#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 1.29 0.00 1.61 -0.14 -1.26 -5.08 119.74 116.15 1ie5 s LYS 2 Ca 0.00 -0.68 0.22 0.00 -1.36 0.00 0.00 55.97 54.15 1ie5 s LYS 2 Cb 0.00 0.54 -0.13 0.00 -1.68 0.00 0.00 37.83 36.56 1ie5 s LYS 2 CO 0.00 -0.55 0.98 -0.25 -0.76 0.00 0.00 175.35 174.77 1ie5 n ASP 3 N -0.33 1.15 -0.02 2.83 8.00 -1.26 -4.20 116.55 122.72 1ie5 n ASP 3 Ca -0.14 -1.04 -0.20 0.00 0.71 0.00 0.00 54.79 54.12 1ie5 n ASP 3 Cb 0.64 0.85 -0.14 0.00 -0.02 0.00 0.00 41.12 42.44 1ie5 n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ie5 n ILE 4 N -1.23 1.72 -2.14 0.53 5.41 -1.26 -4.76 119.36 117.63 1ie5 n ILE 4 Ca 0.05 -0.65 -0.06 0.00 1.00 0.00 0.00 62.75 63.09 1ie5 n ILE 4 Cb 0.36 -1.62 -0.03 0.00 -0.71 0.00 0.00 39.64 37.63 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 -3.41 0.25 -4.15 0.38 10.64 -1.26 -5.12 117.38 114.71 1ie5 n GLN 5 Ca -0.34 -1.09 -0.16 0.00 -1.83 0.00 0.00 57.00 53.59 1ie5 n GLN 5 Cb 1.04 0.46 -0.11 0.00 -0.86 0.00 0.00 30.24 30.76 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1ie5 s VAL 6 N -0.00 0.96 -1.26 -0.39 1.01 -1.26 -5.07 120.40 114.39 1ie5 s VAL 6 Ca 0.03 -1.36 -0.20 0.00 0.00 0.00 0.00 61.98 60.45 1ie5 s VAL 6 Cb 0.09 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1ie5 s VAL 6 CO -0.03 -0.35 1.80 -0.63 0.00 0.00 0.00 175.10 175.89 1ie5 s ILE 7 N -1.63 3.91 0.00 2.22 -1.09 -1.26 -3.76 121.20 119.59 1ie5 s ILE 7 Ca -0.01 -1.55 0.00 0.00 -2.23 0.00 0.00 60.65 56.86 1ie5 s ILE 7 Cb -0.08 -4.98 0.00 0.00 -1.58 0.00 0.00 42.46 35.82 1ie5 s ILE 7 CO 0.01 -1.66 0.00 0.52 -1.23 0.00 0.00 174.94 172.58 1ie5 n VAL 8 N 6.90 0.00 -3.59 2.92 0.31 -1.26 -5.07 118.33 118.54 1ie5 n VAL 8 Ca 0.47 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.44 1ie5 n VAL 8 Cb 0.46 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.32 1ie5 n VAL 8 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ie5 s ASN 9 N -2.28 6.37 -0.12 4.52 0.02 -1.25 -3.99 114.94 118.21 1ie5 s ASN 9 Ca 0.00 0.43 -0.04 0.00 -1.02 0.00 0.00 52.86 52.22 1ie5 s ASN 9 Cb 0.00 -2.16 0.06 0.00 0.02 0.00 0.00 41.25 39.18 1ie5 s ASN 9 CO 0.00 0.12 0.24 -0.69 0.02 0.00 0.00 177.10 176.79 1ie5 s VAL 10 N 0.47 -0.38 0.92 1.60 1.01 0.48 -4.97 120.40 119.53 1ie5 s VAL 10 Ca 0.14 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1ie5 s VAL 10 Cb -0.12 -0.43 0.09 0.00 0.00 0.00 0.00 36.38 35.92 1ie5 s VAL 10 CO 0.02 0.11 0.80 -2.65 0.00 0.00 0.00 175.10 173.38 1ie5 n PRO 11 N 5.34 -0.33 -2.11 2.72 -0.02 -1.26 -1.95 135.00 137.40 1ie5 n PRO 11 Ca -0.06 -0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.95 1ie5 n PRO 11 Cb 0.50 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 -4.10 3.59 -0.55 0.52 0.02 -1.26 -4.49 135.00 128.72 1ie5 s PRO 12 Ca 0.63 1.47 -0.03 0.00 0.02 0.00 0.00 61.00 63.08 1ie5 s PRO 12 Cb -0.23 -4.09 0.14 0.00 0.02 0.00 0.00 34.50 30.34 1ie5 s PRO 12 CO 0.62 -1.55 2.56 0.43 -0.33 0.00 0.00 177.00 178.73 1ie5 n SER 13 N 9.19 6.75 -4.69 2.53 7.64 0.24 -4.37 113.62 130.92 1ie5 n SER 13 Ca 0.20 -3.37 -0.42 0.00 1.01 0.00 0.00 58.87 56.29 1ie5 n SER 13 Cb 0.46 -1.18 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 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 -2.99 3.35 0.38 0.44 0.11 -1.26 -4.50 120.40 115.94 1ie5 s VAL 14 Ca 0.57 0.80 0.04 0.00 -2.93 0.00 0.00 61.98 60.46 1ie5 s VAL 14 Cb 0.40 -3.52 -0.05 0.00 -1.53 0.00 0.00 36.38 31.68 1ie5 s VAL 14 CO -0.26 0.01 0.06 -0.13 -3.33 0.00 0.00 175.10 171.44 1ie5 s ARG 15 N 2.31 1.84 -0.28 1.54 1.81 -1.04 -4.45 118.95 120.68 1ie5 s ARG 15 Ca 0.68 -2.07 -0.18 0.00 -1.72 0.00 0.00 55.73 52.44 1ie5 s ARG 15 Cb -0.36 -1.06 -0.02 0.00 -0.45 0.00 0.00 34.95 33.06 1ie5 s ARG 15 CO 0.29 -0.24 0.53 0.00 -0.68 0.00 0.00 175.30 175.20 1ie5 s ALA 16 N -3.11 3.56 -1.42 2.13 0.00 -1.26 -1.00 121.76 120.66 1ie5 s ALA 16 Ca 0.30 -0.68 0.30 0.00 0.00 0.00 0.00 51.96 51.87 1ie5 s ALA 16 Cb 0.07 -2.93 1.39 0.00 0.00 0.00 0.00 23.12 21.65 1ie5 s ALA 16 CO 0.14 -0.86 1.98 -2.13 0.00 0.00 0.00 175.76 174.88 1ie5 n ARG 17 N 5.62 0.43 -3.51 0.00 0.63 -0.58 -4.80 116.66 114.46 1ie5 n ARG 17 Ca -0.04 -0.05 -0.16 0.00 -0.92 0.00 0.00 57.85 56.68 1ie5 n ARG 17 Cb 0.49 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.86 1ie5 n ARG 17 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1ie5 s GLN 18 N -2.61 1.11 -0.20 -0.14 -1.52 -1.26 -4.94 119.66 110.11 1ie5 s GLN 18 Ca 0.27 -0.00 -0.15 0.00 -1.95 0.00 0.00 55.36 53.52 1ie5 s GLN 18 Cb 0.20 0.52 -0.20 0.00 -0.22 0.00 0.00 33.01 33.31 1ie5 s GLN 18 CO 0.48 -0.39 0.15 -1.13 -0.25 0.00 0.00 175.29 174.14 1ie5 n SER 19 N 0.51 1.95 -3.50 5.90 3.41 -1.26 -4.73 113.62 115.90 1ie5 n SER 19 Ca -0.18 0.33 -0.15 0.00 -0.26 0.00 0.00 58.87 58.60 1ie5 n SER 19 Cb 0.60 -0.89 -0.12 0.00 -0.26 0.00 0.00 64.21 63.54 1ie5 n SER 19 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ie5 s THR 20 N -2.44 -0.41 0.38 6.66 2.01 -1.26 -1.28 115.64 119.30 1ie5 s THR 20 Ca -0.29 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1ie5 s THR 20 Cb 0.08 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1ie5 s THR 20 CO 0.62 -0.12 0.55 -0.04 -0.69 0.00 0.00 174.62 174.95 1ie5 s MET 21 N 2.40 3.09 0.10 4.92 1.00 0.17 -4.98 119.30 126.00 1ie5 s MET 21 Ca 0.07 -0.81 -0.25 0.00 0.00 0.00 0.00 55.69 54.70 1ie5 s MET 21 Cb -0.15 -2.72 0.07 0.00 0.00 0.00 0.00 34.83 32.03 1ie5 s MET 21 CO -0.12 -0.08 0.61 0.54 0.00 0.00 0.00 175.02 175.97 1ie5 s ASN 22 N -4.19 -0.58 0.01 3.03 2.20 -1.26 -1.09 114.94 113.06 1ie5 s ASN 22 Ca 0.46 0.17 -0.29 0.00 -0.94 0.00 0.00 52.86 52.27 1ie5 s ASN 22 Cb -0.10 0.58 0.10 0.00 -2.00 0.00 0.00 41.25 39.83 1ie5 s ASN 22 CO 0.34 -0.87 0.94 0.00 -2.94 0.00 0.00 177.10 174.57 1ie5 s ALA 23 N -3.09 -1.82 -0.22 3.54 0.00 -1.24 -4.98 121.76 113.95 1ie5 s ALA 23 Ca -0.02 0.88 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1ie5 s ALA 23 Cb -0.01 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1ie5 s ALA 23 CO -0.07 -0.76 0.47 0.99 0.00 0.00 0.00 175.76 176.39 1ie5 s THR 24 N -3.07 5.13 0.44 0.00 2.01 -1.26 -1.52 115.64 117.37 1ie5 s THR 24 Ca 0.07 0.84 -0.22 0.00 0.31 0.00 0.00 61.69 62.70 1ie5 s THR 24 Cb -0.01 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 1ie5 s THR 24 CO -0.06 0.18 1.01 0.00 -0.69 0.00 0.00 174.62 175.06 1ie5 s ALA 25 N 1.71 2.99 0.00 7.40 0.00 -0.43 -4.22 121.76 129.22 1ie5 s ALA 25 Ca 0.21 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1ie5 s ALA 25 Cb -0.15 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1ie5 s ALA 25 CO 0.09 -0.15 0.00 -1.71 0.00 0.00 0.00 175.76 174.00 1ie5 n ASN 26 N -0.58 -3.20 -0.92 0.00 2.85 -0.91 -4.63 115.26 107.88 1ie5 n ASN 26 Ca 0.07 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.63 1ie5 n ASN 26 Cb 0.52 -2.01 0.25 0.00 1.24 0.00 0.00 39.78 39.78 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 2.68 -1.96 1.20 4.77 -1.26 -4.95 117.00 117.49 1ie5 n LEU 27 Ca 0.00 -1.29 -0.19 0.00 -0.03 0.00 0.00 56.01 54.50 1ie5 n LEU 27 Cb 0.20 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1ie5 n LEU 27 CO 0.00 0.65 -0.22 -1.20 -1.33 0.00 0.00 177.39 175.28 1ie5 n SER 28 N 0.97 -5.37 -4.71 -1.43 7.64 -1.26 -5.00 113.62 104.46 1ie5 n SER 28 Ca 0.17 0.10 -0.30 0.00 1.01 0.00 0.00 58.87 59.85 1ie5 n SER 28 Cb 0.44 -4.44 0.14 0.00 -1.01 0.00 0.00 64.21 59.33 1ie5 n SER 28 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ie5 s GLN 29 N -4.60 1.33 0.13 1.43 0.74 -1.26 -4.07 119.66 113.36 1ie5 s GLN 29 Ca 0.00 0.95 0.05 0.00 0.05 0.00 0.00 55.36 56.41 1ie5 s GLN 29 Cb 0.00 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.26 1ie5 s GLN 29 CO 0.00 -2.23 -0.12 -1.54 -0.55 0.00 0.00 175.29 170.85 1ie5 s SER 30 N -3.31 1.81 -0.17 6.67 1.04 -1.26 -0.74 113.70 117.74 1ie5 s SER 30 Ca 0.63 -0.88 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 1ie5 s SER 30 Cb -0.19 -0.03 0.06 0.00 0.10 0.00 0.00 66.02 65.96 1ie5 s SER 30 CO 0.57 -0.23 0.43 -0.69 0.98 0.00 0.00 173.24 174.30 1ie5 s VAL 31 N -2.60 -0.02 -0.13 5.02 1.01 -0.11 -5.00 120.40 118.57 1ie5 s VAL 31 Ca 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1ie5 s VAL 31 Cb -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1ie5 s VAL 31 CO 0.02 0.03 0.03 -0.89 0.00 0.00 0.00 175.10 174.29 1ie5 s THR 32 N 1.21 4.53 0.15 3.92 2.01 -1.26 -0.37 115.64 125.84 1ie5 s THR 32 Ca -0.08 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 1ie5 s THR 32 Cb -0.07 -2.97 0.03 0.00 0.01 0.00 0.00 72.50 69.49 1ie5 s THR 32 CO -0.11 0.54 0.42 -1.48 -0.69 0.00 0.00 174.62 173.30 1ie5 s LEU 33 N -0.31 0.41 -0.12 4.42 0.05 -0.95 -5.02 118.68 117.16 1ie5 s LEU 33 Ca 0.07 -0.46 -0.29 0.00 0.05 0.00 0.00 54.13 53.51 1ie5 s LEU 33 Cb -0.12 1.82 0.07 0.00 -2.05 0.00 0.00 46.19 45.91 1ie5 s LEU 33 CO 0.02 -0.92 0.70 0.00 -0.55 0.00 0.00 176.35 175.61 1ie5 s ALA 34 N -3.85 -1.78 -0.43 1.48 0.00 -1.26 -1.22 121.76 114.70 1ie5 s ALA 34 Ca 0.07 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1ie5 s ALA 34 Cb 0.01 -0.37 0.12 0.00 0.00 0.00 0.00 23.12 22.88 1ie5 s ALA 34 CO -0.07 -0.36 0.19 0.00 0.00 0.00 0.00 175.76 175.52 1ie5 s ASP 36 N 1.09 5.79 0.15 0.00 -4.77 -0.17 -4.25 116.67 114.51 1ie5 s ASP 36 Ca 0.11 -1.65 -0.21 0.00 -3.30 0.00 0.00 52.55 47.51 1ie5 s ASP 36 Cb -0.22 -2.58 -0.08 0.00 -1.09 0.00 0.00 42.92 38.96 1ie5 s ASP 36 CO -0.05 -2.23 0.67 0.00 0.70 0.00 0.00 175.17 174.27 1ie5 s ALA 37 N 7.97 3.50 0.03 2.11 0.00 -1.26 -2.51 121.76 131.59 1ie5 s ALA 37 Ca 0.61 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.46 1ie5 s ALA 37 Cb -0.01 -2.78 0.08 0.00 0.00 0.00 0.00 23.12 20.42 1ie5 s ALA 37 CO 0.05 0.35 0.71 0.34 0.00 0.00 0.00 175.76 177.22 1ie5 s ASP 38 N -1.30 -0.55 0.00 0.00 2.15 -1.26 -4.88 116.67 110.83 1ie5 s ASP 38 Ca 0.35 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.62 1ie5 s ASP 38 Cb -0.20 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 1ie5 s ASP 38 CO 0.22 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 1ie5 n GLY 39 N 0.19 -0.68 2.78 2.66 0.00 -1.26 -0.59 105.19 108.29 1ie5 n GLY 39 Ca -0.16 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.03 0.95 1.61 0.08 -0.82 -3.60 117.98 114.17 1ie5 s PHE 40 Ca 0.00 0.32 -0.12 0.00 0.12 0.00 0.00 56.93 57.25 1ie5 s PHE 40 Cb 0.00 -0.29 0.08 0.00 -0.57 0.00 0.00 43.02 42.24 1ie5 s PHE 40 CO 0.00 -0.17 0.68 -2.30 -0.10 0.00 0.00 175.22 173.33 1ie5 n PRO 41 N 4.75 -0.41 -1.58 0.24 -0.02 -1.26 -0.39 135.00 136.33 1ie5 n PRO 41 Ca -0.16 -0.07 -0.55 0.00 -2.02 0.00 0.00 63.50 60.70 1ie5 n PRO 41 Cb 0.50 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.70 0.77 -1.97 -0.52 1.02 -1.24 -4.86 120.64 111.14 1ie5 n GLU 42 Ca 0.08 0.28 -0.31 0.00 -0.02 0.00 0.00 57.16 57.19 1ie5 n GLU 42 Cb 0.53 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1ie5 n GLU 42 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ie5 s PRO 43 N 0.70 3.64 -0.18 3.49 0.04 -1.26 -4.97 135.00 136.46 1ie5 s PRO 43 Ca 0.88 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.58 1ie5 s PRO 43 Cb -1.08 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 1ie5 s PRO 43 CO 0.53 -0.51 0.13 0.99 0.04 0.00 0.00 177.00 178.18 1ie5 s THR 44 N -3.09 5.42 0.02 1.26 2.01 0.02 -4.96 115.64 116.32 1ie5 s THR 44 Ca 0.55 0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.59 1ie5 s THR 44 Cb -0.11 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1ie5 s THR 44 CO 0.51 0.48 0.33 0.00 -0.69 0.00 0.00 174.62 175.24 1ie5 s MET 45 N 0.05 0.77 0.24 4.92 0.23 -1.26 -0.62 119.30 123.63 1ie5 s MET 45 Ca 0.09 -0.35 -0.14 0.00 -1.03 0.00 0.00 55.69 54.27 1ie5 s MET 45 Cb -0.11 0.34 -0.00 0.00 -1.53 0.00 0.00 34.83 33.53 1ie5 s MET 45 CO -0.01 -0.24 0.49 0.95 -2.03 0.00 0.00 175.02 174.18 1ie5 s THR 46 N -2.03 0.01 0.10 3.16 -4.23 -0.73 -4.87 115.64 107.05 1ie5 s THR 46 Ca -0.08 -1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 58.92 1ie5 s THR 46 Cb -0.02 -2.11 0.04 0.00 1.34 0.00 0.00 72.50 71.74 1ie5 s THR 46 CO 0.00 -0.03 0.44 -1.66 -0.54 0.00 0.00 174.62 172.83 1ie5 s TRP 47 N -4.00 -0.27 0.16 3.99 1.48 -1.26 -1.19 118.94 117.85 1ie5 s TRP 47 Ca 0.20 0.07 0.11 0.00 -1.06 0.00 0.00 56.10 55.41 1ie5 s TRP 47 Cb -0.01 0.29 -0.04 0.00 -1.16 0.00 0.00 33.47 32.55 1ie5 s TRP 47 CO 0.07 -0.68 -0.24 0.95 -4.06 0.00 0.00 176.95 172.99 1ie5 s THR 48 N -3.37 2.21 -1.10 0.66 -4.23 -0.63 -0.45 115.64 108.73 1ie5 s THR 48 Ca 0.00 -1.87 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1ie5 s THR 48 Cb 0.01 -2.00 0.29 0.00 1.34 0.00 0.00 72.50 72.15 1ie5 s THR 48 CO -0.09 -0.05 1.60 1.17 -0.54 0.00 0.00 174.62 176.71 1ie5 n LYS 49 N 0.60 4.57 -0.34 3.99 4.81 0.48 -3.53 118.16 128.74 1ie5 n LYS 49 Ca -0.15 -4.46 0.00 0.00 -0.87 0.00 0.00 58.31 52.83 1ie5 n LYS 49 Cb 0.55 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.05 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 1.33 0.00 0.00 3.14 2.03 -0.87 -3.90 116.55 118.28 1ie5 n ASP 50 Ca 0.31 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1ie5 n ASP 50 Cb 0.32 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 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 0.47 3.87 0.27 0.00 -1.26 -5.00 105.19 101.53 1ie5 n GLY 51 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 3.86 0.13 1.61 -1.05 -1.25 -4.97 118.70 117.02 1ie5 s GLU 52 Ca 0.00 0.37 -0.29 0.00 -0.15 0.00 0.00 54.97 54.90 1ie5 s GLU 52 Cb 0.00 -2.64 -0.07 0.00 -0.44 0.00 0.00 34.13 30.99 1ie5 s GLU 52 CO 0.00 0.30 0.91 -1.25 0.95 0.00 0.00 175.26 176.17 1ie5 s PRO 53 N -2.76 4.69 -0.73 -4.83 0.04 -1.26 -0.39 135.00 129.77 1ie5 s PRO 53 Ca 0.48 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 1ie5 s PRO 53 Cb -0.11 -3.34 0.36 0.00 0.04 0.00 0.00 34.50 31.45 1ie5 s PRO 53 CO 0.20 0.32 2.08 -0.89 0.04 0.00 0.00 177.00 178.76 1ie5 n ILE 54 N 2.40 3.56 -2.20 0.56 5.41 0.40 -4.86 119.36 124.62 1ie5 n ILE 54 Ca -0.00 -3.54 -0.38 0.00 1.00 0.00 0.00 62.75 59.83 1ie5 n ILE 54 Cb 0.49 -1.24 -0.01 0.00 -0.71 0.00 0.00 39.64 38.17 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 -3.71 3.82 0.01 0.38 -1.05 -1.26 -4.57 118.70 112.32 1ie5 s GLU 55 Ca 0.57 1.88 0.19 0.00 -0.15 0.00 0.00 54.97 57.46 1ie5 s GLU 55 Cb 0.45 -2.52 0.81 0.00 -0.44 0.00 0.00 34.13 32.43 1ie5 s GLU 55 CO -0.22 -0.53 1.61 1.04 0.95 0.00 0.00 175.26 178.10 1ie5 n GLN 56 N -0.28 0.01 0.00 -4.83 6.02 -1.26 -1.94 117.38 115.10 1ie5 n GLN 56 Ca 0.06 0.18 0.08 0.00 -0.01 0.00 0.00 57.00 57.31 1ie5 n GLN 56 Cb 0.47 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.52 1.67 0.00 -1.09 1.02 -1.26 -4.81 120.64 114.65 1ie5 n GLU 57 Ca 0.04 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1ie5 n GLU 57 Cb 0.22 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.04 0.00 -4.16 1.62 2.03 -1.19 -5.08 116.55 109.74 1ie5 n ASP 58 Ca 0.07 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.00 1ie5 n ASP 58 Cb 0.33 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.04 5.40 0.00 1.67 3.84 -0.82 -4.84 114.94 120.16 1ie5 s ASN 59 Ca 0.00 -1.95 0.00 0.00 0.21 0.00 0.00 52.86 51.12 1ie5 s ASN 59 Cb 0.00 -1.89 0.00 0.00 -0.55 0.00 0.00 41.25 38.81 1ie5 s ASN 59 CO 0.00 -0.58 0.40 1.21 -2.79 0.00 0.00 177.10 175.34 1ie5 n GLU 60 N 4.71 0.00 -0.06 0.43 2.13 -1.26 -4.64 120.64 121.94 1ie5 n GLU 60 Ca -0.05 -0.37 0.25 0.00 0.66 0.00 0.00 57.16 57.66 1ie5 n GLU 60 Cb 0.41 -0.31 0.72 0.00 0.27 0.00 0.00 31.44 32.53 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 -0.07 5.31 5.08 -2.01 -3.10 114.58 119.79 1ie5 h GLU 61 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1ie5 h GLU 61 Cb 1.04 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.12 1ie5 h GLU 61 CO 0.00 0.00 -0.40 0.36 -1.00 0.00 0.00 179.01 177.97 1ie5 n LYS 62 N -4.05 1.25 -3.48 2.33 2.85 -1.26 -5.11 118.16 110.68 1ie5 n LYS 62 Ca 0.14 -1.80 -0.12 0.00 -1.05 0.00 0.00 58.31 55.48 1ie5 n LYS 62 Cb 0.82 -0.03 -0.03 0.00 -0.65 0.00 0.00 35.03 35.14 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 -0.09 -0.47 -0.08 5.58 -0.85 -1.17 -1.38 117.35 118.89 1ie5 s TYR 63 Ca 0.19 0.29 -0.24 0.00 -0.52 0.00 0.00 57.07 56.79 1ie5 s TYR 63 Cb 0.41 0.48 0.05 0.00 0.38 0.00 0.00 41.96 43.28 1ie5 s TYR 63 CO -0.09 -0.80 0.54 -1.54 -1.52 0.00 0.00 175.55 172.15 1ie5 s SER 64 N -2.64 -0.50 0.31 -0.18 1.04 -0.70 -4.73 113.70 106.29 1ie5 s SER 64 Ca 0.00 0.63 0.02 0.00 0.48 0.00 0.00 55.95 57.08 1ie5 s SER 64 Cb -0.00 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1ie5 s SER 64 CO -0.11 -0.47 0.33 0.72 0.98 0.00 0.00 173.24 174.69 1ie5 s PHE 65 N -0.89 1.35 0.71 5.02 -0.12 -1.26 -0.80 117.98 121.98 1ie5 s PHE 65 Ca -0.09 -1.44 -0.04 0.00 -0.05 0.00 0.00 56.93 55.30 1ie5 s PHE 65 Cb -0.02 -0.43 0.15 0.00 -0.63 0.00 0.00 43.02 42.08 1ie5 s PHE 65 CO 0.06 -0.92 0.96 0.27 -0.05 0.00 0.00 175.22 175.54 1ie5 n ASN 66 N -1.20 0.89 0.10 1.98 0.23 -0.99 -4.98 115.26 111.28 1ie5 n ASN 66 Ca 0.04 -1.85 0.12 0.00 -0.53 0.00 0.00 54.58 52.37 1ie5 n ASN 66 Cb 0.63 -0.66 0.45 0.00 -2.08 0.00 0.00 39.78 38.11 1ie5 n ASN 66 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1ie5 n TYR 67 N -2.95 0.75 0.90 -2.53 4.01 -1.26 -2.46 117.16 113.62 1ie5 n TYR 67 Ca 0.15 0.25 0.12 0.00 -0.16 0.00 0.00 57.90 58.26 1ie5 n TYR 67 Cb 0.52 -0.90 0.32 0.00 -0.31 0.00 0.00 39.34 38.97 1ie5 n TYR 67 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ie5 n ASP 68 N -2.14 0.45 -0.01 7.72 8.00 -1.26 -4.96 116.55 124.35 1ie5 n ASP 68 Ca 0.04 0.01 -0.00 0.00 0.71 0.00 0.00 54.79 55.56 1ie5 n ASP 68 Cb 0.34 0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 1.46 0.30 0.03 0.44 0.00 -1.03 -4.68 105.19 101.71 1ie5 n GLY 69 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.41 0.74 -4.58 1.61 3.41 -1.26 -4.81 113.62 108.31 1ie5 n SER 70 Ca -0.00 0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 58.54 1ie5 n SER 70 Cb 0.21 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 1ie5 n SER 70 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ie5 s GLU 71 N -1.55 3.29 -0.21 4.33 2.02 -1.26 -2.87 118.70 122.45 1ie5 s GLU 71 Ca -0.07 0.81 -0.04 0.00 0.02 0.00 0.00 54.97 55.69 1ie5 s GLU 71 Cb 0.01 -4.15 -0.01 0.00 0.10 0.00 0.00 34.13 30.08 1ie5 s GLU 71 CO 0.10 -1.93 -0.04 -1.17 0.02 0.00 0.00 175.26 172.25 1ie5 s LEU 72 N 6.48 2.96 -0.27 1.80 0.20 -0.36 -2.34 118.68 127.15 1ie5 s LEU 72 Ca 0.63 -0.35 -0.09 0.00 0.69 0.00 0.00 54.13 55.00 1ie5 s LEU 72 Cb -0.14 -1.75 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1ie5 s LEU 72 CO 0.28 0.00 0.13 -0.63 -0.29 0.00 0.00 176.35 175.85 1ie5 s ILE 73 N 1.36 4.77 -0.09 6.68 1.01 0.02 -2.24 121.20 132.71 1ie5 s ILE 73 Ca 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 1ie5 s ILE 73 Cb -0.14 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1ie5 s ILE 73 CO -0.02 0.25 0.15 -0.63 0.00 0.00 0.00 174.94 174.69 1ie5 s ILE 74 N 1.68 5.46 0.15 2.92 1.01 0.50 -1.72 121.20 131.19 1ie5 s ILE 74 Ca 0.06 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.87 1ie5 s ILE 74 Cb -0.16 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1ie5 s ILE 74 CO 0.07 0.53 -0.14 -1.59 0.00 0.00 0.00 174.94 173.82 1ie5 s LYS 75 N -1.29 1.14 -0.96 2.79 0.00 -0.48 -0.93 119.74 120.01 1ie5 s LYS 75 Ca 0.18 -1.39 -0.11 0.00 0.00 0.00 0.00 55.97 54.65 1ie5 s LYS 75 Cb -0.12 -0.95 0.01 0.00 0.00 0.00 0.00 37.83 36.76 1ie5 s LYS 75 CO 0.08 0.17 0.68 0.36 0.00 0.00 0.00 175.35 176.64 1ie5 n LYS 76 N 0.12 -1.18 -2.43 1.78 2.85 -0.53 -4.85 118.16 113.91 1ie5 n LYS 76 Ca -0.12 0.67 -0.38 0.00 -1.05 0.00 0.00 58.31 57.43 1ie5 n LYS 76 Cb 0.59 -3.27 -0.03 0.00 -0.65 0.00 0.00 35.03 31.66 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 -3.20 3.44 0.30 0.58 1.01 0.09 -4.85 120.40 117.77 1ie5 s VAL 77 Ca 0.20 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.37 1ie5 s VAL 77 Cb -0.09 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1ie5 s VAL 77 CO 0.88 0.11 0.38 -0.62 0.00 0.00 0.00 175.10 175.86 1ie5 s ASP 78 N -1.25 0.68 0.57 3.32 -1.08 -1.26 -2.14 116.67 115.51 1ie5 s ASP 78 Ca 0.55 -1.40 0.31 0.00 -0.52 0.00 0.00 52.55 51.49 1ie5 s ASP 78 Cb -0.28 0.58 1.44 0.00 -1.46 0.00 0.00 42.92 43.21 1ie5 s ASP 78 CO 0.35 -1.15 1.82 0.11 0.52 0.00 0.00 175.17 176.81 1ie5 h LYS 79 N 2.24 0.00 -0.00 4.34 1.57 -1.90 -0.89 116.57 121.93 1ie5 h LYS 79 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1ie5 h LYS 79 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1ie5 h LYS 79 CO 0.40 0.00 -0.01 -1.13 -0.57 0.00 0.00 179.45 178.14 1ie5 n SER 80 N -3.90 0.03 -0.12 0.86 3.41 -1.26 -3.55 113.62 109.10 1ie5 n SER 80 Ca 0.16 -0.07 0.14 0.00 -0.26 0.00 0.00 58.87 58.84 1ie5 n SER 80 Cb 0.96 -0.30 0.61 0.00 -0.26 0.00 0.00 64.21 65.22 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 -1.30 0.48 -4.64 4.04 8.00 -0.34 -4.89 116.55 117.90 1ie5 n ASP 81 Ca 0.13 -0.59 -0.46 0.00 0.71 0.00 0.00 54.79 54.58 1ie5 n ASP 81 Cb 0.26 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.94 1.79 -3.50 -1.24 2.13 -1.23 -4.88 120.64 112.77 1ie5 n GLU 82 Ca 0.15 0.64 -0.16 0.00 0.66 0.00 0.00 57.16 58.44 1ie5 n GLU 82 Cb 0.28 -2.27 -0.05 0.00 0.27 0.00 0.00 31.44 29.67 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 0.01 -1.74 -0.46 4.31 0.00 -0.90 -4.97 121.76 118.02 1ie5 s ALA 83 Ca 0.71 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.81 1ie5 s ALA 83 Cb -0.71 0.16 0.12 0.00 0.00 0.00 0.00 23.12 22.69 1ie5 s ALA 83 CO 0.49 -0.45 0.24 -2.00 0.00 0.00 0.00 175.76 174.03 1ie5 s GLU 84 N -1.74 2.04 -0.63 0.00 2.12 -1.26 -1.13 118.70 118.10 1ie5 s GLU 84 Ca -0.08 -2.06 -0.25 0.00 0.36 0.00 0.00 54.97 52.94 1ie5 s GLU 84 Cb -0.00 -3.53 0.05 0.00 0.26 0.00 0.00 34.13 30.90 1ie5 s GLU 84 CO 0.05 -1.08 1.05 0.71 -0.54 0.00 0.00 175.26 175.45 1ie5 s TYR 85 N 0.70 2.63 -0.17 5.30 2.02 0.51 -2.05 117.35 126.29 1ie5 s TYR 85 Ca 0.11 -0.15 -0.16 0.00 -0.37 0.00 0.00 57.07 56.50 1ie5 s TYR 85 Cb -0.22 -4.31 -0.04 0.00 -0.40 0.00 0.00 41.96 36.99 1ie5 s TYR 85 CO -0.04 -1.63 0.39 0.42 -1.57 0.00 0.00 175.55 173.12 1ie5 s ILE 86 N 4.47 5.22 -0.09 2.71 1.01 -1.23 -1.20 121.20 132.09 1ie5 s ILE 86 Ca 0.30 0.73 0.02 0.00 0.00 0.00 0.00 60.65 61.70 1ie5 s ILE 86 Cb -0.12 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1ie5 s ILE 86 CO 0.16 0.30 -0.15 0.00 0.00 0.00 0.00 174.94 175.26 1ie5 s ILE 88 N 0.82 1.80 0.09 0.00 1.09 -0.33 -1.00 121.20 123.67 1ie5 s ILE 88 Ca -0.11 -0.91 0.07 0.00 -1.10 0.00 0.00 60.65 58.60 1ie5 s ILE 88 Cb -0.16 -1.54 -0.03 0.00 -1.06 0.00 0.00 42.46 39.67 1ie5 s ILE 88 CO 0.01 0.51 -0.19 0.00 -0.10 0.00 0.00 174.94 175.17 1ie5 s ALA 89 N 0.03 1.59 -0.11 9.38 0.00 -0.21 -1.77 121.76 130.66 1ie5 s ALA 89 Ca -0.07 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 1ie5 s ALA 89 Cb -0.14 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.82 1ie5 s ALA 89 CO 0.04 0.29 0.39 -2.00 0.00 0.00 0.00 175.76 174.48 1ie5 s GLU 90 N -1.84 0.54 0.00 0.00 2.12 0.20 -1.24 118.70 118.48 1ie5 s GLU 90 Ca 0.04 0.36 -0.00 0.00 0.36 0.00 0.00 54.97 55.73 1ie5 s GLU 90 Cb -0.10 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1ie5 s GLU 90 CO 0.04 -0.10 0.00 0.27 -0.54 0.00 0.00 175.26 174.93 1ie5 n ASN 91 N 2.41 -0.01 0.20 -1.70 6.94 -0.27 -0.80 115.26 122.03 1ie5 n ASN 91 Ca -0.15 -1.01 0.14 0.00 -0.02 0.00 0.00 54.58 53.54 1ie5 n ASN 91 Cb 0.57 0.02 0.50 0.00 -2.36 0.00 0.00 39.78 38.50 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 -1.92 -3.20 116.57 107.62 1ie5 h LYS 92 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 60.65 60.42 1ie5 h LYS 92 Cb 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.20 1ie5 h LYS 92 CO 0.00 0.00 -1.68 0.00 -0.00 0.00 0.00 179.45 177.77 1ie5 n ALA 93 N -1.96 1.78 -3.00 0.07 0.00 -1.26 -5.08 120.51 111.05 1ie5 n ALA 93 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1ie5 n ALA 93 Cb 0.34 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 1.49 0.65 3.64 0.00 0.00 -1.21 -4.59 105.19 105.17 1ie5 n GLY 94 Ca -0.15 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.28 0.61 0.33 1.61 2.12 -1.26 -1.11 118.70 120.71 1ie5 s GLU 95 Ca 0.00 1.02 -0.07 0.00 0.36 0.00 0.00 54.97 56.28 1ie5 s GLU 95 Cb 0.00 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.54 1ie5 s GLU 95 CO 0.00 -0.12 0.53 -0.65 -0.54 0.00 0.00 175.26 174.48 1ie5 s GLN 96 N 1.44 1.87 -0.10 4.30 -0.21 -0.37 -4.97 119.66 121.61 1ie5 s GLN 96 Ca -0.09 -1.57 -0.26 0.00 0.02 0.00 0.00 55.36 53.46 1ie5 s GLN 96 Cb -0.05 0.48 0.06 0.00 1.00 0.00 0.00 33.01 34.51 1ie5 s GLN 96 CO -0.17 -0.80 0.61 0.16 -2.12 0.00 0.00 175.29 172.97 1ie5 s ASP 97 N -3.15 -0.59 0.41 5.90 -4.77 -1.26 -1.04 116.67 112.17 1ie5 s ASP 97 Ca 0.26 0.80 0.03 0.00 -3.30 0.00 0.00 52.55 50.34 1ie5 s ASP 97 Cb -0.01 0.74 -0.03 0.00 -1.09 0.00 0.00 42.92 42.53 1ie5 s ASP 97 CO 0.16 -0.47 0.10 0.00 0.70 0.00 0.00 175.17 175.67 1ie5 s ALA 98 N -0.74 2.99 -0.00 2.11 0.00 -0.17 -4.93 121.76 121.02 1ie5 s ALA 98 Ca -0.08 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 1ie5 s ALA 98 Cb -0.02 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 1ie5 s ALA 98 CO 0.06 -0.29 0.05 0.99 0.00 0.00 0.00 175.76 176.57 1ie5 s THR 99 N -3.18 0.06 -0.01 0.00 2.01 -1.26 -1.41 115.64 111.85 1ie5 s THR 99 Ca 0.23 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 1ie5 s THR 99 Cb 0.03 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.31 1ie5 s THR 99 CO 0.13 -0.27 0.10 -0.63 -0.69 0.00 0.00 174.62 173.27 1ie5 s ILE 100 N -0.84 0.06 0.11 1.82 1.01 -0.34 -4.79 121.20 118.23 1ie5 s ILE 100 Ca -0.09 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.09 1ie5 s ILE 100 Cb -0.06 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 1ie5 s ILE 100 CO 0.00 -0.28 0.08 -1.00 0.00 0.00 0.00 174.94 173.74 1ie5 s HIS 101 N -0.93 3.12 -0.19 3.97 3.76 -0.40 -0.36 115.29 124.26 1ie5 s HIS 101 Ca -0.10 0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 54.79 1ie5 s HIS 101 Cb -0.06 -1.56 0.06 0.00 1.11 0.00 0.00 32.58 32.14 1ie5 s HIS 101 CO 0.01 0.51 0.06 -1.17 -0.85 0.00 0.00 174.74 173.30 1ie5 s LEU 102 N -2.64 0.86 -0.76 0.89 2.96 -0.28 -0.66 118.68 119.06 1ie5 s LEU 102 Ca 0.29 -0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 1ie5 s LEU 102 Cb -0.11 -0.46 0.20 0.00 0.50 0.00 0.00 46.19 46.32 1ie5 s LEU 102 CO 0.22 -0.33 0.64 -0.54 -1.32 0.00 0.00 176.35 175.02 1ie5 s LYS 103 N 1.97 3.18 -0.06 1.98 -0.14 -0.25 -2.11 119.74 124.31 1ie5 s LYS 103 Ca 0.00 -2.56 -0.27 0.00 -1.36 0.00 0.00 55.97 51.79 1ie5 s LYS 103 Cb -0.17 -4.12 -0.03 0.00 -1.68 0.00 0.00 37.83 31.84 1ie5 s LYS 103 CO -0.09 -1.24 0.85 0.08 -0.76 0.00 0.00 175.35 174.19 1ie5 s VAL 104 N -0.06 4.94 0.12 3.17 1.01 -1.26 -3.66 120.40 124.66 1ie5 s VAL 104 Ca 0.18 1.76 0.07 0.00 0.00 0.00 0.00 61.98 63.99 1ie5 s VAL 104 Cb -0.14 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1ie5 s VAL 104 CO -0.07 0.17 -0.07 0.72 0.00 0.00 0.00 175.10 175.85 1ie5 s PHE 105 N 1.14 2.79 -0.30 5.22 -0.12 -0.57 -4.86 117.98 121.27 1ie5 s PHE 105 Ca 0.44 -0.14 -0.04 0.00 -0.05 0.00 0.00 56.93 57.14 1ie5 s PHE 105 Cb -0.19 -1.43 -0.02 0.00 -0.63 0.00 0.00 43.02 40.75 1ie5 s PHE 105 CO 0.21 0.46 2.94 0.00 -0.05 0.00 0.00 175.22 178.78 1ie5 n ALA 106 N 0.50 6.27 -0.71 1.99 0.00 -1.26 -1.31 120.51 125.99 1ie5 n ALA 106 Ca -0.12 -2.51 0.00 0.00 0.00 0.00 0.00 53.44 50.80 1ie5 n ALA 106 Cb 0.53 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13