#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 3.66 0.17 1.61 2.20 -1.26 -4.88 119.74 121.23 1ie5 s LYS 2 Ca 0.00 0.03 0.26 0.00 -0.36 0.00 0.00 55.97 55.90 1ie5 s LYS 2 Cb 0.00 -2.68 0.75 0.00 -1.51 0.00 0.00 37.83 34.39 1ie5 s LYS 2 CO 0.00 0.27 1.69 -3.47 -0.36 0.00 0.00 175.35 173.48 1ie5 n ASP 3 N -0.65 0.71 -3.42 1.43 2.03 -1.26 -4.21 116.55 111.19 1ie5 n ASP 3 Ca -0.01 0.46 -0.40 0.00 0.52 0.00 0.00 54.79 55.35 1ie5 n ASP 3 Cb 0.53 -0.55 0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1ie5 n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ie5 n ILE 4 N -2.14 5.34 -3.53 5.18 5.41 -1.26 -4.74 119.36 123.62 1ie5 n ILE 4 Ca 0.05 -5.53 -0.03 0.00 1.00 0.00 0.00 62.75 58.24 1ie5 n ILE 4 Cb 0.42 -1.46 -0.00 0.00 -0.71 0.00 0.00 39.64 37.89 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 -0.20 0.22 -0.77 0.38 1.13 -1.26 -5.03 117.38 111.86 1ie5 n GLN 5 Ca 0.48 -0.67 -0.06 0.00 -1.94 0.00 0.00 57.00 54.81 1ie5 n GLN 5 Cb 0.26 0.70 -0.09 0.00 0.11 0.00 0.00 30.24 31.22 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 -0.14 2.53 -3.79 5.09 0.31 -1.26 -4.77 118.33 116.30 1ie5 n VAL 6 Ca -0.01 -1.03 -0.13 0.00 -0.01 0.00 0.00 64.34 63.16 1ie5 n VAL 6 Cb 0.15 -1.77 -0.11 0.00 -0.91 0.00 0.00 33.84 31.20 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 0.54 0.01 -0.05 2.52 1.01 -1.26 -5.18 121.20 118.79 1ie5 s ILE 7 Ca 0.36 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.97 1ie5 s ILE 7 Cb 0.17 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 42.30 1ie5 s ILE 7 CO 0.00 -0.03 -0.07 -0.69 0.00 0.00 0.00 174.94 174.15 1ie5 s VAL 8 N 0.00 0.73 -0.14 2.92 1.01 -1.26 -4.60 120.40 119.07 1ie5 s VAL 8 Ca -0.01 -0.26 -0.36 0.00 0.00 0.00 0.00 61.98 61.35 1ie5 s VAL 8 Cb -0.02 -0.71 -0.17 0.00 0.00 0.00 0.00 36.38 35.48 1ie5 s VAL 8 CO 0.01 0.26 1.07 -0.46 0.00 0.00 0.00 175.10 175.98 1ie5 n ASN 9 N 3.85 0.33 -4.49 3.32 0.23 -1.26 -4.97 115.26 112.27 1ie5 n ASN 9 Ca -0.24 1.01 -0.36 0.00 -0.53 0.00 0.00 54.58 54.46 1ie5 n ASN 9 Cb 0.52 -0.78 -0.12 0.00 -2.08 0.00 0.00 39.78 37.31 1ie5 n ASN 9 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1ie5 s VAL 10 N 0.83 4.51 1.04 3.53 1.01 0.35 -4.95 120.40 126.72 1ie5 s VAL 10 Ca 0.82 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.56 1ie5 s VAL 10 Cb -1.16 -3.10 0.14 0.00 0.00 0.00 0.00 36.38 32.26 1ie5 s VAL 10 CO 0.56 0.35 0.63 -2.65 0.00 0.00 0.00 175.10 173.98 1ie5 n PRO 11 N 4.72 -1.19 -1.15 2.72 -0.02 -1.26 -2.77 135.00 136.04 1ie5 n PRO 11 Ca -0.16 -0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 60.71 1ie5 n PRO 11 Cb 0.52 -2.01 0.13 0.00 -0.02 0.00 0.00 33.50 32.11 1ie5 n PRO 11 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ie5 s PRO 12 N -4.00 1.56 -0.46 0.52 0.02 -1.26 -4.59 135.00 126.78 1ie5 s PRO 12 Ca 0.62 1.03 0.06 0.00 0.02 0.00 0.00 61.00 62.73 1ie5 s PRO 12 Cb -0.20 -1.83 0.19 0.00 0.02 0.00 0.00 34.50 32.68 1ie5 s PRO 12 CO 0.64 -2.09 0.56 -1.13 -0.33 0.00 0.00 177.00 174.66 1ie5 n SER 13 N -3.81 -1.95 -4.56 2.53 3.41 0.11 -4.63 113.62 104.71 1ie5 n SER 13 Ca 0.08 -2.70 -0.40 0.00 -0.26 0.00 0.00 58.87 55.58 1ie5 n SER 13 Cb 0.54 0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 65.04 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 0.38 5.13 -0.03 -3.33 0.11 -1.26 -2.35 120.40 119.06 1ie5 s VAL 14 Ca 0.32 0.23 0.05 0.00 -2.93 0.00 0.00 61.98 59.65 1ie5 s VAL 14 Cb 0.04 -3.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 1ie5 s VAL 14 CO -0.13 -0.06 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.27 1ie5 s ARG 15 N 2.12 2.35 -0.67 1.54 3.00 -0.13 -4.00 118.95 123.16 1ie5 s ARG 15 Ca 0.14 -0.79 -0.26 0.00 0.00 0.00 0.00 55.73 54.82 1ie5 s ARG 15 Cb -0.16 -2.26 0.04 0.00 0.00 0.00 0.00 34.95 32.56 1ie5 s ARG 15 CO 0.12 0.60 1.18 0.00 0.00 0.00 0.00 175.30 177.19 1ie5 s ALA 16 N -0.72 2.91 0.19 2.13 0.00 -1.26 -1.16 121.76 123.85 1ie5 s ALA 16 Ca 0.11 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 1ie5 s ALA 16 Cb -0.10 -4.09 0.09 0.00 0.00 0.00 0.00 23.12 19.01 1ie5 s ALA 16 CO 0.01 -2.96 1.46 0.00 0.00 0.00 0.00 175.76 174.27 1ie5 h ARG 17 N 9.76 0.40 -6.32 0.00 3.08 -1.87 -3.43 114.38 116.00 1ie5 h ARG 17 Ca -0.27 -0.31 -0.49 0.00 0.07 0.00 0.00 59.98 58.98 1ie5 h ARG 17 Cb 1.06 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1ie5 h ARG 17 CO 1.22 0.94 -0.31 -0.65 -1.07 0.00 0.00 179.97 180.10 1ie5 s GLN 18 N -3.67 3.48 -0.09 0.04 -1.52 -1.16 -5.03 119.66 111.71 1ie5 s GLN 18 Ca -0.06 -0.47 -0.06 0.00 -1.95 0.00 0.00 55.36 52.83 1ie5 s GLN 18 Cb 0.11 -2.79 -0.04 0.00 -0.22 0.00 0.00 33.01 30.06 1ie5 s GLN 18 CO 0.83 0.32 -0.15 0.43 -0.25 0.00 0.00 175.29 176.47 1ie5 n SER 19 N -1.31 0.92 -3.68 5.90 7.64 -1.26 -4.69 113.62 117.15 1ie5 n SER 19 Ca -0.06 0.15 -0.16 0.00 1.01 0.00 0.00 58.87 59.82 1ie5 n SER 19 Cb 0.56 -0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 63.24 1ie5 n SER 19 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ie5 s THR 20 N -2.24 -0.26 0.44 0.44 2.01 -1.26 -1.26 115.64 113.51 1ie5 s THR 20 Ca -0.15 0.32 0.08 0.00 0.31 0.00 0.00 61.69 62.24 1ie5 s THR 20 Cb 0.05 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 72.24 1ie5 s THR 20 CO 0.19 0.13 0.45 -0.04 -0.69 0.00 0.00 174.62 174.66 1ie5 s MET 21 N 2.16 2.55 0.19 4.92 1.00 0.26 -4.97 119.30 125.41 1ie5 s MET 21 Ca 0.01 -1.52 -0.20 0.00 0.00 0.00 0.00 55.69 53.98 1ie5 s MET 21 Cb -0.12 -2.45 0.04 0.00 0.00 0.00 0.00 34.83 32.30 1ie5 s MET 21 CO -0.06 -0.29 0.57 0.54 0.00 0.00 0.00 175.02 175.77 1ie5 s ASN 22 N -4.22 -0.35 0.01 3.03 4.22 -1.26 -1.35 114.94 115.02 1ie5 s ASN 22 Ca 0.49 -0.34 -0.28 0.00 -2.14 0.00 0.00 52.86 50.59 1ie5 s ASN 22 Cb -0.05 0.60 0.08 0.00 1.28 0.00 0.00 41.25 43.16 1ie5 s ASN 22 CO 0.29 -1.06 0.72 0.00 -2.04 0.00 0.00 177.10 175.01 1ie5 s ALA 23 N -3.84 -1.74 -0.50 3.54 0.00 -1.24 -4.97 121.76 113.01 1ie5 s ALA 23 Ca 0.07 1.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 1ie5 s ALA 23 Cb -0.02 0.25 0.08 0.00 0.00 0.00 0.00 23.12 23.43 1ie5 s ALA 23 CO -0.05 -0.53 0.49 0.99 0.00 0.00 0.00 175.76 176.65 1ie5 s THR 24 N -2.24 5.11 0.94 0.00 2.01 -1.26 -2.32 115.64 117.88 1ie5 s THR 24 Ca -0.04 -0.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 1ie5 s THR 24 Cb -0.01 -4.22 0.16 0.00 0.01 0.00 0.00 72.50 68.44 1ie5 s THR 24 CO -0.01 -0.71 1.10 0.00 -0.69 0.00 0.00 174.62 174.31 1ie5 s ALA 25 N 1.96 1.32 0.00 7.40 0.00 0.56 -3.85 121.76 129.15 1ie5 s ALA 25 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1ie5 s ALA 25 Cb -0.24 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ie5 s ALA 25 CO 0.08 -2.55 0.00 0.09 0.00 0.00 0.00 175.76 173.38 1ie5 n ASN 26 N -3.99 0.00 -0.47 0.00 3.02 -1.26 -4.64 115.26 107.92 1ie5 n ASN 26 Ca 0.06 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.68 1ie5 n ASN 26 Cb 0.57 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.74 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 1.90 -3.63 3.41 4.77 -1.25 -5.02 117.00 117.17 1ie5 n LEU 27 Ca 0.00 -0.88 -0.24 0.00 -0.03 0.00 0.00 56.01 54.86 1ie5 n LEU 27 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1ie5 n LEU 27 CO 0.00 0.35 0.21 -1.20 -1.33 0.00 0.00 177.39 175.42 1ie5 n SER 28 N 0.35 -5.56 -4.71 -1.43 7.64 -1.25 -4.96 113.62 103.70 1ie5 n SER 28 Ca 0.07 -0.59 -0.33 0.00 1.01 0.00 0.00 58.87 59.03 1ie5 n SER 28 Cb 0.35 -4.85 0.11 0.00 -1.01 0.00 0.00 64.21 58.81 1ie5 n SER 28 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ie5 s GLN 29 N -6.25 1.85 -0.08 1.43 -0.21 -1.23 -3.81 119.66 111.36 1ie5 s GLN 29 Ca 0.52 1.67 -0.01 0.00 0.02 0.00 0.00 55.36 57.57 1ie5 s GLN 29 Cb -0.24 -1.81 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 1ie5 s GLN 29 CO 0.75 -2.03 -0.03 -1.12 -2.12 0.00 0.00 175.29 170.73 1ie5 s SER 30 N -2.28 4.94 -0.02 5.90 0.01 -1.26 -0.52 113.70 120.47 1ie5 s SER 30 Ca 0.72 0.06 0.01 0.00 1.31 0.00 0.00 55.95 58.04 1ie5 s SER 30 Cb -0.27 -1.34 0.02 0.00 0.21 0.00 0.00 66.02 64.64 1ie5 s SER 30 CO 0.49 0.36 -0.01 -0.69 0.41 0.00 0.00 173.24 173.80 1ie5 s VAL 31 N -0.79 0.22 -0.11 3.43 1.01 0.39 -4.99 120.40 119.56 1ie5 s VAL 31 Ca 0.12 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1ie5 s VAL 31 Cb -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1ie5 s VAL 31 CO 0.02 0.13 0.20 -0.89 0.00 0.00 0.00 175.10 174.57 1ie5 s THR 32 N 0.76 5.39 0.19 3.92 2.01 -1.26 -0.76 115.64 125.88 1ie5 s THR 32 Ca -0.08 0.36 -0.15 0.00 0.31 0.00 0.00 61.69 62.13 1ie5 s THR 32 Cb -0.11 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.93 1ie5 s THR 32 CO -0.01 0.57 0.46 -1.48 -0.69 0.00 0.00 174.62 173.47 1ie5 s LEU 33 N -0.73 0.31 -0.04 4.42 0.05 -0.70 -5.02 118.68 116.98 1ie5 s LEU 33 Ca 0.16 -0.58 -0.25 0.00 0.05 0.00 0.00 54.13 53.50 1ie5 s LEU 33 Cb -0.13 1.90 0.05 0.00 -2.05 0.00 0.00 46.19 45.97 1ie5 s LEU 33 CO 0.05 -1.01 0.56 0.00 -0.55 0.00 0.00 176.35 175.39 1ie5 s ALA 34 N -3.90 -1.44 -0.26 1.48 0.00 -1.26 -1.22 121.76 115.17 1ie5 s ALA 34 Ca 0.11 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 1ie5 s ALA 34 Cb 0.00 0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.26 1ie5 s ALA 34 CO -0.02 -0.33 0.33 0.00 0.00 0.00 0.00 175.76 175.74 1ie5 s ASP 36 N 2.45 7.11 0.02 0.00 -4.77 -0.31 -4.26 116.67 116.91 1ie5 s ASP 36 Ca 0.10 1.32 0.04 0.00 -3.30 0.00 0.00 52.55 50.71 1ie5 s ASP 36 Cb -0.15 -2.40 -0.03 0.00 -1.09 0.00 0.00 42.92 39.25 1ie5 s ASP 36 CO -0.22 0.15 -0.07 0.00 0.70 0.00 0.00 175.17 175.72 1ie5 s ALA 37 N -0.54 3.00 0.14 2.11 0.00 -0.88 -0.95 121.76 124.63 1ie5 s ALA 37 Ca 0.33 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 1ie5 s ALA 37 Cb -0.20 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 21.87 1ie5 s ALA 37 CO 0.20 0.62 0.38 0.34 0.00 0.00 0.00 175.76 177.30 1ie5 s ASP 38 N -1.58 -0.15 0.00 0.00 2.15 -0.99 -4.73 116.67 111.37 1ie5 s ASP 38 Ca 0.18 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.69 1ie5 s ASP 38 Cb -0.11 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 1ie5 s ASP 38 CO 0.09 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 1ie5 n GLY 39 N -0.22 0.34 2.67 2.66 0.00 -1.26 -0.72 105.19 108.65 1ie5 n GLY 39 Ca -0.13 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.06 0.72 1.61 0.08 -1.12 -2.92 117.98 114.30 1ie5 s PHE 40 Ca 0.00 -0.20 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 1ie5 s PHE 40 Cb 0.00 -0.57 0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1ie5 s PHE 40 CO 0.00 -0.66 1.23 -2.14 -0.10 0.00 0.00 175.22 173.55 1ie5 s PRO 41 N 2.23 2.15 0.40 0.24 0.02 -1.26 -0.50 135.00 138.29 1ie5 s PRO 41 Ca 0.06 1.85 -0.25 0.00 0.02 0.00 0.00 61.00 62.68 1ie5 s PRO 41 Cb -0.16 -1.82 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 1ie5 s PRO 41 CO -0.19 -1.85 1.08 -0.85 -0.33 0.00 0.00 177.00 174.87 1ie5 n GLU 42 N -2.60 1.53 -2.59 5.54 0.28 -1.15 -4.86 120.64 116.78 1ie5 n GLU 42 Ca 0.14 0.54 -0.24 0.00 -0.16 0.00 0.00 57.16 57.44 1ie5 n GLU 42 Cb 0.50 -2.11 0.03 0.00 1.43 0.00 0.00 31.44 31.29 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 -1.98 2.76 -0.18 3.44 0.04 -1.26 -4.93 135.00 132.88 1ie5 s PRO 43 Ca 0.61 -0.36 -0.10 0.00 0.04 0.00 0.00 61.00 61.19 1ie5 s PRO 43 Cb -0.57 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1ie5 s PRO 43 CO 0.58 -0.66 0.16 0.99 0.04 0.00 0.00 177.00 178.11 1ie5 s THR 44 N -2.85 5.40 0.03 1.26 2.01 0.04 -4.92 115.64 116.61 1ie5 s THR 44 Ca 0.54 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.81 1ie5 s THR 44 Cb -0.10 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 1ie5 s THR 44 CO 0.41 0.46 -0.06 0.00 -0.69 0.00 0.00 174.62 174.74 1ie5 s MET 45 N 0.19 0.45 0.25 4.92 0.23 -1.26 -0.85 119.30 123.23 1ie5 s MET 45 Ca 0.10 -0.69 -0.10 0.00 -1.03 0.00 0.00 55.69 53.97 1ie5 s MET 45 Cb -0.11 -0.16 -0.01 0.00 -1.53 0.00 0.00 34.83 33.02 1ie5 s MET 45 CO -0.00 0.02 0.44 0.95 -2.03 0.00 0.00 175.02 174.40 1ie5 s THR 46 N -1.36 0.00 0.11 3.16 -4.23 -0.46 -4.98 115.64 107.89 1ie5 s THR 46 Ca -0.12 -1.49 -0.18 0.00 -1.18 0.00 0.00 61.69 58.72 1ie5 s THR 46 Cb -0.10 -2.30 0.04 0.00 1.34 0.00 0.00 72.50 71.48 1ie5 s THR 46 CO -0.00 0.00 0.44 -1.66 -0.54 0.00 0.00 174.62 172.86 1ie5 s TRP 47 N -3.90 -0.28 0.21 3.99 1.48 -1.26 -1.35 118.94 117.83 1ie5 s TRP 47 Ca 0.25 0.05 0.11 0.00 -1.06 0.00 0.00 56.10 55.45 1ie5 s TRP 47 Cb 0.00 0.30 -0.04 0.00 -1.16 0.00 0.00 33.47 32.57 1ie5 s TRP 47 CO 0.11 -0.70 -0.17 0.95 -4.06 0.00 0.00 176.95 173.07 1ie5 s THR 48 N -3.49 2.69 -0.78 0.66 -4.23 -0.76 -0.03 115.64 109.71 1ie5 s THR 48 Ca 0.01 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1ie5 s THR 48 Cb 0.01 -2.34 0.37 0.00 1.34 0.00 0.00 72.50 71.87 1ie5 s THR 48 CO -0.10 -0.20 1.90 1.17 -0.54 0.00 0.00 174.62 176.86 1ie5 n LYS 49 N -0.08 2.84 -2.10 3.99 3.00 0.19 -3.95 118.16 122.06 1ie5 n LYS 49 Ca -0.10 -3.64 -0.16 0.00 -0.00 0.00 0.00 58.31 54.41 1ie5 n LYS 49 Cb 0.57 -2.27 -0.03 0.00 0.00 0.00 0.00 35.03 33.30 1ie5 n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ie5 n ASP 50 N -0.55 -4.64 0.00 3.14 2.03 -1.17 -4.39 116.55 110.97 1ie5 n ASP 50 Ca 0.52 0.20 0.00 0.00 0.52 0.00 0.00 54.79 56.03 1ie5 n ASP 50 Cb 0.32 -4.00 0.00 0.00 -0.72 0.00 0.00 41.12 36.72 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 -0.70 0.00 3.39 0.27 0.00 -1.26 -4.98 105.19 101.91 1ie5 n GLY 51 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 1.21 0.52 1.61 -1.05 -1.26 -5.16 118.70 114.58 1ie5 s GLU 52 Ca 0.00 -0.58 -0.21 0.00 -0.15 0.00 0.00 54.97 54.03 1ie5 s GLU 52 Cb 0.00 0.54 -0.06 0.00 -0.44 0.00 0.00 34.13 34.17 1ie5 s GLU 52 CO 0.00 -0.51 1.17 -2.14 0.95 0.00 0.00 175.26 174.72 1ie5 s PRO 53 N -3.78 3.42 -0.74 -4.83 0.02 -1.26 -0.63 135.00 127.20 1ie5 s PRO 53 Ca 0.02 1.74 -0.02 0.00 0.02 0.00 0.00 61.00 62.76 1ie5 s PRO 53 Cb -0.00 -2.14 0.40 0.00 0.02 0.00 0.00 34.50 32.78 1ie5 s PRO 53 CO -0.12 -0.82 1.99 -0.89 -0.33 0.00 0.00 177.00 176.83 1ie5 n ILE 54 N -1.05 3.56 -1.68 2.83 5.41 0.96 -4.80 119.36 124.60 1ie5 n ILE 54 Ca 0.10 -3.65 -0.45 0.00 1.00 0.00 0.00 62.75 59.76 1ie5 n ILE 54 Cb 0.49 -1.20 -0.04 0.00 -0.71 0.00 0.00 39.64 38.19 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 -0.73 2.52 0.19 0.38 0.28 -1.26 -4.67 120.64 117.35 1ie5 n GLU 55 Ca 0.58 0.92 0.14 0.00 -0.16 0.00 0.00 57.16 58.64 1ie5 n GLU 55 Cb 0.47 -2.79 0.63 0.00 1.43 0.00 0.00 31.44 31.19 1ie5 n GLU 55 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1ie5 h GLN 56 N 8.57 0.00 -0.00 3.44 7.50 -1.95 -2.12 115.11 130.54 1ie5 h GLN 56 Ca -0.47 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.68 1ie5 h GLN 56 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.77 1ie5 h GLN 56 CO 0.94 0.00 -0.87 0.39 -1.50 0.00 0.00 178.83 177.79 1ie5 n GLU 57 N -2.53 0.28 0.00 1.46 4.71 -1.26 -4.65 120.64 118.65 1ie5 n GLU 57 Ca 0.01 -0.23 0.00 0.00 -0.01 0.00 0.00 57.16 56.92 1ie5 n GLU 57 Cb 0.19 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1ie5 n ASP 58 N -1.16 0.00 -1.30 1.62 2.03 -1.21 -4.92 116.55 111.62 1ie5 n ASP 58 Ca 0.05 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.45 1ie5 n ASP 58 Cb 0.36 0.00 0.30 0.00 -0.72 0.00 0.00 41.12 41.06 1ie5 n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ie5 n ASN 59 N -0.11 3.80 -0.06 1.67 5.15 -0.80 -4.66 115.26 120.25 1ie5 n ASN 59 Ca 0.00 -2.19 0.00 0.00 -0.60 0.00 0.00 54.58 51.79 1ie5 n ASN 59 Cb 0.00 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 1ie5 n ASN 59 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ie5 n GLU 60 N 1.17 0.59 0.27 1.20 2.13 -1.26 -4.42 120.64 120.32 1ie5 n GLU 60 Ca 0.22 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.18 1ie5 n GLU 60 Cb 0.66 -1.03 0.74 0.00 0.27 0.00 0.00 31.44 32.08 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 0.05 0.00 -0.30 5.31 4.11 -1.96 -2.99 114.58 118.80 1ie5 h GLU 61 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 1ie5 h GLU 61 Cb 0.03 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.06 1ie5 h GLU 61 CO 0.00 0.00 -0.60 0.36 0.07 0.00 0.00 179.01 178.84 1ie5 n LYS 62 N -2.64 1.18 -3.84 1.06 2.85 -1.26 -5.09 118.16 110.43 1ie5 n LYS 62 Ca -0.02 -2.24 -0.09 0.00 -1.05 0.00 0.00 58.31 54.91 1ie5 n LYS 62 Cb 0.28 -0.40 -0.03 0.00 -0.65 0.00 0.00 35.03 34.23 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 -0.79 -0.04 -0.10 5.58 -0.85 -1.13 -1.23 117.35 118.78 1ie5 s TYR 63 Ca 0.23 -0.35 -0.25 0.00 -0.52 0.00 0.00 57.07 56.19 1ie5 s TYR 63 Cb 0.42 0.46 0.06 0.00 0.38 0.00 0.00 41.96 43.28 1ie5 s TYR 63 CO -0.05 -1.05 0.60 -1.54 -1.52 0.00 0.00 175.55 171.99 1ie5 s SER 64 N -2.92 -0.57 0.30 -0.18 1.04 -0.91 -4.92 113.70 105.53 1ie5 s SER 64 Ca 0.13 0.78 -0.11 0.00 0.48 0.00 0.00 55.95 57.23 1ie5 s SER 64 Cb -0.03 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.84 1ie5 s SER 64 CO 0.03 -0.45 0.54 0.72 0.98 0.00 0.00 173.24 175.06 1ie5 s PHE 65 N -0.72 0.48 0.12 5.02 -0.71 -1.26 -1.11 117.98 119.80 1ie5 s PHE 65 Ca -0.08 -0.86 0.01 0.00 -1.04 0.00 0.00 56.93 54.96 1ie5 s PHE 65 Cb -0.02 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 42.05 1ie5 s PHE 65 CO 0.06 -1.13 0.12 0.27 -1.34 0.00 0.00 175.22 173.19 1ie5 n ASN 66 N -0.82 1.11 -4.74 1.98 6.94 -1.14 -5.05 115.26 113.53 1ie5 n ASN 66 Ca -0.02 -1.40 -0.32 0.00 -0.02 0.00 0.00 54.58 52.83 1ie5 n ASN 66 Cb 0.61 -0.03 0.10 0.00 -2.36 0.00 0.00 39.78 38.10 1ie5 n ASN 66 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1ie5 s TYR 67 N -0.36 2.33 0.00 -2.53 -0.85 -1.26 -3.30 117.35 111.38 1ie5 s TYR 67 Ca 0.09 1.61 0.00 0.00 -0.52 0.00 0.00 57.07 58.25 1ie5 s TYR 67 Cb -0.01 -3.17 0.00 0.00 0.38 0.00 0.00 41.96 39.16 1ie5 s TYR 67 CO 0.06 -2.07 0.00 -0.25 -1.52 0.00 0.00 175.55 171.77 1ie5 n ASP 68 N -3.40 -3.49 -2.82 -0.18 8.00 -1.26 -3.26 116.55 110.14 1ie5 n ASP 68 Ca 0.10 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.43 1ie5 n ASP 68 Cb 0.52 -2.44 -0.00 0.00 -0.02 0.00 0.00 41.12 39.19 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 -0.69 -0.50 0.01 0.44 0.00 -1.21 -2.07 105.19 101.17 1ie5 n GLY 69 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ie5 n GLY 69 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ie5 h SER 70 N -0.48 0.00 -3.67 1.61 0.87 -1.73 -3.43 113.55 106.72 1ie5 h SER 70 Ca -0.36 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.62 1ie5 h SER 70 Cb 1.25 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.13 1ie5 h SER 70 CO 0.43 0.06 0.75 -1.61 -0.53 0.00 0.00 176.83 175.93 1ie5 s GLU 71 N -1.08 3.65 -0.20 2.24 2.02 -1.26 -2.53 118.70 121.55 1ie5 s GLU 71 Ca -0.01 0.39 -0.07 0.00 0.02 0.00 0.00 54.97 55.30 1ie5 s GLU 71 Cb 0.00 -3.91 -0.04 0.00 0.10 0.00 0.00 34.13 30.28 1ie5 s GLU 71 CO 0.01 -1.28 0.07 -1.17 0.02 0.00 0.00 175.26 172.91 1ie5 s LEU 72 N 4.08 3.75 -0.28 1.80 2.96 -0.36 -2.91 118.68 127.72 1ie5 s LEU 72 Ca 0.42 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 54.29 1ie5 s LEU 72 Cb -0.09 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1ie5 s LEU 72 CO 0.28 0.13 0.06 -0.63 -1.32 0.00 0.00 176.35 174.87 1ie5 s ILE 73 N 0.66 3.91 -0.08 6.68 1.01 -0.26 -1.72 121.20 131.40 1ie5 s ILE 73 Ca 0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 1ie5 s ILE 73 Cb -0.13 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1ie5 s ILE 73 CO 0.02 0.16 0.07 -0.63 0.00 0.00 0.00 174.94 174.55 1ie5 s ILE 74 N 1.51 4.82 0.27 2.92 1.01 0.06 -2.15 121.20 129.63 1ie5 s ILE 74 Ca 0.03 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.63 1ie5 s ILE 74 Cb -0.17 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1ie5 s ILE 74 CO 0.02 0.55 0.17 -0.54 0.00 0.00 0.00 174.94 175.14 1ie5 s LYS 75 N -1.13 2.79 -1.32 2.79 -0.14 -0.37 -0.46 119.74 121.90 1ie5 s LYS 75 Ca 0.16 -1.15 -0.03 0.00 -1.36 0.00 0.00 55.97 53.59 1ie5 s LYS 75 Cb -0.12 -2.48 0.01 0.00 -1.68 0.00 0.00 37.83 33.57 1ie5 s LYS 75 CO 0.06 0.36 0.86 1.63 -0.76 0.00 0.00 175.35 177.49 1ie5 n LYS 76 N -1.15 -5.73 -2.01 1.68 4.76 -0.77 -4.92 118.16 110.01 1ie5 n LYS 76 Ca -0.07 0.69 -0.40 0.00 -2.87 0.00 0.00 58.31 55.67 1ie5 n LYS 76 Cb 0.58 -5.46 -0.00 0.00 -1.84 0.00 0.00 35.03 28.30 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ie5 s VAL 77 N -3.51 2.53 0.22 -0.18 1.01 0.32 -4.82 120.40 115.97 1ie5 s VAL 77 Ca 0.15 0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.56 1ie5 s VAL 77 Cb -0.07 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1ie5 s VAL 77 CO 0.79 0.08 0.39 -0.67 0.00 0.00 0.00 175.10 175.69 1ie5 n ASP 78 N 0.20 -1.13 0.16 3.32 2.03 -1.26 -3.58 116.55 116.30 1ie5 n ASP 78 Ca 0.03 -1.99 0.12 0.00 0.52 0.00 0.00 54.79 53.47 1ie5 n ASP 78 Cb 0.43 1.94 0.65 0.00 -0.72 0.00 0.00 41.12 43.42 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 0.02 -0.00 -0.67 1.57 -1.94 -0.70 116.57 114.85 1ie5 h LYS 79 Ca -0.18 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1ie5 h LYS 79 Cb 0.71 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1ie5 h LYS 79 CO 0.23 0.01 -0.14 -1.13 -0.57 0.00 0.00 179.45 177.86 1ie5 n SER 80 N -4.48 0.48 -0.27 0.86 3.41 -1.26 -3.93 113.62 108.42 1ie5 n SER 80 Ca 0.02 -0.49 0.12 0.00 -0.26 0.00 0.00 58.87 58.26 1ie5 n SER 80 Cb 0.27 -0.07 0.20 0.00 -0.26 0.00 0.00 64.21 64.35 1ie5 n SER 80 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ie5 n ASP 81 N -1.01 1.27 -4.59 4.04 2.03 -0.27 -4.96 116.55 113.06 1ie5 n ASP 81 Ca 0.13 -1.02 -0.46 0.00 0.52 0.00 0.00 54.79 53.97 1ie5 n ASP 81 Cb 0.29 0.34 -0.02 0.00 -0.72 0.00 0.00 41.12 41.01 1ie5 n ASP 81 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ie5 n GLU 82 N -0.64 1.35 -3.54 -0.67 2.13 -1.25 -4.95 120.64 113.07 1ie5 n GLU 82 Ca 0.10 0.48 -0.10 0.00 0.66 0.00 0.00 57.16 58.29 1ie5 n GLU 82 Cb 0.38 -1.90 -0.02 0.00 0.27 0.00 0.00 31.44 30.18 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 -0.77 -1.52 -0.31 4.31 0.00 -1.13 -4.91 121.76 117.43 1ie5 s ALA 83 Ca 0.63 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1ie5 s ALA 83 Cb -0.74 0.84 0.09 0.00 0.00 0.00 0.00 23.12 23.32 1ie5 s ALA 83 CO 0.57 -0.84 0.03 -2.00 0.00 0.00 0.00 175.76 173.52 1ie5 s GLU 84 N -3.74 1.42 -1.19 0.00 2.12 -1.26 -1.20 118.70 114.85 1ie5 s GLU 84 Ca 0.04 -1.52 -0.16 0.00 0.36 0.00 0.00 54.97 53.69 1ie5 s GLU 84 Cb -0.02 -2.83 0.13 0.00 0.26 0.00 0.00 34.13 31.67 1ie5 s GLU 84 CO -0.07 -0.86 1.49 0.71 -0.54 0.00 0.00 175.26 175.99 1ie5 s TYR 85 N 1.15 3.16 -0.11 5.30 2.02 0.39 -3.06 117.35 126.20 1ie5 s TYR 85 Ca 0.06 -1.80 -0.30 0.00 -0.37 0.00 0.00 57.07 54.67 1ie5 s TYR 85 Cb -0.19 -4.48 -0.03 0.00 -0.40 0.00 0.00 41.96 36.87 1ie5 s TYR 85 CO -0.11 -1.58 1.29 0.42 -1.57 0.00 0.00 175.55 174.00 1ie5 s ILE 86 N 2.78 4.17 -0.08 2.71 1.01 -1.25 -1.22 121.20 129.31 1ie5 s ILE 86 Ca 0.45 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.55 1ie5 s ILE 86 Cb -0.01 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1ie5 s ILE 86 CO 0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 174.94 174.80 1ie5 s ILE 88 N -0.64 0.21 0.02 0.00 1.01 -0.46 -0.77 121.20 120.57 1ie5 s ILE 88 Ca 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1ie5 s ILE 88 Cb -0.12 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 1ie5 s ILE 88 CO 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 174.94 174.90 1ie5 s ALA 89 N -0.26 0.22 -0.07 9.38 0.00 -0.37 -1.35 121.76 129.31 1ie5 s ALA 89 Ca -0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 1ie5 s ALA 89 Cb -0.02 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1ie5 s ALA 89 CO -0.00 -0.08 0.19 -2.00 0.00 0.00 0.00 175.76 173.87 1ie5 s GLU 90 N -1.13 0.23 0.02 0.00 2.12 -0.03 -0.70 118.70 119.22 1ie5 s GLU 90 Ca -0.11 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.48 1ie5 s GLU 90 Cb -0.08 0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.43 1ie5 s GLU 90 CO -0.00 -0.03 0.02 0.27 -0.54 0.00 0.00 175.26 174.98 1ie5 n ASN 91 N 2.93 -0.06 0.27 -1.70 6.94 -0.37 -0.78 115.26 122.50 1ie5 n ASN 91 Ca -0.13 -1.13 0.15 0.00 -0.02 0.00 0.00 54.58 53.45 1ie5 n ASN 91 Cb 0.59 0.12 0.74 0.00 -2.36 0.00 0.00 39.78 38.87 1ie5 n ASN 91 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1ie5 h LYS 92 N 0.00 0.00 0.00 -3.83 -0.00 -1.93 -3.19 116.57 107.63 1ie5 h LYS 92 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 60.65 60.45 1ie5 h LYS 92 Cb 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.27 1ie5 h LYS 92 CO 0.02 0.10 -1.65 0.00 -0.00 0.00 0.00 179.45 177.91 1ie5 n ALA 93 N -2.20 1.95 0.00 0.07 0.00 -1.26 -5.09 120.51 113.98 1ie5 n ALA 93 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1ie5 n ALA 93 Cb 0.26 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.44 -0.56 3.19 0.00 0.00 -1.21 -4.63 105.19 103.42 1ie5 n GLY 94 Ca -0.13 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.53 0.57 0.21 1.61 2.12 -1.26 -1.23 118.70 120.18 1ie5 s GLU 95 Ca 0.00 -0.15 -0.12 0.00 0.36 0.00 0.00 54.97 55.06 1ie5 s GLU 95 Cb 0.00 0.25 -0.00 0.00 0.26 0.00 0.00 34.13 34.64 1ie5 s GLU 95 CO 0.00 -0.14 0.42 -1.14 -0.54 0.00 0.00 175.26 173.85 1ie5 s GLN 96 N -1.10 1.38 0.09 4.30 2.00 0.12 -4.78 119.66 121.69 1ie5 s GLN 96 Ca -0.12 -1.16 -0.22 0.00 -2.00 0.00 0.00 55.36 51.87 1ie5 s GLN 96 Cb -0.05 0.45 0.06 0.00 0.80 0.00 0.00 33.01 34.26 1ie5 s GLN 96 CO 0.03 -0.55 0.53 0.16 -0.50 0.00 0.00 175.29 174.96 1ie5 s ASP 97 N -2.98 -0.45 0.38 6.67 -4.77 -1.26 -1.23 116.67 113.03 1ie5 s ASP 97 Ca 0.18 0.05 -0.09 0.00 -3.30 0.00 0.00 52.55 49.39 1ie5 s ASP 97 Cb 0.01 0.53 0.03 0.00 -1.09 0.00 0.00 42.92 42.40 1ie5 s ASP 97 CO 0.04 -0.82 0.66 0.00 0.70 0.00 0.00 175.17 175.74 1ie5 s ALA 98 N -3.08 0.02 -0.10 2.11 0.00 0.05 -4.86 121.76 115.90 1ie5 s ALA 98 Ca -0.02 -1.15 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 1ie5 s ALA 98 Cb -0.00 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.03 1ie5 s ALA 98 CO -0.07 -0.90 0.25 0.99 0.00 0.00 0.00 175.76 176.04 1ie5 s THR 99 N -2.48 -0.02 0.30 0.00 2.01 -1.26 -0.63 115.64 113.56 1ie5 s THR 99 Ca 0.23 0.06 0.11 0.00 0.31 0.00 0.00 61.69 62.39 1ie5 s THR 99 Cb -0.03 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1ie5 s THR 99 CO 0.16 0.02 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.38 1ie5 s ILE 100 N 0.59 2.68 0.26 1.82 1.01 -0.36 -4.82 121.20 122.38 1ie5 s ILE 100 Ca -0.04 -2.20 0.11 0.00 0.00 0.00 0.00 60.65 58.52 1ie5 s ILE 100 Cb -0.05 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1ie5 s ILE 100 CO -0.03 -0.33 -0.19 -1.00 0.00 0.00 0.00 174.94 173.39 1ie5 s HIS 101 N -2.49 2.13 -0.25 3.97 3.76 -0.39 -0.46 115.29 121.57 1ie5 s HIS 101 Ca 0.31 -0.40 -0.03 0.00 -0.15 0.00 0.00 55.06 54.80 1ie5 s HIS 101 Cb -0.03 -0.94 0.11 0.00 1.11 0.00 0.00 32.58 32.83 1ie5 s HIS 101 CO 0.17 0.62 0.23 -1.17 -0.85 0.00 0.00 174.74 173.74 1ie5 s LEU 102 N -3.44 -0.05 -0.33 0.89 2.96 -0.34 -0.58 118.68 117.79 1ie5 s LEU 102 Ca 0.28 -0.63 -0.13 0.00 -0.22 0.00 0.00 54.13 53.43 1ie5 s LEU 102 Cb -0.04 0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.93 1ie5 s LEU 102 CO 0.13 -0.37 0.24 -0.54 -1.32 0.00 0.00 176.35 174.49 1ie5 s LYS 103 N 2.30 3.56 -0.12 1.98 1.02 -0.46 -2.84 119.74 125.17 1ie5 s LYS 103 Ca 0.08 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.45 1ie5 s LYS 103 Cb -0.15 -3.79 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1ie5 s LYS 103 CO -0.25 -0.41 0.01 0.08 -0.92 0.00 0.00 175.35 173.86 1ie5 s VAL 104 N 1.74 4.34 0.26 3.17 1.01 -1.26 -3.64 120.40 126.01 1ie5 s VAL 104 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1ie5 s VAL 104 Cb -0.17 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1ie5 s VAL 104 CO 0.11 0.55 0.02 0.72 0.00 0.00 0.00 175.10 176.49 1ie5 s PHE 105 N -0.31 1.66 -0.23 5.22 -0.12 -0.98 -4.99 117.98 118.23 1ie5 s PHE 105 Ca 0.07 -0.95 0.13 0.00 -0.05 0.00 0.00 56.93 56.12 1ie5 s PHE 105 Cb -0.12 -0.99 0.45 0.00 -0.63 0.00 0.00 43.02 41.73 1ie5 s PHE 105 CO 0.02 -0.05 1.18 0.00 -0.05 0.00 0.00 175.22 176.32 1ie5 n ALA 106 N -0.49 3.93 -1.92 1.99 0.00 -1.26 -0.32 120.51 122.44 1ie5 n ALA 106 Ca -0.04 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.08 1ie5 n ALA 106 Cb 0.65 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1ie5 n ALA 106 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86