#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4i s LYS 3 N 0.00 3.15 -0.09 3.52 1.02 -1.26 -5.00 119.74 121.08 2x4i s LYS 3 Ca 0.00 -0.82 0.02 0.00 0.02 0.00 0.00 55.97 55.19 2x4i s LYS 3 Cb 0.00 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 2x4i s LYS 3 CO 0.00 0.47 -0.13 0.08 -0.92 0.00 0.00 175.35 174.85 2x4i s VAL 4 N -1.87 1.26 0.22 3.17 1.01 -1.26 -1.37 120.40 121.56 2x4i s VAL 4 Ca 0.33 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2x4i s VAL 4 Cb -0.10 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2x4i s VAL 4 CO 0.26 0.39 -0.01 -0.31 0.00 0.00 0.00 175.10 175.43 2x4i s TYR 5 N 0.89 2.75 -0.13 5.22 2.02 0.14 -0.44 117.35 127.81 2x4i s TYR 5 Ca -0.10 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2x4i s TYR 5 Cb -0.15 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.15 2x4i s TYR 5 CO 0.01 0.56 -0.16 -1.17 -1.57 0.00 0.00 175.55 173.22 2x4i s LEU 6 N -3.30 1.79 0.21 -1.29 2.96 0.30 -0.66 118.68 118.70 2x4i s LEU 6 Ca 0.29 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 2x4i s LEU 6 Cb -0.08 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 2x4i s LEU 6 CO 0.19 0.01 0.21 0.00 -1.32 0.00 0.00 176.35 175.43 2x4i s ALA 7 N 1.08 0.88 -0.46 5.97 0.00 -0.58 -1.07 121.76 127.57 2x4i s ALA 7 Ca -0.04 -1.53 0.16 0.00 0.00 0.00 0.00 51.96 50.55 2x4i s ALA 7 Cb -0.14 1.32 0.67 0.00 0.00 0.00 0.00 23.12 24.97 2x4i s ALA 7 CO -0.04 -0.65 1.58 0.27 0.00 0.00 0.00 175.76 176.93 2x4i n ASN 8 N -0.32 4.73 -3.59 0.00 0.23 -1.26 -1.49 115.26 113.57 2x4i n ASN 8 Ca 0.01 -2.79 -0.07 0.00 -0.53 0.00 0.00 54.58 51.20 2x4i n ASN 8 Cb 0.65 -0.59 -0.04 0.00 -2.08 0.00 0.00 39.78 37.73 2x4i n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2x4i s ALA 9 N -2.47 -2.00 -0.11 -2.53 0.00 -1.26 -4.74 121.76 108.66 2x4i s ALA 9 Ca 0.48 1.59 -0.02 0.00 0.00 0.00 0.00 51.96 54.00 2x4i s ALA 9 Cb 0.35 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2x4i s ALA 9 CO 0.16 -0.42 -0.04 0.12 0.00 0.00 0.00 175.76 175.58 2x4i s PHE 10 N -1.68 3.04 0.01 0.00 5.36 -1.26 -4.99 117.98 118.45 2x4i s PHE 10 Ca 0.04 -0.05 0.02 0.00 -0.96 0.00 0.00 56.93 55.98 2x4i s PHE 10 Cb -0.01 -1.83 -0.01 0.00 -0.34 0.00 0.00 43.02 40.83 2x4i s PHE 10 CO -0.04 0.23 -0.06 0.45 -1.46 0.00 0.00 175.22 174.34 2x4i s SER 11 N -0.36 0.73 0.40 6.13 0.15 -1.26 -5.02 113.70 114.46 2x4i s SER 11 Ca 0.06 -0.26 0.16 0.00 0.70 0.00 0.00 55.95 56.62 2x4i s SER 11 Cb -0.12 -0.04 1.04 0.00 -1.71 0.00 0.00 66.02 65.19 2x4i s SER 11 CO 0.02 -0.02 1.83 0.40 1.20 0.00 0.00 173.24 176.67 2x4i h ILE 12 N 4.83 0.66 0.00 6.45 2.04 -2.00 -0.97 117.51 128.52 2x4i h ILE 12 Ca -0.31 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2x4i h ILE 12 Cb 1.19 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2x4i h ILE 12 CO 0.47 0.08 0.00 0.78 0.00 0.00 0.00 178.15 179.48 2x4i h ASN 13 N 0.46 0.00 1.28 1.72 2.35 -1.97 -0.43 115.58 118.98 2x4i h ASN 13 Ca 0.51 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.25 2x4i h ASN 13 Cb 1.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 2x4i h ASN 13 CO -0.22 0.00 -0.01 0.24 -1.65 0.00 0.00 177.43 175.79 2x4i h MET 14 N 0.00 0.00 -6.80 0.81 2.86 -1.39 -3.45 114.93 106.96 2x4i h MET 14 Ca 0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.16 2x4i h MET 14 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2x4i h MET 14 CO 0.00 0.01 0.25 -0.51 1.06 0.00 0.00 176.91 177.72 2x4i s LEU 15 N -6.21 4.26 -0.03 1.22 1.43 -0.17 0.18 118.68 119.36 2x4i s LEU 15 Ca 0.03 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 2x4i s LEU 15 Cb 0.08 -3.96 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 2x4i s LEU 15 CO 0.58 -0.09 0.03 0.35 0.23 0.00 0.00 176.35 177.45 2x4i n THR 16 N 0.35 0.18 -4.40 5.49 -2.24 -1.24 -4.89 114.28 107.53 2x4i n THR 16 Ca 0.02 -0.13 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 2x4i n THR 16 Cb 0.51 -0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 68.01 2x4i n THR 16 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2x4i s LYS 17 N -2.12 1.28 -0.01 -0.78 1.02 -1.26 -5.15 119.74 112.73 2x4i s LYS 17 Ca -0.02 -1.19 -0.01 0.00 0.02 0.00 0.00 55.97 54.78 2x4i s LYS 17 Cb 0.01 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 2x4i s LYS 17 CO 0.14 0.38 0.02 -0.06 -0.92 0.00 0.00 175.35 174.92 2x4i s PHE 18 N -1.06 -0.00 0.01 3.18 0.40 -1.26 -3.79 117.98 115.45 2x4i s PHE 18 Ca 0.09 0.02 -0.29 0.00 -0.60 0.00 0.00 56.93 56.14 2x4i s PHE 18 Cb -0.10 -0.01 -0.03 0.00 0.51 0.00 0.00 43.02 43.39 2x4i s PHE 18 CO 0.04 -0.03 0.95 -1.25 0.70 0.00 0.00 175.22 175.63 2x4i s PRO 19 N -0.14 4.57 0.16 0.24 0.04 -1.26 -5.19 135.00 133.42 2x4i s PRO 19 Ca -0.02 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.42 2x4i s PRO 19 Cb -0.01 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2x4i s PRO 19 CO -0.00 -0.00 0.30 0.99 0.04 0.00 0.00 177.00 178.33 2x4i s THR 20 N 0.84 5.31 -0.15 1.26 2.01 -1.25 -5.12 115.64 118.54 2x4i s THR 20 Ca 0.50 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 2x4i s THR 20 Cb -0.21 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2x4i s THR 20 CO 0.27 -0.12 0.07 -0.54 -0.69 0.00 0.00 174.62 173.61 2x4i s LYS 21 N -3.31 3.71 -0.08 4.92 -0.14 -1.26 -5.12 119.74 118.46 2x4i s LYS 21 Ca 0.35 -0.31 0.03 0.00 -1.36 0.00 0.00 55.97 54.68 2x4i s LYS 21 Cb -0.11 -3.14 0.01 0.00 -1.68 0.00 0.00 37.83 32.91 2x4i s LYS 21 CO 0.29 0.45 -0.17 0.08 -0.76 0.00 0.00 175.35 175.23 2x4i s VAL 22 N -0.12 1.53 -0.20 3.17 1.01 -1.26 -4.48 120.40 120.05 2x4i s VAL 22 Ca 0.07 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2x4i s VAL 22 Cb -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2x4i s VAL 22 CO 0.01 0.44 0.08 -0.69 0.00 0.00 0.00 175.10 174.94 2x4i s VAL 23 N 0.52 4.87 -0.17 2.92 1.01 -0.22 -4.96 120.40 124.36 2x4i s VAL 23 Ca -0.16 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2x4i s VAL 23 Cb -0.17 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.02 2x4i s VAL 23 CO 0.06 0.44 -0.17 -0.63 0.00 0.00 0.00 175.10 174.79 2x4i s ILE 24 N 0.54 1.88 -0.04 2.22 1.01 -1.26 -0.95 121.20 124.59 2x4i s ILE 24 Ca 0.04 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.89 2x4i s ILE 24 Cb -0.13 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2x4i s ILE 24 CO 0.01 0.48 -0.23 -0.62 0.00 0.00 0.00 174.94 174.58 2x4i s ASP 25 N 1.36 2.79 -0.07 3.58 2.15 -0.22 -4.99 116.67 121.27 2x4i s ASP 25 Ca 0.04 -0.45 -0.27 0.00 0.43 0.00 0.00 52.55 52.30 2x4i s ASP 25 Cb -0.13 -0.65 -0.03 0.00 -0.30 0.00 0.00 42.92 41.81 2x4i s ASP 25 CO -0.12 0.24 0.88 -0.75 -0.17 0.00 0.00 175.17 175.25 2x4i s LYS 26 N -0.22 4.45 0.22 4.34 2.20 -1.26 -0.16 119.74 129.30 2x4i s LYS 26 Ca -0.00 1.18 0.11 0.00 -0.36 0.00 0.00 55.97 56.91 2x4i s LYS 26 Cb -0.12 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 2x4i s LYS 26 CO 0.02 -0.12 -0.22 0.96 -0.36 0.00 0.00 175.35 175.63 2x4i s ILE 27 N 1.37 2.44 0.86 5.43 -4.36 -0.54 -4.95 121.20 121.44 2x4i s ILE 27 Ca 0.45 -2.11 -0.07 0.00 -0.26 0.00 0.00 60.65 58.65 2x4i s ILE 27 Cb -0.19 -2.20 0.18 0.00 1.25 0.00 0.00 42.46 41.50 2x4i s ILE 27 CO 0.20 -0.19 1.17 1.51 0.24 0.00 0.00 174.94 177.87 2x4i s ASP 28 N -2.91 3.58 0.37 4.36 1.47 -1.26 -4.23 116.67 118.06 2x4i s ASP 28 Ca 0.23 -0.23 0.20 0.00 1.18 0.00 0.00 52.55 53.94 2x4i s ASP 28 Cb -0.07 0.10 0.45 0.00 -0.34 0.00 0.00 42.92 43.05 2x4i s ASP 28 CO 0.12 -2.39 1.62 0.08 0.68 0.00 0.00 175.17 175.27 2x4i h ARG 29 N -1.11 0.00 0.41 2.11 0.11 -1.99 -2.02 114.38 111.90 2x4i h ARG 29 Ca -0.38 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.68 2x4i h ARG 29 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 2x4i h ARG 29 CO 0.35 0.31 -0.25 1.25 0.10 0.00 0.00 179.97 181.72 2x4i h LEU 30 N 0.00 -0.62 -0.54 0.08 6.46 -1.99 -1.81 115.31 116.89 2x4i h LEU 30 Ca -0.00 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 2x4i h LEU 30 Cb 1.07 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.16 2x4i h LEU 30 CO 0.04 -0.40 0.13 -0.08 -0.62 0.00 0.00 178.44 177.51 2x4i h GLU 31 N -0.63 0.86 0.27 1.25 4.57 -1.91 -1.87 114.58 117.12 2x4i h GLU 31 Ca -0.05 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 2x4i h GLU 31 Cb 0.52 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2x4i h GLU 31 CO 0.05 0.82 -0.13 0.35 -1.18 0.00 0.00 179.01 178.92 2x4i h PHE 32 N 0.76 -0.33 -0.84 0.92 3.57 -1.41 -2.30 116.94 117.30 2x4i h PHE 32 Ca 0.17 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2x4i h PHE 32 Cb 0.35 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 2x4i h PHE 32 CO 0.02 -0.19 0.38 0.00 -2.23 0.00 0.00 178.31 176.29 2x4i h GLU 34 N 1.20 0.73 -0.12 0.00 5.08 -1.30 -2.55 114.58 117.61 2x4i h GLU 34 Ca 0.28 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 2x4i h GLU 34 Cb 0.15 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2x4i h GLU 34 CO -0.03 0.54 -0.72 -0.91 -1.00 0.00 0.00 179.01 176.89 2x4i h ASN 35 N 0.71 0.67 1.40 1.42 -0.26 -1.12 -3.17 115.58 115.23 2x4i h ASN 35 Ca 0.19 -0.43 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 2x4i h ASN 35 Cb 0.01 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 2x4i h ASN 35 CO -0.03 1.18 0.00 0.16 -1.06 0.00 0.00 177.43 177.68 2x4i h ILE 36 N 0.39 0.00 -0.41 2.81 3.07 -1.29 -3.36 117.51 118.73 2x4i h ILE 36 Ca -0.03 -0.50 -0.71 0.00 1.55 0.00 0.00 64.86 65.17 2x4i h ILE 36 Cb 1.31 1.46 -0.07 0.00 -0.27 0.00 0.00 36.82 39.25 2x4i h ILE 36 CO 0.13 0.00 2.76 -0.67 -1.05 0.00 0.00 178.15 179.33 2x4i n ASP 37 N -2.40 4.27 -3.71 2.16 2.03 -0.97 -4.85 116.55 113.09 2x4i n ASP 37 Ca 0.05 -2.89 -0.12 0.00 0.52 0.00 0.00 54.79 52.34 2x4i n ASP 37 Cb 0.40 -1.65 -0.12 0.00 -0.72 0.00 0.00 41.12 39.03 2x4i n ASP 37 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2x4i s ASN 38 N 3.09 -0.25 0.53 1.67 2.47 -1.26 -5.01 114.94 116.19 2x4i s ASN 38 Ca 0.47 0.63 0.27 0.00 0.42 0.00 0.00 52.86 54.65 2x4i s ASN 38 Cb 0.11 0.55 1.50 0.00 -1.45 0.00 0.00 41.25 41.96 2x4i s ASN 38 CO -0.04 -0.18 2.10 -0.33 -3.72 0.00 0.00 177.10 174.93 2x4i h GLU 39 N 7.34 0.00 -0.70 0.43 5.08 -1.95 -3.01 114.58 121.78 2x4i h GLU 39 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2x4i h GLU 39 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2x4i h GLU 39 CO 0.32 0.10 0.00 -0.25 -1.00 0.00 0.00 179.01 178.18 2x4i n ASP 40 N -3.72 3.87 -4.77 1.42 8.00 -1.26 -4.97 116.55 115.12 2x4i n ASP 40 Ca -0.02 -2.00 -0.38 0.00 0.71 0.00 0.00 54.79 53.10 2x4i n ASP 40 Cb 0.21 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 40.78 2x4i n ASP 40 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2x4i s ILE 41 N -1.01 4.15 -0.33 0.53 2.07 -1.14 -4.47 121.20 121.00 2x4i s ILE 41 Ca 0.47 1.88 -0.08 0.00 -1.41 0.00 0.00 60.65 61.51 2x4i s ILE 41 Cb 0.24 -4.09 0.02 0.00 0.13 0.00 0.00 42.46 38.77 2x4i s ILE 41 CO 0.32 0.23 0.13 -0.63 -1.91 0.00 0.00 174.94 173.09 2x4i s ILE 42 N -1.50 4.17 -0.15 2.00 1.01 0.42 -4.96 121.20 122.19 2x4i s ILE 42 Ca 0.48 -0.82 -0.24 0.00 0.00 0.00 0.00 60.65 60.06 2x4i s ILE 42 Cb -0.21 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 2x4i s ILE 42 CO 0.26 -0.08 0.78 0.21 0.00 0.00 0.00 174.94 176.11 2x4i s ASN 43 N 1.50 6.93 -0.12 3.58 2.47 -1.26 -0.54 114.94 127.51 2x4i s ASN 43 Ca 0.02 1.14 0.16 0.00 0.42 0.00 0.00 52.86 54.59 2x4i s ASN 43 Cb -0.18 -2.43 0.27 0.00 -1.45 0.00 0.00 41.25 37.45 2x4i s ASN 43 CO 0.04 -0.31 1.14 -1.54 -3.72 0.00 0.00 177.10 172.71 2x4i n SER 44 N 4.85 1.94 -4.58 -4.21 3.41 -0.23 -4.67 113.62 110.13 2x4i n SER 44 Ca 0.02 -3.01 -0.41 0.00 -0.26 0.00 0.00 58.87 55.21 2x4i n SER 44 Cb 0.50 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 2x4i n SER 44 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2x4i s ILE 45 N -2.48 5.02 -0.29 -1.33 1.01 -1.25 -4.38 121.20 117.50 2x4i s ILE 45 Ca 0.28 0.59 0.22 0.00 0.00 0.00 0.00 60.65 61.75 2x4i s ILE 45 Cb 0.26 -3.92 -0.16 0.00 0.01 0.00 0.00 42.46 38.65 2x4i s ILE 45 CO 0.01 -0.11 0.84 0.61 0.00 0.00 0.00 174.94 176.29 2x4i n GLY 46 N 4.62 -1.22 3.68 6.18 0.00 -1.26 -2.55 105.19 114.63 2x4i n GLY 46 Ca -0.04 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2x4i n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x4i s HIS 47 N -3.36 3.36 0.30 1.61 3.76 -1.26 -4.82 115.29 114.88 2x4i s HIS 47 Ca -0.02 1.44 0.02 0.00 -0.15 0.00 0.00 55.06 56.35 2x4i s HIS 47 Cb 0.13 -3.28 0.47 0.00 1.11 0.00 0.00 32.58 31.01 2x4i s HIS 47 CO 0.84 -0.63 1.81 0.22 -0.85 0.00 0.00 174.74 176.12 2x4i h ASP 48 N 7.32 0.60 0.46 1.40 -0.00 -1.99 -2.21 116.42 121.99 2x4i h ASP 48 Ca -0.29 -0.13 -0.05 0.00 -0.00 0.00 0.00 57.03 56.55 2x4i h ASP 48 Cb 1.13 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 40.30 2x4i h ASP 48 CO 0.89 0.69 -0.24 0.77 -0.00 0.00 0.00 179.24 181.34 2x4i h SER 49 N 0.59 0.00 0.14 2.28 4.64 -1.98 0.17 113.55 119.39 2x4i h SER 49 Ca 0.12 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.15 2x4i h SER 49 Cb 0.41 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2x4i h SER 49 CO 0.02 0.24 -1.20 0.74 -0.87 0.00 0.00 176.83 175.76 2x4i h THR 50 N 0.00 1.31 -0.09 2.95 2.02 -1.92 -2.69 112.91 114.51 2x4i h THR 50 Ca -0.00 -2.48 -0.00 0.00 0.77 0.00 0.00 66.41 64.70 2x4i h THR 50 Cb 0.54 2.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.74 2x4i h THR 50 CO 0.03 0.74 0.04 0.40 0.37 0.00 0.00 175.52 177.11 2x4i h ILE 51 N 0.16 1.10 -0.02 3.11 1.08 -0.76 -1.99 117.51 120.20 2x4i h ILE 51 Ca -0.19 -0.28 -0.11 0.00 -0.39 0.00 0.00 64.86 63.88 2x4i h ILE 51 Cb 1.89 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 36.76 2x4i h ILE 51 CO 0.23 0.09 -0.52 1.56 -0.69 0.00 0.00 178.15 178.81 2x4i h GLN 52 N 0.03 0.04 0.44 2.37 1.08 -0.82 0.87 115.11 119.13 2x4i h GLN 52 Ca 0.03 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2x4i h GLN 52 Cb 0.10 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2x4i h GLN 52 CO -0.00 0.56 -0.48 1.25 -0.95 0.00 0.00 178.83 179.20 2x4i h LEU 53 N 0.03 -1.33 -0.99 1.46 5.85 -1.30 0.02 115.31 119.05 2x4i h LEU 53 Ca -0.00 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 2x4i h LEU 53 Cb 0.94 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2x4i h LEU 53 CO 0.07 -0.63 -0.46 0.16 -0.34 0.00 0.00 178.44 177.24 2x4i h ILE 54 N -0.94 1.34 -0.40 4.05 3.07 -1.13 -1.45 117.51 122.06 2x4i h ILE 54 Ca -0.05 -1.62 -0.03 0.00 1.55 0.00 0.00 64.86 64.71 2x4i h ILE 54 Cb 0.83 1.83 -0.02 0.00 -0.27 0.00 0.00 36.82 39.19 2x4i h ILE 54 CO -0.08 0.47 0.14 0.78 -1.05 0.00 0.00 178.15 178.41 2x4i h ASN 55 N 0.07 0.57 0.64 2.16 2.35 -0.74 0.92 115.58 121.54 2x4i h ASN 55 Ca 0.00 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 2x4i h ASN 55 Cb 0.85 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2x4i h ASN 55 CO 0.06 0.60 -0.30 0.28 -1.65 0.00 0.00 177.43 176.43 2x4i h SER 56 N 0.50 0.00 0.01 5.81 0.02 -0.74 0.13 113.55 119.28 2x4i h SER 56 Ca 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2x4i h SER 56 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2x4i h SER 56 CO -0.01 0.30 -0.00 0.25 -1.14 0.00 0.00 176.83 176.23 2x4i h LEU 57 N 0.00 -0.01 -0.54 5.07 5.85 -1.07 -3.40 115.31 121.21 2x4i h LEU 57 Ca -0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2x4i h LEU 57 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2x4i h LEU 57 CO 0.04 0.80 -0.53 0.00 -0.34 0.00 0.00 178.44 178.41 2x4i n GLY 59 N 1.43 0.83 3.94 0.00 0.00 0.46 -5.03 105.19 106.81 2x4i n GLY 59 Ca 0.08 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2x4i n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x4i s THR 60 N -2.42 2.24 -0.37 2.61 -4.23 -1.17 -5.03 115.64 107.27 2x4i s THR 60 Ca 0.00 -0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.29 2x4i s THR 60 Cb 0.00 -2.93 0.44 0.00 1.34 0.00 0.00 72.50 71.35 2x4i s THR 60 CO 0.00 0.00 1.11 0.35 -0.54 0.00 0.00 174.62 175.54 2x4i n THR 61 N -2.99 2.15 -2.04 3.99 -2.24 -1.26 -4.66 114.28 107.23 2x4i n THR 61 Ca 0.10 -4.35 -0.32 0.00 -2.27 0.00 0.00 64.05 57.21 2x4i n THR 61 Cb 0.60 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 68.05 2x4i n THR 61 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2x4i s PHE 62 N -3.52 3.10 0.04 4.78 0.08 -1.26 -5.08 117.98 116.12 2x4i s PHE 62 Ca 0.45 1.49 0.03 0.00 0.12 0.00 0.00 56.93 59.02 2x4i s PHE 62 Cb 0.41 -2.95 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 2x4i s PHE 62 CO -0.09 -0.99 -0.10 1.14 -0.10 0.00 0.00 175.22 175.08 2x4i s GLN 63 N -4.22 0.65 -0.16 0.44 0.00 -1.26 -4.92 119.66 110.20 2x4i s GLN 63 Ca 0.62 -0.75 -0.35 0.00 -0.00 0.00 0.00 55.36 54.88 2x4i s GLN 63 Cb -0.15 -0.53 -0.12 0.00 0.00 0.00 0.00 33.01 32.21 2x4i s GLN 63 CO 0.39 0.12 1.92 0.36 0.00 0.00 0.00 175.29 178.07 2x4i n LYS 64 N 1.63 1.87 -3.35 9.60 2.85 -1.26 -4.91 118.16 124.59 2x4i n LYS 64 Ca -0.21 0.66 -0.20 0.00 -1.05 0.00 0.00 58.31 57.51 2x4i n LYS 64 Cb 0.55 -2.57 -0.08 0.00 -0.65 0.00 0.00 35.03 32.27 2x4i n LYS 64 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2x4i s ASN 65 N 4.65 1.43 0.05 -5.58 2.47 -1.06 -4.98 114.94 111.93 2x4i s ASN 65 Ca 0.96 -1.95 -0.31 0.00 0.42 0.00 0.00 52.86 51.99 2x4i s ASN 65 Cb -0.75 0.29 -0.07 0.00 -1.45 0.00 0.00 41.25 39.27 2x4i s ASN 65 CO 0.53 -0.24 1.50 -0.13 -3.72 0.00 0.00 177.10 175.03 2x4i s ARG 66 N 1.11 4.25 -0.08 0.43 0.52 -1.26 -3.81 118.95 120.12 2x4i s ARG 66 Ca 0.20 2.13 -0.05 0.00 -0.52 0.00 0.00 55.73 57.49 2x4i s ARG 66 Cb -0.14 -3.52 0.03 0.00 0.52 0.00 0.00 34.95 31.85 2x4i s ARG 66 CO -0.04 -0.61 0.19 0.08 0.02 0.00 0.00 175.30 174.93 2x4i s VAL 67 N 2.25 -0.03 -0.14 3.52 1.01 -1.26 -5.04 120.40 120.71 2x4i s VAL 67 Ca 0.68 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 2x4i s VAL 67 Cb -0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2x4i s VAL 67 CO 0.29 0.04 1.20 -0.70 0.00 0.00 0.00 175.10 175.94 2x4i s GLU 68 N 0.84 4.28 -0.07 2.72 2.12 -1.26 -4.84 118.70 122.49 2x4i s GLU 68 Ca -0.06 1.61 -0.02 0.00 0.36 0.00 0.00 54.97 56.86 2x4i s GLU 68 Cb -0.08 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 2x4i s GLU 68 CO -0.05 -0.60 0.01 0.96 -0.54 0.00 0.00 175.26 175.04 2x4i s ILE 69 N 3.03 4.39 -0.13 -3.70 -4.36 -1.26 -5.09 121.20 114.07 2x4i s ILE 69 Ca 0.53 -0.28 -0.00 0.00 -0.26 0.00 0.00 60.65 60.64 2x4i s ILE 69 Cb -0.21 -2.87 0.03 0.00 1.25 0.00 0.00 42.46 40.65 2x4i s ILE 69 CO 0.16 0.56 -0.09 -0.54 0.24 0.00 0.00 174.94 175.26 2x4i s LYS 70 N -1.03 1.74 0.22 0.37 -0.14 -1.26 -4.45 119.74 115.19 2x4i s LYS 70 Ca 0.15 -0.38 -0.18 0.00 -1.36 0.00 0.00 55.97 54.20 2x4i s LYS 70 Cb -0.11 -1.80 -0.08 0.00 -1.68 0.00 0.00 37.83 34.16 2x4i s LYS 70 CO 0.04 -0.28 0.68 -0.51 -0.76 0.00 0.00 175.35 174.53 2x4i s LEU 71 N 1.63 4.31 0.49 3.17 1.43 0.13 -4.99 118.68 124.85 2x4i s LEU 71 Ca 0.04 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 2x4i s LEU 71 Cb -0.13 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 2x4i s LEU 71 CO -0.09 0.02 0.09 -1.61 0.23 0.00 0.00 176.35 174.99 2x4i s GLU 72 N -2.09 2.17 0.28 1.70 2.02 -1.26 -3.67 118.70 117.84 2x4i s GLU 72 Ca 0.43 -2.24 -0.29 0.00 0.02 0.00 0.00 54.97 52.89 2x4i s GLU 72 Cb -0.15 -1.68 -0.14 0.00 0.10 0.00 0.00 34.13 32.25 2x4i s GLU 72 CO 0.20 -0.33 1.09 1.63 0.02 0.00 0.00 175.26 177.87 2x4i n LYS 73 N -1.30 1.46 -0.81 1.61 5.02 -1.26 -2.33 118.16 120.54 2x4i n LYS 73 Ca -0.12 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2x4i n LYS 73 Cb 0.66 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2x4i n LYS 73 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2x4i n GLU 74 N 0.93 -0.09 -1.61 1.97 1.02 0.27 -4.84 120.64 118.29 2x4i n GLU 74 Ca 0.10 0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 2x4i n GLU 74 Cb 0.31 -3.39 0.05 0.00 -0.02 0.00 0.00 31.44 28.39 2x4i n GLU 74 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2x4i s ASP 75 N -2.52 5.45 -0.00 1.62 1.01 -0.99 -4.55 116.67 116.69 2x4i s ASP 75 Ca 0.00 1.57 0.03 0.00 0.71 0.00 0.00 52.55 54.86 2x4i s ASP 75 Cb 0.00 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 2x4i s ASP 75 CO 0.00 -1.40 -0.10 -0.54 0.21 0.00 0.00 175.17 173.35 2x4i s LYS 76 N -5.07 0.79 -0.11 8.23 1.02 -0.47 -1.90 119.74 122.22 2x4i s LYS 76 Ca 0.58 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.20 2x4i s LYS 76 Cb -0.14 -0.76 0.01 0.00 -0.52 0.00 0.00 37.83 36.43 2x4i s LYS 76 CO 0.55 0.21 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.85 2x4i s LEU 77 N -0.33 1.77 -0.29 3.17 2.96 0.37 0.24 118.68 126.58 2x4i s LEU 77 Ca 0.03 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 2x4i s LEU 77 Cb -0.04 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 2x4i s LEU 77 CO -0.00 0.02 0.18 -0.31 -1.32 0.00 0.00 176.35 174.92 2x4i s TYR 78 N 0.97 3.20 -0.09 5.38 1.51 0.16 0.07 117.35 128.56 2x4i s TYR 78 Ca -0.07 -0.05 -0.00 0.00 -1.01 0.00 0.00 57.07 55.94 2x4i s TYR 78 Cb -0.15 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.29 2x4i s TYR 78 CO -0.02 -0.24 -0.06 0.08 -1.11 0.00 0.00 175.55 174.21 2x4i s VAL 79 N 1.73 3.78 -0.21 0.71 1.01 0.18 -1.53 120.40 126.07 2x4i s VAL 79 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 2x4i s VAL 79 Cb -0.16 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2x4i s VAL 79 CO 0.10 0.58 0.01 -0.69 0.00 0.00 0.00 175.10 175.10 2x4i s VAL 80 N -0.54 4.01 -0.30 2.92 1.01 -0.55 -1.88 120.40 125.07 2x4i s VAL 80 Ca 0.08 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2x4i s VAL 80 Cb -0.12 -2.83 0.08 0.00 0.00 0.00 0.00 36.38 33.51 2x4i s VAL 80 CO 0.02 0.41 -0.04 -1.58 0.00 0.00 0.00 175.10 173.92 2x4i s GLN 81 N 1.11 1.89 -0.17 2.72 0.74 0.07 -4.38 119.66 121.65 2x4i s GLN 81 Ca 0.03 -1.59 -0.07 0.00 0.05 0.00 0.00 55.36 53.77 2x4i s GLN 81 Cb -0.14 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 2x4i s GLN 81 CO 0.02 -0.74 0.08 0.42 -0.55 0.00 0.00 175.29 174.52 2x4i s ILE 82 N 1.01 4.96 -1.45 -2.34 -1.09 -1.26 -0.97 121.20 120.06 2x4i s ILE 82 Ca 0.00 0.02 0.15 0.00 -2.23 0.00 0.00 60.65 58.60 2x4i s ILE 82 Cb -0.20 -3.22 0.36 0.00 -1.58 0.00 0.00 42.46 37.83 2x4i s ILE 82 CO -0.06 0.49 1.28 -1.20 -1.23 0.00 0.00 174.94 174.22 2x4i n SER 83 N 3.20 3.08 -0.34 3.58 7.64 -0.28 -5.02 113.62 125.48 2x4i n SER 83 Ca -0.17 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.79 2x4i n SER 83 Cb 0.53 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2x4i n SER 83 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2x4i n ILE 91 N 0.92 0.00 -3.47 0.44 -5.35 -1.26 -4.92 119.36 105.72 2x4i n ILE 91 Ca 0.15 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.41 2x4i n ILE 91 Cb 0.47 0.00 0.04 0.00 -1.74 0.00 0.00 39.64 38.42 2x4i n ILE 91 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2x4i n LEU 92 N 0.00 -4.20 -4.89 7.28 4.77 -1.26 -5.02 117.00 113.68 2x4i n LEU 92 Ca 0.00 -0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 54.90 2x4i n LEU 92 Cb 0.00 -2.72 0.06 0.00 -2.33 0.00 0.00 43.42 38.43 2x4i n LEU 92 CO 0.00 0.13 0.76 0.42 -1.33 0.00 0.00 177.39 177.37 2x4i s THR 93 N -3.34 2.85 0.45 -5.08 -4.23 -1.26 -4.87 115.64 100.16 2x4i s THR 93 Ca 0.37 0.27 0.12 0.00 -1.18 0.00 0.00 61.69 61.27 2x4i s THR 93 Cb -0.10 -3.27 0.23 0.00 1.34 0.00 0.00 72.50 70.70 2x4i s THR 93 CO 0.81 -0.36 2.05 0.25 -0.54 0.00 0.00 174.62 176.83 2x4i h LEU 94 N -0.82 0.19 -0.56 4.79 5.85 -1.95 -0.87 115.31 121.94 2x4i h LEU 94 Ca -0.45 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.17 2x4i h LEU 94 Cb 1.29 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2x4i h LEU 94 CO 0.65 0.21 0.02 -0.08 -0.34 0.00 0.00 178.44 178.90 2x4i h GLU 95 N 0.21 0.98 0.07 1.25 4.81 -1.98 -1.55 114.58 118.37 2x4i h GLU 95 Ca 0.05 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2x4i h GLU 95 Cb 0.11 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2x4i h GLU 95 CO -0.00 0.97 -0.03 0.93 -0.73 0.00 0.00 179.01 180.15 2x4i h GLU 96 N 0.87 -0.09 -0.96 1.92 5.08 -1.77 -2.23 114.58 117.39 2x4i h GLU 96 Ca 0.16 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.69 2x4i h GLU 96 Cb 0.51 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 2x4i h GLU 96 CO 0.02 0.37 0.61 0.82 -1.00 0.00 0.00 179.01 179.83 2x4i h ILE 97 N -0.59 0.80 0.02 3.13 2.04 -1.19 -0.47 117.51 121.24 2x4i h ILE 97 Ca -0.01 -0.26 -0.21 0.00 1.00 0.00 0.00 64.86 65.38 2x4i h ILE 97 Cb 0.50 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2x4i h ILE 97 CO 0.02 0.14 -0.92 -0.07 0.00 0.00 0.00 178.15 177.31 2x4i h LEU 98 N 0.76 0.25 -1.56 1.44 3.38 -1.28 -1.17 115.31 117.14 2x4i h LEU 98 Ca 0.50 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2x4i h LEU 98 Cb 0.76 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2x4i h LEU 98 CO -0.27 1.04 -0.22 0.50 0.09 0.00 0.00 178.44 179.58 2x4i h LYS 99 N 0.10 0.00 0.11 1.13 1.63 -0.63 0.61 116.57 119.51 2x4i h LYS 99 Ca -0.05 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.61 2x4i h LYS 99 Cb 1.57 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.22 2x4i h LYS 99 CO 0.14 0.22 -0.62 -0.07 -3.45 0.00 0.00 179.45 175.67 2x4i h LEU 100 N 0.00 0.35 -0.92 5.20 3.38 -0.90 0.26 115.31 122.68 2x4i h LEU 100 Ca -0.00 -0.97 0.11 0.00 0.09 0.00 0.00 57.88 57.11 2x4i h LEU 100 Cb 0.50 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 2x4i h LEU 100 CO 0.03 1.30 0.55 0.22 0.09 0.00 0.00 178.44 180.63 2x4i h TYR 101 N -0.53 1.00 0.00 1.13 3.20 -1.20 -0.69 116.97 119.88 2x4i h TYR 101 Ca -0.11 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.61 2x4i h TYR 101 Cb 1.48 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 2x4i h TYR 101 CO 0.22 0.39 -0.89 0.93 -1.64 0.00 0.00 178.16 177.16 2x4i h GLU 102 N 0.88 0.00 0.00 1.82 4.39 -0.88 -2.73 114.58 118.07 2x4i h GLU 102 Ca 0.45 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.13 2x4i h GLU 102 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2x4i h GLU 102 CO -0.26 0.89 -0.10 0.77 -1.16 0.00 0.00 179.01 179.15 2x4i h SER 103 N 0.00 0.00 0.00 1.42 0.02 0.03 -3.47 113.55 111.56 2x4i h SER 103 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2x4i h SER 103 Cb 1.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2x4i h SER 103 CO 0.12 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 2x4i n GLY 104 N -0.82 0.61 0.20 -3.77 0.00 -0.45 -4.96 105.19 96.01 2x4i n GLY 104 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 2x4i n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x4i h LYS 105 N 4.33 0.00 -5.11 1.61 1.57 -1.42 -3.41 116.57 114.14 2x4i h LYS 105 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2x4i h LYS 105 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.02 2x4i h LYS 105 CO 0.00 0.32 -0.77 0.08 -0.57 0.00 0.00 179.45 178.51 2x4i s VAL 106 N -4.02 2.97 0.08 0.50 1.01 -1.19 -1.13 120.40 118.62 2x4i s VAL 106 Ca -0.02 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2x4i s VAL 106 Cb 0.13 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2x4i s VAL 106 CO 0.68 0.48 -0.13 -1.10 0.00 0.00 0.00 175.10 175.03 2x4i s GLN 107 N 1.10 0.81 0.04 2.72 -0.21 -0.14 -4.54 119.66 119.44 2x4i s GLN 107 Ca 0.00 -0.98 0.08 0.00 0.02 0.00 0.00 55.36 54.48 2x4i s GLN 107 Cb -0.15 -0.76 -0.03 0.00 1.00 0.00 0.00 33.01 33.08 2x4i s GLN 107 CO -0.03 0.16 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.03 2x4i s PHE 108 N -1.48 1.89 0.01 0.91 0.40 -1.26 -0.75 117.98 117.70 2x4i s PHE 108 Ca -0.01 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.91 2x4i s PHE 108 Cb -0.09 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.30 2x4i s PHE 108 CO 0.02 0.09 0.05 -0.06 0.70 0.00 0.00 175.22 176.02 2x4i s PHE 109 N -0.79 0.15 -0.18 0.36 0.40 -0.79 -1.47 117.98 115.66 2x4i s PHE 109 Ca 0.08 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 2x4i s PHE 109 Cb -0.09 -0.12 -0.00 0.00 0.51 0.00 0.00 43.02 43.32 2x4i s PHE 109 CO 0.02 -0.23 -0.11 -2.00 0.70 0.00 0.00 175.22 173.60 2x4i s GLU 110 N -1.36 3.28 -0.17 0.44 2.12 0.78 -0.64 118.70 123.14 2x4i s GLU 110 Ca -0.15 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.46 2x4i s GLU 110 Cb -0.08 -2.77 -0.01 0.00 0.26 0.00 0.00 34.13 31.52 2x4i s GLU 110 CO 0.00 -0.06 -0.08 0.42 -0.54 0.00 0.00 175.26 175.00 2x4i s ILE 111 N 1.05 3.26 -0.17 -3.70 1.01 0.11 -1.05 121.20 121.70 2x4i s ILE 111 Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 2x4i s ILE 111 Cb -0.15 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 2x4i s ILE 111 CO -0.02 0.48 -0.07 -0.63 0.00 0.00 0.00 174.94 174.70 2x4i s ILE 112 N 0.86 3.41 -2.48 2.92 1.01 -0.13 -0.47 121.20 126.32 2x4i s ILE 112 Ca -0.02 -0.51 0.28 0.00 0.00 0.00 0.00 60.65 60.40 2x4i s ILE 112 Cb -0.15 -2.50 0.56 0.00 0.01 0.00 0.00 42.46 40.39 2x4i s ILE 112 CO 0.01 0.47 1.76 0.52 0.00 0.00 0.00 174.94 177.70