA 93 N -1.52 2.27 -3.00 7.82 0.00 -1.26 -5.06 120.51 119.75 1ie5 n ALA 93 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ie5 n ALA 93 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.97 0.74 3.33 0.00 0.00 -1.21 -4.61 105.19 105.40 1ie5 n GLY 94 Ca -0.05 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 0.86 0.75 0.21 1.61 2.12 -1.26 -1.16 118.70 121.83 1ie5 s GLU 95 Ca 0.00 0.04 -0.17 0.00 0.36 0.00 0.00 54.97 55.20 1ie5 s GLU 95 Cb 0.00 0.34 0.02 0.00 0.26 0.00 0.00 34.13 34.75 1ie5 s GLU 95 CO 0.00 -0.21 0.53 -1.14 -0.54 0.00 0.00 175.26 173.90 1ie5 s GLN 96 N -1.08 1.44 0.11 4.30 2.00 0.19 -4.81 119.66 121.80 1ie5 s GLN 96 Ca -0.11 -0.95 -0.18 0.00 -2.00 0.00 0.00 55.36 52.11 1ie5 s GLN 96 Cb -0.04 0.52 0.04 0.00 0.80 0.00 0.00 33.01 34.33 1ie5 s GLN 96 CO 0.05 -0.61 0.45 0.16 -0.50 0.00 0.00 175.29 174.84 1ie5 s ASP 97 N -2.91 -0.32 0.17 6.67 -4.77 -1.26 -1.01 116.67 113.25 1ie5 s ASP 97 Ca 0.12 -0.17 -0.03 0.00 -3.30 0.00 0.00 52.55 49.17 1ie5 s ASP 97 Cb -0.01 0.49 0.01 0.00 -1.09 0.00 0.00 42.92 42.32 1ie5 s ASP 97 CO 0.00 -0.83 0.28 0.00 0.70 0.00 0.00 175.17 175.32 1ie5 n ALA 98 N -0.08 -0.39 -3.69 2.11 0.00 -0.02 -4.86 120.51 113.58 1ie5 n ALA 98 Ca -0.17 -0.72 -0.10 0.00 0.00 0.00 0.00 53.44 52.45 1ie5 n ALA 98 Cb 0.63 0.58 -0.11 0.00 0.00 0.00 0.00 19.45 20.55 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 -2.60 -0.17 0.18 0.00 2.01 -1.26 -0.88 115.64 112.90 1ie5 s THR 99 Ca 0.12 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1ie5 s THR 99 Cb -0.01 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1ie5 s THR 99 CO 0.09 0.05 0.26 -0.63 -0.69 0.00 0.00 174.62 173.70 1ie5 s ILE 100 N 1.69 5.08 0.26 1.82 1.01 -0.36 -4.76 121.20 125.93 1ie5 s ILE 100 Ca -0.07 -0.88 0.11 0.00 0.00 0.00 0.00 60.65 59.80 1ie5 s ILE 100 Cb -0.09 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 1ie5 s ILE 100 CO -0.12 -0.16 -0.11 -1.00 0.00 0.00 0.00 174.94 173.55 1ie5 s HIS 101 N -1.82 2.50 -0.29 3.97 3.76 0.10 -0.33 115.29 123.18 1ie5 s HIS 101 Ca 0.34 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.96 1ie5 s HIS 101 Cb -0.10 -1.11 0.13 0.00 1.11 0.00 0.00 32.58 32.61 1ie5 s HIS 101 CO 0.27 0.65 0.28 -1.17 -0.85 0.00 0.00 174.74 173.92 1ie5 s LEU 102 N -3.49 -0.16 -0.53 0.89 0.20 -0.87 -0.63 118.68 114.09 1ie5 s LEU 102 Ca 0.30 -0.81 -0.25 0.00 0.69 0.00 0.00 54.13 54.06 1ie5 s LEU 102 Cb -0.06 0.42 0.04 0.00 -0.43 0.00 0.00 46.19 46.16 1ie5 s LEU 102 CO 0.17 -0.39 0.94 -1.59 -0.29 0.00 0.00 176.35 175.18 1ie5 s LYS 103 N 2.33 3.39 -0.33 1.98 -2.85 -0.89 -3.29 119.74 120.08 1ie5 s LYS 103 Ca 0.09 -0.14 -0.12 0.00 -1.00 0.00 0.00 55.97 54.81 1ie5 s LYS 103 Cb -0.14 -4.02 -0.02 0.00 -2.06 0.00 0.00 37.83 31.60 1ie5 s LYS 103 CO -0.33 -1.41 0.21 0.08 0.10 0.00 0.00 175.35 173.99 1ie5 s VAL 104 N 3.90 5.06 -0.07 1.79 1.01 -1.26 -2.30 120.40 128.52 1ie5 s VAL 104 Ca 0.32 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1ie5 s VAL 104 Cb -0.12 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1ie5 s VAL 104 CO 0.21 0.03 -0.09 0.72 0.00 0.00 0.00 175.10 175.97 1ie5 s PHE 105 N 1.69 2.87 -0.51 5.22 -0.12 -0.69 -4.93 117.98 121.51 1ie5 s PHE 105 Ca 0.06 -0.04 -0.03 0.00 -0.05 0.00 0.00 56.93 56.86 1ie5 s PHE 105 Cb -0.17 -1.70 0.19 0.00 -0.63 0.00 0.00 43.02 40.71 1ie5 s PHE 105 CO 0.09 0.28 2.39 0.00 -0.05 0.00 0.00 175.22 177.92 1ie5 n ALA 106 N 2.30 6.15 -0.57 1.99 0.00 -1.26 -0.88 120.51 128.24 1ie5 n ALA 106 Ca -0.18 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1ie5 n ALA 106 Cb 0.53 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13