#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 1.65 0.13 1.61 -2.85 -1.26 -5.10 119.74 113.91 1ie5 s LYS 2 Ca 0.00 -0.99 -0.02 0.00 -1.00 0.00 0.00 55.97 53.97 1ie5 s LYS 2 Cb 0.00 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.29 1ie5 s LYS 2 CO 0.00 -0.73 0.31 0.34 0.10 0.00 0.00 175.35 175.37 1ie5 s ASP 3 N -2.92 6.41 0.06 0.03 2.15 -1.26 -4.92 116.67 116.22 1ie5 s ASP 3 Ca 0.12 0.41 0.04 0.00 0.43 0.00 0.00 52.55 53.55 1ie5 s ASP 3 Cb -0.04 -2.02 -0.03 0.00 -0.30 0.00 0.00 42.92 40.54 1ie5 s ASP 3 CO 0.05 0.07 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.37 1ie5 s ILE 4 N -1.66 0.94 -0.07 4.11 1.01 -1.26 -5.05 121.20 119.22 1ie5 s ILE 4 Ca 0.38 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1ie5 s ILE 4 Cb -0.12 -0.91 0.10 0.00 0.01 0.00 0.00 42.46 41.53 1ie5 s ILE 4 CO 0.27 -0.22 1.23 0.00 0.00 0.00 0.00 174.94 176.22 1ie5 n GLN 5 N 1.47 1.19 -3.63 2.79 6.02 -1.26 -4.75 117.38 119.21 1ie5 n GLN 5 Ca -0.21 -0.45 -0.16 0.00 -0.01 0.00 0.00 57.00 56.17 1ie5 n GLN 5 Cb 0.54 -1.18 -0.07 0.00 1.02 0.00 0.00 30.24 30.56 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 -0.51 0.03 -1.10 5.09 1.01 -1.26 -5.10 120.40 118.55 1ie5 s VAL 6 Ca 0.09 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1ie5 s VAL 6 Cb 0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 1ie5 s VAL 6 CO 0.01 -0.11 1.77 -0.63 0.00 0.00 0.00 175.10 176.14 1ie5 s ILE 7 N -1.23 3.76 0.00 2.22 -1.09 -1.26 -4.28 121.20 119.32 1ie5 s ILE 7 Ca -0.12 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.30 1ie5 s ILE 7 Cb -0.02 -4.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.14 1ie5 s ILE 7 CO 0.07 -1.48 0.00 0.52 -1.23 0.00 0.00 174.94 172.83 1ie5 n VAL 8 N 7.24 0.00 -1.49 2.92 0.31 -1.26 -4.95 118.33 121.10 1ie5 n VAL 8 Ca 0.42 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.41 1ie5 n VAL 8 Cb 0.48 -0.05 -0.05 0.00 -0.91 0.00 0.00 33.84 33.31 1ie5 n VAL 8 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ie5 n ASN 9 N -0.64 7.77 -4.67 4.52 6.94 -1.26 -4.59 115.26 123.32 1ie5 n ASN 9 Ca 0.00 -2.80 -0.42 0.00 -0.02 0.00 0.00 54.58 51.33 1ie5 n ASN 9 Cb 0.03 -1.44 -0.03 0.00 -2.36 0.00 0.00 39.78 35.98 1ie5 n ASN 9 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ie5 s VAL 10 N 0.48 3.68 0.93 3.53 1.01 -1.19 -4.76 120.40 124.08 1ie5 s VAL 10 Ca 0.63 0.94 -0.12 0.00 0.00 0.00 0.00 61.98 63.43 1ie5 s VAL 10 Cb 0.22 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 33.06 1ie5 s VAL 10 CO -0.08 -0.05 0.60 -2.65 0.00 0.00 0.00 175.10 172.92 1ie5 n PRO 11 N 6.33 -0.28 -2.35 2.72 -0.02 -1.26 -2.09 135.00 138.04 1ie5 n PRO 11 Ca 0.15 -0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 1ie5 n PRO 11 Cb 0.43 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1ie5 n PRO 11 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ie5 n PRO 12 N -2.25 3.49 -1.79 0.52 -0.04 -1.26 -4.06 135.00 129.62 1ie5 n PRO 12 Ca 0.08 -3.46 -0.42 0.00 -0.04 0.00 0.00 63.50 59.66 1ie5 n PRO 12 Cb 0.53 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 1ie5 n PRO 12 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ie5 n SER 13 N 4.45 3.97 -4.77 3.54 7.64 -0.61 -3.85 113.62 124.00 1ie5 n SER 13 Ca 0.41 -2.86 -0.41 0.00 1.01 0.00 0.00 58.87 57.03 1ie5 n SER 13 Cb 0.38 -1.65 -0.02 0.00 -1.01 0.00 0.00 64.21 61.90 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 3.11 2.85 0.30 0.44 0.11 -1.26 -4.15 120.40 121.79 1ie5 s VAL 14 Ca 0.47 0.84 0.03 0.00 -2.93 0.00 0.00 61.98 60.38 1ie5 s VAL 14 Cb 0.13 -3.53 -0.06 0.00 -1.53 0.00 0.00 36.38 31.40 1ie5 s VAL 14 CO -0.08 0.19 0.08 -0.13 -3.33 0.00 0.00 175.10 171.84 1ie5 s ARG 15 N -1.60 1.57 -0.21 1.54 0.52 -0.69 -4.34 118.95 115.73 1ie5 s ARG 15 Ca 0.49 -1.87 -0.14 0.00 -0.52 0.00 0.00 55.73 53.69 1ie5 s ARG 15 Cb -0.39 -0.58 -0.04 0.00 0.52 0.00 0.00 34.95 34.46 1ie5 s ARG 15 CO 0.50 -0.26 0.32 0.00 0.02 0.00 0.00 175.30 175.88 1ie5 s ALA 16 N -3.49 3.58 -0.46 2.13 0.00 -1.26 -1.38 121.76 120.87 1ie5 s ALA 16 Ca 0.36 -0.63 0.23 0.00 0.00 0.00 0.00 51.96 51.92 1ie5 s ALA 16 Cb 0.08 -2.52 0.99 0.00 0.00 0.00 0.00 23.12 21.66 1ie5 s ALA 16 CO 0.15 -0.24 1.69 -2.13 0.00 0.00 0.00 175.76 175.22 1ie5 n ARG 17 N 4.36 0.18 -3.49 0.00 0.63 -0.77 -4.76 116.66 112.80 1ie5 n ARG 17 Ca -0.11 0.45 -0.14 0.00 -0.92 0.00 0.00 57.85 57.14 1ie5 n ARG 17 Cb 0.51 -1.87 -0.04 0.00 0.45 0.00 0.00 32.46 31.52 1ie5 n ARG 17 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1ie5 s GLN 18 N -3.34 1.03 0.02 -0.14 0.00 -1.26 -5.04 119.66 110.93 1ie5 s GLN 18 Ca 0.03 -0.07 0.12 0.00 -0.00 0.00 0.00 55.36 55.45 1ie5 s GLN 18 Cb 0.09 0.48 -0.20 0.00 0.00 0.00 0.00 33.01 33.38 1ie5 s GLN 18 CO 0.35 -0.39 0.84 0.77 0.00 0.00 0.00 175.29 176.87 1ie5 h SER 19 N 2.48 0.00 -3.42 12.60 0.02 -1.88 -3.44 113.55 119.91 1ie5 h SER 19 Ca -0.27 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.57 1ie5 h SER 19 Cb 1.21 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.50 1ie5 h SER 19 CO 0.36 0.91 -0.25 -0.89 -1.14 0.00 0.00 176.83 175.82 1ie5 s THR 20 N -2.69 -0.02 0.40 -2.27 2.01 -1.26 -3.61 115.64 108.20 1ie5 s THR 20 Ca -0.03 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.11 1ie5 s THR 20 Cb 0.08 -0.63 -0.07 0.00 0.01 0.00 0.00 72.50 71.90 1ie5 s THR 20 CO 0.82 0.02 0.05 -0.04 -0.69 0.00 0.00 174.62 174.79 1ie5 s MET 21 N 1.06 2.05 0.21 4.92 -1.94 0.12 -4.97 119.30 120.75 1ie5 s MET 21 Ca -0.07 -1.96 -0.22 0.00 -1.71 0.00 0.00 55.69 51.73 1ie5 s MET 21 Cb -0.07 -1.79 0.05 0.00 2.01 0.00 0.00 34.83 35.03 1ie5 s MET 21 CO -0.09 -0.03 0.65 0.54 -0.01 0.00 0.00 175.02 176.08 1ie5 s ASN 22 N -3.76 -0.43 -0.06 3.03 4.22 -1.26 -0.64 114.94 116.04 1ie5 s ASN 22 Ca 0.37 -0.27 -0.29 0.00 -2.14 0.00 0.00 52.86 50.53 1ie5 s ASN 22 Cb 0.06 0.65 0.10 0.00 1.28 0.00 0.00 41.25 43.35 1ie5 s ASN 22 CO 0.19 -1.13 0.88 0.00 -2.04 0.00 0.00 177.10 175.01 1ie5 s ALA 23 N -3.82 -1.84 -0.46 3.54 0.00 -1.25 -4.94 121.76 112.99 1ie5 s ALA 23 Ca 0.05 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.08 1ie5 s ALA 23 Cb -0.03 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.11 1ie5 s ALA 23 CO -0.05 -0.51 0.48 0.99 0.00 0.00 0.00 175.76 176.67 1ie5 s THR 24 N -2.15 5.07 0.65 0.00 2.01 -1.26 -1.67 115.64 118.29 1ie5 s THR 24 Ca 0.00 -0.59 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 1ie5 s THR 24 Cb -0.01 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 1ie5 s THR 24 CO -0.03 -0.57 1.09 0.00 -0.69 0.00 0.00 174.62 174.42 1ie5 s ALA 25 N 2.14 2.54 0.00 7.40 0.00 0.17 -4.21 121.76 129.81 1ie5 s ALA 25 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1ie5 s ALA 25 Cb -0.20 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1ie5 s ALA 25 CO 0.11 -1.17 0.00 -1.71 0.00 0.00 0.00 175.76 172.99 1ie5 n ASN 26 N -2.42 0.00 -0.15 0.00 2.85 -1.10 -4.74 115.26 109.71 1ie5 n ASN 26 Ca 0.10 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.71 1ie5 n ASN 26 Cb 0.52 -0.79 0.73 0.00 1.24 0.00 0.00 39.78 41.48 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ie5 n LEU 27 N 0.00 0.50 -1.69 1.20 4.77 -1.26 -4.95 117.00 115.58 1ie5 n LEU 27 Ca 0.00 -0.10 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 1ie5 n LEU 27 Cb 0.00 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1ie5 n LEU 27 CO 0.00 0.09 -0.20 -1.20 -1.33 0.00 0.00 177.39 174.75 1ie5 n SER 28 N -0.73 -5.26 -4.64 -1.43 7.64 -1.26 -5.00 113.62 102.93 1ie5 n SER 28 Ca 0.19 0.26 -0.29 0.00 1.01 0.00 0.00 58.87 60.04 1ie5 n SER 28 Cb 0.23 -4.35 0.14 0.00 -1.01 0.00 0.00 64.21 59.22 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 -4.11 1.11 0.11 1.43 -2.07 -1.26 -3.83 119.66 111.02 1ie5 s GLN 29 Ca 0.00 0.10 0.09 0.00 -1.82 0.00 0.00 55.36 53.74 1ie5 s GLN 29 Cb 0.00 -1.85 -0.04 0.00 -1.09 0.00 0.00 33.01 30.03 1ie5 s GLN 29 CO 0.00 -2.18 -0.24 -1.12 -1.32 0.00 0.00 175.29 170.43 1ie5 s SER 30 N -4.30 2.87 -0.13 12.60 0.01 -1.26 -1.62 113.70 121.86 1ie5 s SER 30 Ca 0.65 -0.69 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 1ie5 s SER 30 Cb -0.12 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 65.97 1ie5 s SER 30 CO 0.52 0.12 0.34 -0.69 0.41 0.00 0.00 173.24 173.95 1ie5 s VAL 31 N -1.07 -0.01 -0.05 3.43 1.01 0.14 -5.00 120.40 118.85 1ie5 s VAL 31 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1ie5 s VAL 31 Cb -0.10 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1ie5 s VAL 31 CO 0.05 0.01 -0.02 -0.89 0.00 0.00 0.00 175.10 174.24 1ie5 s THR 32 N 0.49 4.04 0.25 3.92 2.01 -1.26 -0.62 115.64 124.47 1ie5 s THR 32 Ca -0.02 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 1ie5 s THR 32 Cb -0.04 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 1ie5 s THR 32 CO -0.03 0.52 0.43 -1.48 -0.69 0.00 0.00 174.62 173.38 1ie5 s LEU 33 N -1.11 0.51 -0.16 4.42 0.05 -0.42 -5.00 118.68 116.96 1ie5 s LEU 33 Ca 0.15 -1.06 -0.28 0.00 0.05 0.00 0.00 54.13 52.99 1ie5 s LEU 33 Cb -0.11 1.56 0.07 0.00 -2.05 0.00 0.00 46.19 45.66 1ie5 s LEU 33 CO 0.05 -1.13 0.72 0.00 -0.55 0.00 0.00 176.35 175.44 1ie5 s ALA 34 N -3.90 -1.79 -0.73 1.48 0.00 -1.26 -0.80 121.76 114.76 1ie5 s ALA 34 Ca 0.26 1.68 0.03 0.00 0.00 0.00 0.00 51.96 53.93 1ie5 s ALA 34 Cb 0.00 -0.62 0.18 0.00 0.00 0.00 0.00 23.12 22.68 1ie5 s ALA 34 CO 0.11 -0.35 0.54 0.00 0.00 0.00 0.00 175.76 176.06 1ie5 s ASP 36 N -1.06 6.33 0.06 0.00 -4.77 -0.48 -4.41 116.67 112.33 1ie5 s ASP 36 Ca 0.25 1.10 -0.13 0.00 -3.30 0.00 0.00 52.55 50.47 1ie5 s ASP 36 Cb -0.07 -2.54 -0.06 0.00 -1.09 0.00 0.00 42.92 39.17 1ie5 s ASP 36 CO -0.14 -1.39 0.43 0.00 0.70 0.00 0.00 175.17 174.77 1ie5 s ALA 37 N 5.44 3.69 -0.01 2.11 0.00 -0.60 -1.70 121.76 130.68 1ie5 s ALA 37 Ca 0.65 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1ie5 s ALA 37 Cb -0.17 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1ie5 s ALA 37 CO 0.31 0.51 0.05 -0.51 0.00 0.00 0.00 175.76 176.11 1ie5 s ASP 38 N -1.47 -0.02 0.00 0.00 1.01 -1.26 -3.69 116.67 111.25 1ie5 s ASP 38 Ca 0.30 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.59 1ie5 s ASP 38 Cb -0.15 0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.89 1ie5 s ASP 38 CO 0.16 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.09 1ie5 n GLY 39 N 2.84 -1.43 3.26 0.21 0.00 -1.26 -1.57 105.19 107.25 1ie5 n GLY 39 Ca -0.14 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.81 -0.69 0.82 1.61 5.36 -0.89 -4.20 117.98 117.18 1ie5 s PHE 40 Ca 0.00 1.39 -0.11 0.00 -0.96 0.00 0.00 56.93 57.25 1ie5 s PHE 40 Cb 0.00 0.27 0.09 0.00 -0.34 0.00 0.00 43.02 43.04 1ie5 s PHE 40 CO 0.00 -0.41 1.09 -1.25 -1.46 0.00 0.00 175.22 173.19 1ie5 s PRO 41 N 2.01 1.84 -0.21 10.12 0.04 -1.26 -3.18 135.00 144.36 1ie5 s PRO 41 Ca -0.05 0.97 -0.15 0.00 0.04 0.00 0.00 61.00 61.81 1ie5 s PRO 41 Cb -0.10 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1ie5 s PRO 41 CO -0.13 -1.88 0.80 0.39 0.04 0.00 0.00 177.00 176.22 1ie5 n GLU 42 N -3.66 0.00 -1.20 4.56 4.71 -1.26 -4.83 120.64 118.97 1ie5 n GLU 42 Ca 0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.88 1ie5 n GLU 42 Cb 0.54 -0.53 0.09 0.00 -1.01 0.00 0.00 31.44 30.53 1ie5 n GLU 42 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1ie5 n PRO 43 N 2.73 0.26 -3.05 3.49 -0.02 -1.26 -4.99 135.00 132.16 1ie5 n PRO 43 Ca 0.20 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 1ie5 n PRO 43 Cb -0.01 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 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 -1.99 4.91 0.04 3.45 2.01 -0.37 -4.94 115.64 118.75 1ie5 s THR 44 Ca 0.68 1.13 0.01 0.00 0.31 0.00 0.00 61.69 63.81 1ie5 s THR 44 Cb -0.32 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 1ie5 s THR 44 CO 0.56 -0.09 -0.05 0.00 -0.69 0.00 0.00 174.62 174.35 1ie5 s MET 45 N 2.67 0.46 0.16 4.92 0.23 -1.26 -0.54 119.30 125.94 1ie5 s MET 45 Ca 0.28 -0.76 -0.12 0.00 -1.03 0.00 0.00 55.69 54.06 1ie5 s MET 45 Cb -0.15 -0.08 0.01 0.00 -1.53 0.00 0.00 34.83 33.07 1ie5 s MET 45 CO 0.10 -0.01 0.35 0.95 -2.03 0.00 0.00 175.02 174.39 1ie5 s THR 46 N -1.71 0.06 0.20 3.16 -4.23 -0.36 -4.60 115.64 108.17 1ie5 s THR 46 Ca -0.10 -1.13 -0.23 0.00 -1.18 0.00 0.00 61.69 59.05 1ie5 s THR 46 Cb -0.08 -1.66 0.05 0.00 1.34 0.00 0.00 72.50 72.14 1ie5 s THR 46 CO -0.01 -0.28 0.82 -1.66 -0.54 0.00 0.00 174.62 172.95 1ie5 s TRP 47 N -3.92 -0.21 0.11 3.99 1.48 -1.26 -0.80 118.94 118.33 1ie5 s TRP 47 Ca 0.12 -0.15 0.05 0.00 -1.06 0.00 0.00 56.10 55.06 1ie5 s TRP 47 Cb 0.02 0.66 -0.04 0.00 -1.16 0.00 0.00 33.47 32.95 1ie5 s TRP 47 CO -0.03 -0.99 -0.12 0.95 -4.06 0.00 0.00 176.95 172.70 1ie5 s THR 48 N -3.60 1.11 -0.86 0.66 -4.23 -0.60 -0.36 115.64 107.76 1ie5 s THR 48 Ca 0.10 -1.64 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1ie5 s THR 48 Cb -0.03 -1.40 0.35 0.00 1.34 0.00 0.00 72.50 72.75 1ie5 s THR 48 CO 0.02 -0.48 1.95 1.17 -0.54 0.00 0.00 174.62 176.75 1ie5 n LYS 49 N 0.60 3.27 -0.67 3.99 3.00 0.53 -3.88 118.16 125.01 1ie5 n LYS 49 Ca -0.16 -3.78 0.00 0.00 -0.00 0.00 0.00 58.31 54.37 1ie5 n LYS 49 Cb 0.57 -2.31 0.00 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 -0.45 0.00 0.00 3.14 2.03 -0.98 -4.27 116.55 116.01 1ie5 n ASP 50 Ca 0.52 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1ie5 n ASP 50 Cb 0.25 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 3.92 0.27 0.00 -1.26 -4.92 105.19 101.46 1ie5 n GLY 51 Ca 0.00 -0.00 -0.28 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 3.51 0.26 1.61 -1.05 -1.26 -5.01 118.70 116.76 1ie5 s GLU 52 Ca 0.00 -0.35 -0.27 0.00 -0.15 0.00 0.00 54.97 54.20 1ie5 s GLU 52 Cb 0.00 -2.89 -0.09 0.00 -0.44 0.00 0.00 34.13 30.71 1ie5 s GLU 52 CO 0.00 0.46 0.90 -1.25 0.95 0.00 0.00 175.26 176.32 1ie5 s PRO 53 N -3.08 4.66 -0.55 -4.83 0.04 -1.26 -0.35 135.00 129.63 1ie5 s PRO 53 Ca 0.38 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.75 1ie5 s PRO 53 Cb -0.11 -3.06 0.45 0.00 0.04 0.00 0.00 34.50 31.81 1ie5 s PRO 53 CO 0.28 0.43 1.77 -0.89 0.04 0.00 0.00 177.00 178.62 1ie5 n ILE 54 N 1.09 3.28 -2.55 0.56 5.41 0.51 -4.85 119.36 122.82 1ie5 n ILE 54 Ca -0.01 -3.38 -0.40 0.00 1.00 0.00 0.00 62.75 59.96 1ie5 n ILE 54 Cb 0.49 -1.16 -0.05 0.00 -0.71 0.00 0.00 39.64 38.21 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 -3.76 4.69 0.00 0.38 -1.05 -1.26 -4.45 118.70 113.25 1ie5 s GLU 55 Ca 0.60 1.72 0.15 0.00 -0.15 0.00 0.00 54.97 57.30 1ie5 s GLU 55 Cb 0.48 -3.22 0.92 0.00 -0.44 0.00 0.00 34.13 31.87 1ie5 s GLU 55 CO -0.00 0.28 1.35 1.04 0.95 0.00 0.00 175.26 178.88 1ie5 n GLN 56 N 1.32 0.59 0.00 -4.83 6.02 -1.26 -2.27 117.38 116.95 1ie5 n GLN 56 Ca -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.00 1ie5 n GLN 56 Cb 0.45 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.29 1ie5 n GLN 56 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ie5 n GLU 57 N -0.91 4.34 0.00 -1.09 1.02 -1.26 -4.87 120.64 117.88 1ie5 n GLU 57 Ca 0.12 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1ie5 n GLU 57 Cb 0.05 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.81 0.00 -3.90 1.62 2.03 -1.11 -5.10 116.55 109.28 1ie5 n ASP 58 Ca 0.01 -0.52 -0.26 0.00 0.52 0.00 0.00 54.79 54.54 1ie5 n ASP 58 Cb 0.08 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.31 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 2.01 0.00 1.67 0.01 -0.96 -4.97 114.94 112.69 1ie5 s ASN 59 Ca 0.00 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 1ie5 s ASN 59 Cb 0.00 -0.77 0.00 0.00 0.41 0.00 0.00 41.25 40.89 1ie5 s ASN 59 CO 0.00 -0.11 0.10 1.21 -1.51 0.00 0.00 177.10 176.79 1ie5 n GLU 60 N 4.82 0.00 -0.24 -0.60 2.13 -1.26 -4.70 120.64 120.79 1ie5 n GLU 60 Ca -0.13 0.00 0.31 0.00 0.66 0.00 0.00 57.16 58.00 1ie5 n GLU 60 Cb 0.50 0.00 0.74 0.00 0.27 0.00 0.00 31.44 32.95 1ie5 n GLU 60 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ie5 h GLU 61 N 0.00 0.00 -0.11 5.31 5.08 -2.01 -3.07 114.58 119.77 1ie5 h GLU 61 Ca 0.00 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1ie5 h GLU 61 Cb 0.93 -0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.00 1ie5 h GLU 61 CO 0.00 0.00 -0.44 0.36 -1.00 0.00 0.00 179.01 177.93 1ie5 n LYS 62 N -4.23 1.24 -3.47 2.33 2.85 -1.26 -5.12 118.16 110.49 1ie5 n LYS 62 Ca 0.21 -1.91 -0.12 0.00 -1.05 0.00 0.00 58.31 55.45 1ie5 n LYS 62 Cb 1.08 -0.13 -0.03 0.00 -0.65 0.00 0.00 35.03 35.31 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 -0.26 -0.49 0.00 5.58 1.13 -1.16 -1.17 117.35 120.99 1ie5 s TYR 63 Ca 0.20 0.43 -0.12 0.00 -1.41 0.00 0.00 57.07 56.17 1ie5 s TYR 63 Cb 0.41 0.53 0.02 0.00 -1.10 0.00 0.00 41.96 41.81 1ie5 s TYR 63 CO -0.08 -0.69 0.25 -1.54 -2.51 0.00 0.00 175.55 170.98 1ie5 s SER 64 N -2.34 -0.10 0.01 -0.18 1.04 -0.46 -4.74 113.70 106.92 1ie5 s SER 64 Ca 0.00 -0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 1ie5 s SER 64 Cb -0.01 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1ie5 s SER 64 CO -0.08 -0.46 0.01 2.22 0.98 0.00 0.00 173.24 175.92 1ie5 n PHE 65 N 1.16 -0.71 -4.07 5.02 1.16 -1.26 -0.68 117.46 118.07 1ie5 n PHE 65 Ca -0.21 -0.05 -0.11 0.00 -1.87 0.00 0.00 57.45 55.21 1ie5 n PHE 65 Cb 0.57 0.02 -0.06 0.00 -1.61 0.00 0.00 39.48 38.39 1ie5 n PHE 65 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1ie5 s ASN 66 N -1.05 0.25 0.00 5.98 2.20 -0.60 -5.01 114.94 116.71 1ie5 s ASN 66 Ca 0.01 -1.20 0.15 0.00 -0.94 0.00 0.00 52.86 50.88 1ie5 s ASN 66 Cb -0.00 0.56 -0.04 0.00 -2.00 0.00 0.00 41.25 39.76 1ie5 s ASN 66 CO 0.00 -1.11 0.79 -1.22 -2.94 0.00 0.00 177.10 172.62 1ie5 n TYR 67 N -0.41 0.00 -0.65 1.54 4.01 -1.26 -3.80 117.16 116.58 1ie5 n TYR 67 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1ie5 n TYR 67 Cb 0.63 0.00 0.37 0.00 -0.31 0.00 0.00 39.34 40.03 1ie5 n TYR 67 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1ie5 n ASP 68 N -0.44 4.93 0.00 7.72 2.03 -1.26 -4.62 116.55 124.91 1ie5 n ASP 68 Ca 0.06 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.87 1ie5 n ASP 68 Cb 0.30 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 1.13 -2.32 0.01 0.27 0.00 -1.24 -4.87 105.19 98.17 1ie5 n GLY 69 Ca 0.26 0.81 0.00 0.00 0.00 0.00 0.00 46.02 47.10 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 -0.08 0.00 -1.52 1.61 3.41 -1.25 -1.56 113.62 114.23 1ie5 n SER 70 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ie5 n SER 70 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ie5 n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ie5 n GLU 71 N -1.21 0.00 -2.66 4.33 4.71 -1.26 -1.56 120.64 122.98 1ie5 n GLU 71 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 1ie5 n GLU 71 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.41 1ie5 n GLU 71 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1ie5 s LEU 72 N -0.99 3.80 -0.23 -4.62 2.96 0.02 -4.32 118.68 115.31 1ie5 s LEU 72 Ca 0.00 0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 54.42 1ie5 s LEU 72 Cb 0.00 -3.48 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 1ie5 s LEU 72 CO 0.00 -1.07 0.19 -0.63 -1.32 0.00 0.00 176.35 173.52 1ie5 s ILE 73 N 4.02 5.34 -0.20 6.68 1.01 0.14 -1.30 121.20 136.89 1ie5 s ILE 73 Ca 0.45 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.34 1ie5 s ILE 73 Cb -0.09 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1ie5 s ILE 73 CO 0.25 0.33 -0.12 -0.63 0.00 0.00 0.00 174.94 174.77 1ie5 s ILE 74 N 1.09 2.79 0.26 2.92 1.01 0.21 -1.35 121.20 128.12 1ie5 s ILE 74 Ca 0.09 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 1ie5 s ILE 74 Cb -0.14 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1ie5 s ILE 74 CO 0.05 0.48 0.45 -1.59 0.00 0.00 0.00 174.94 174.33 1ie5 s LYS 75 N 1.30 3.52 -1.10 2.79 -2.85 -0.32 -0.68 119.74 122.40 1ie5 s LYS 75 Ca 0.04 -0.34 -0.08 0.00 -1.00 0.00 0.00 55.97 54.59 1ie5 s LYS 75 Cb -0.14 -2.77 -0.05 0.00 -2.06 0.00 0.00 37.83 32.81 1ie5 s LYS 75 CO -0.06 0.31 0.89 1.17 0.10 0.00 0.00 175.35 177.76 1ie5 n LYS 76 N -1.07 -2.69 -2.54 1.78 4.81 -0.67 -4.81 118.16 112.97 1ie5 n LYS 76 Ca -0.05 0.77 -0.39 0.00 -0.87 0.00 0.00 58.31 57.78 1ie5 n LYS 76 Cb 0.55 -5.48 -0.04 0.00 0.02 0.00 0.00 35.03 30.08 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ie5 s VAL 77 N -3.42 3.66 0.34 3.15 1.01 -0.64 -4.90 120.40 119.61 1ie5 s VAL 77 Ca 0.39 1.48 0.04 0.00 0.00 0.00 0.00 61.98 63.89 1ie5 s VAL 77 Cb -0.07 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1ie5 s VAL 77 CO 0.77 0.21 0.37 -0.62 0.00 0.00 0.00 175.10 175.83 1ie5 s ASP 78 N -1.22 1.41 0.00 3.32 -1.08 -1.26 -2.69 116.67 115.14 1ie5 s ASP 78 Ca 0.50 -1.67 0.11 0.00 -0.52 0.00 0.00 52.55 50.98 1ie5 s ASP 78 Cb -0.27 0.61 0.51 0.00 -1.46 0.00 0.00 42.92 42.31 1ie5 s ASP 78 CO 0.34 -1.18 1.32 0.29 0.52 0.00 0.00 175.17 176.46 1ie5 n LYS 79 N -0.61 0.06 0.00 4.34 5.02 -1.26 -1.30 118.16 124.41 1ie5 n LYS 79 Ca 0.05 0.26 0.09 0.00 -2.02 0.00 0.00 58.31 56.69 1ie5 n LYS 79 Cb 0.62 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 34.51 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 -1.42 0.00 -0.07 4.39 3.41 -1.26 -2.56 113.62 116.11 1ie5 n SER 80 Ca 0.04 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1ie5 n SER 80 Cb 0.11 -0.50 0.32 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.50 0.61 -4.66 4.04 8.00 -0.42 -4.92 116.55 117.70 1ie5 n ASP 81 Ca 0.04 -0.40 -0.47 0.00 0.71 0.00 0.00 54.79 54.67 1ie5 n ASP 81 Cb 0.21 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.43 1ie5 n ASP 81 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ie5 n GLU 82 N -1.25 2.18 -3.44 -1.24 2.13 -1.06 -4.89 120.64 113.07 1ie5 n GLU 82 Ca 0.08 0.78 -0.12 0.00 0.66 0.00 0.00 57.16 58.55 1ie5 n GLU 82 Cb 0.34 -2.73 -0.03 0.00 0.27 0.00 0.00 31.44 29.29 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 4.70 -1.57 -0.37 4.31 0.00 -1.19 -4.92 121.76 122.71 1ie5 s ALA 83 Ca 0.94 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 53.34 1ie5 s ALA 83 Cb -0.64 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1ie5 s ALA 83 CO 0.49 -0.72 0.18 -2.00 0.00 0.00 0.00 175.76 173.71 1ie5 s GLU 84 N -3.50 2.76 -1.25 0.00 2.12 -1.26 -1.00 118.70 116.56 1ie5 s GLU 84 Ca -0.00 -1.12 -0.12 0.00 0.36 0.00 0.00 54.97 54.09 1ie5 s GLU 84 Cb -0.01 -3.67 0.16 0.00 0.26 0.00 0.00 34.13 30.87 1ie5 s GLU 84 CO -0.11 -0.70 1.66 0.66 -0.54 0.00 0.00 175.26 176.23 1ie5 n TYR 85 N 4.95 4.10 -2.64 5.30 4.02 0.17 -2.33 117.16 130.72 1ie5 n TYR 85 Ca -0.12 -3.09 -0.41 0.00 -0.01 0.00 0.00 57.90 54.28 1ie5 n TYR 85 Cb 0.46 -2.14 -0.05 0.00 -0.02 0.00 0.00 39.34 37.59 1ie5 n TYR 85 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ie5 s ILE 86 N 1.32 4.07 -0.03 -0.72 1.01 -1.25 -1.04 121.20 124.55 1ie5 s ILE 86 Ca 0.42 1.88 -0.04 0.00 0.00 0.00 0.00 60.65 62.92 1ie5 s ILE 86 Cb 0.03 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.31 1ie5 s ILE 86 CO 0.00 0.37 0.10 0.00 0.00 0.00 0.00 174.94 175.41 1ie5 s ILE 88 N -0.14 0.53 0.08 0.00 1.01 0.02 -0.89 121.20 121.81 1ie5 s ILE 88 Ca -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1ie5 s ILE 88 Cb -0.02 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 1ie5 s ILE 88 CO 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 174.94 174.72 1ie5 s ALA 89 N -0.82 0.91 -0.01 9.38 0.00 -0.17 -1.22 121.76 129.83 1ie5 s ALA 89 Ca -0.04 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.59 1ie5 s ALA 89 Cb -0.07 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1ie5 s ALA 89 CO 0.00 -0.12 0.41 -2.00 0.00 0.00 0.00 175.76 174.05 1ie5 s GLU 90 N -2.91 0.81 0.32 0.00 2.12 0.30 -1.14 118.70 118.21 1ie5 s GLU 90 Ca 0.04 -0.15 -0.13 0.00 0.36 0.00 0.00 54.97 55.09 1ie5 s GLU 90 Cb -0.01 0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.77 1ie5 s GLU 90 CO -0.02 -0.25 0.63 1.21 -0.54 0.00 0.00 175.26 176.30 1ie5 s ASN 91 N -1.48 0.14 0.58 -1.70 3.84 -0.55 -1.24 114.94 114.53 1ie5 s ASN 91 Ca -0.11 -1.07 0.28 0.00 0.21 0.00 0.00 52.86 52.17 1ie5 s ASN 91 Cb -0.03 0.73 1.66 0.00 -0.55 0.00 0.00 41.25 43.05 1ie5 s ASN 91 CO 0.04 -1.41 2.13 0.07 -2.79 0.00 0.00 177.10 175.13 1ie5 h LYS 92 N 2.08 0.00 -0.01 0.43 -0.00 -1.95 -3.05 116.57 114.08 1ie5 h LYS 92 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.38 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 0.36 0.00 -0.70 0.00 -0.00 0.00 0.00 179.45 179.11 1ie5 n ALA 93 N -2.35 4.03 0.00 0.07 0.00 -1.26 -4.97 120.51 116.03 1ie5 n ALA 93 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1ie5 n ALA 93 Cb 0.28 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.97 3.59 0.00 0.00 -1.15 -4.72 105.19 103.32 1ie5 n GLY 94 Ca 0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 0.72 0.34 1.61 2.12 -1.26 -1.49 118.70 120.20 1ie5 s GLU 95 Ca 0.00 0.44 -0.18 0.00 0.36 0.00 0.00 54.97 55.59 1ie5 s GLU 95 Cb 0.00 0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.77 1ie5 s GLU 95 CO 0.00 -0.17 0.75 -1.14 -0.54 0.00 0.00 175.26 174.16 1ie5 s GLN 96 N -0.51 2.02 0.07 4.30 2.00 -0.29 -4.87 119.66 122.38 1ie5 s GLN 96 Ca -0.02 -1.24 -0.23 0.00 -2.00 0.00 0.00 55.36 51.86 1ie5 s GLN 96 Cb -0.02 0.61 0.06 0.00 0.80 0.00 0.00 33.01 34.46 1ie5 s GLN 96 CO 0.01 -0.94 0.55 0.16 -0.50 0.00 0.00 175.29 174.58 1ie5 s ASP 97 N -3.01 -0.49 0.35 6.67 -4.77 -1.26 -1.00 116.67 113.17 1ie5 s ASP 97 Ca 0.14 0.17 -0.00 0.00 -3.30 0.00 0.00 52.55 49.55 1ie5 s ASP 97 Cb -0.05 0.52 -0.00 0.00 -1.09 0.00 0.00 42.92 42.30 1ie5 s ASP 97 CO 0.10 -0.78 0.45 0.00 0.70 0.00 0.00 175.17 175.64 1ie5 s ALA 98 N -2.71 1.02 -0.07 2.11 0.00 -0.07 -4.79 121.76 117.24 1ie5 s ALA 98 Ca -0.04 -1.65 -0.11 0.00 0.00 0.00 0.00 51.96 50.16 1ie5 s ALA 98 Cb -0.00 1.21 0.02 0.00 0.00 0.00 0.00 23.12 24.35 1ie5 s ALA 98 CO -0.04 -0.77 0.27 0.99 0.00 0.00 0.00 175.76 176.21 1ie5 s THR 99 N -3.02 0.02 0.33 0.00 2.01 -1.26 -1.22 115.64 112.50 1ie5 s THR 99 Ca 0.33 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1ie5 s THR 99 Cb -0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1ie5 s THR 99 CO 0.23 -0.10 0.11 -0.63 -0.69 0.00 0.00 174.62 173.54 1ie5 s ILE 100 N -0.35 0.67 -0.07 1.82 1.01 -0.21 -4.81 121.20 119.26 1ie5 s ILE 100 Ca -0.05 -2.00 -0.05 0.00 0.00 0.00 0.00 60.65 58.55 1ie5 s ILE 100 Cb -0.03 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.90 1ie5 s ILE 100 CO 0.01 0.00 0.17 -2.28 0.00 0.00 0.00 174.94 172.85 1ie5 s HIS 101 N -3.44 -0.20 -0.57 3.97 2.46 -1.24 -0.66 115.29 115.62 1ie5 s HIS 101 Ca 0.33 0.50 -0.08 0.00 0.47 0.00 0.00 55.06 56.28 1ie5 s HIS 101 Cb 0.06 0.03 0.15 0.00 -0.13 0.00 0.00 32.58 32.69 1ie5 s HIS 101 CO 0.15 -0.12 0.44 -1.17 -2.47 0.00 0.00 174.74 171.57 1ie5 s LEU 102 N 0.47 5.78 -1.10 8.88 2.96 -0.17 -0.70 118.68 134.79 1ie5 s LEU 102 Ca -0.03 -2.29 -0.15 0.00 -0.22 0.00 0.00 54.13 51.44 1ie5 s LEU 102 Cb -0.05 -2.01 0.16 0.00 0.50 0.00 0.00 46.19 44.80 1ie5 s LEU 102 CO -0.02 -0.59 1.31 -0.54 -1.32 0.00 0.00 176.35 175.19 1ie5 s LYS 103 N 0.80 3.91 0.10 1.98 1.02 0.19 -3.20 119.74 124.54 1ie5 s LYS 103 Ca 0.11 -2.30 -0.27 0.00 0.02 0.00 0.00 55.97 53.53 1ie5 s LYS 103 Cb -0.22 -5.00 -0.06 0.00 -0.52 0.00 0.00 37.83 32.03 1ie5 s LYS 103 CO -0.03 -1.76 0.83 0.08 -0.92 0.00 0.00 175.35 173.56 1ie5 s VAL 104 N 1.92 4.54 0.16 3.17 1.01 -1.26 -3.76 120.40 126.18 1ie5 s VAL 104 Ca 0.39 1.80 0.09 0.00 0.00 0.00 0.00 61.98 64.26 1ie5 s VAL 104 Cb -0.04 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1ie5 s VAL 104 CO -0.04 0.40 -0.20 0.72 0.00 0.00 0.00 175.10 175.99 1ie5 s PHE 105 N -0.36 1.89 -0.41 5.22 -0.12 -0.67 -4.93 117.98 118.61 1ie5 s PHE 105 Ca 0.40 -0.44 0.05 0.00 -0.05 0.00 0.00 56.93 56.89 1ie5 s PHE 105 Cb -0.22 -0.95 0.50 0.00 -0.63 0.00 0.00 43.02 41.72 1ie5 s PHE 105 CO 0.26 0.34 1.60 0.00 -0.05 0.00 0.00 175.22 177.38 1ie5 n ALA 106 N 0.39 5.17 -1.12 1.99 0.00 -1.26 -0.65 120.51 125.02 1ie5 n ALA 106 Ca -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1ie5 n ALA 106 Cb 0.56 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1ie5 n ALA 106 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86