#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibo s GLN 2 N 0.00 4.53 -0.19 0.00 -1.52 -1.26 -4.96 119.66 116.26 3ibo s GLN 2 Ca 0.00 1.49 0.13 0.00 -1.95 0.00 0.00 55.36 55.03 3ibo s GLN 2 Cb 0.00 -3.44 0.43 0.00 -0.22 0.00 0.00 33.01 29.78 3ibo s GLN 2 CO 0.00 -0.10 1.21 0.00 -0.25 0.00 0.00 175.29 176.15 3ibo s SER 4 N -3.11 -0.16 -0.14 0.00 0.15 -1.26 -1.57 113.70 107.62 3ibo s SER 4 Ca 0.39 -0.34 -0.10 0.00 0.70 0.00 0.00 55.95 56.60 3ibo s SER 4 Cb 0.38 0.43 0.04 0.00 -1.71 0.00 0.00 66.02 65.16 3ibo s SER 4 CO -0.07 -0.79 0.35 0.54 1.20 0.00 0.00 173.24 174.47 3ibo s VAL 5 N -3.56 -0.01 -0.29 4.45 0.11 -0.60 -4.95 120.40 115.55 3ibo s VAL 5 Ca 0.02 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 3ibo s VAL 5 Cb 0.02 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 3ibo s VAL 5 CO -0.10 0.02 0.19 -1.81 -3.33 0.00 0.00 175.10 170.07 3ibo s ASP 6 N 0.61 5.99 -0.04 3.54 1.01 -1.26 -1.31 116.67 125.22 3ibo s ASP 6 Ca -0.04 -0.06 0.07 0.00 0.71 0.00 0.00 52.55 53.23 3ibo s ASP 6 Cb -0.05 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 3ibo s ASP 6 CO -0.04 -0.07 -0.25 -0.63 0.21 0.00 0.00 175.17 174.39 3ibo s ILE 7 N 1.75 2.10 0.06 0.77 1.01 -0.05 -4.96 121.20 121.88 3ibo s ILE 7 Ca 0.07 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.69 3ibo s ILE 7 Cb -0.16 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3ibo s ILE 7 CO 0.11 0.58 -0.05 -1.10 0.00 0.00 0.00 174.94 174.47 3ibo s GLN 8 N -0.41 2.43 -0.16 2.79 -0.21 -1.26 -1.32 119.66 121.53 3ibo s GLN 8 Ca 0.04 -0.84 -0.00 0.00 0.02 0.00 0.00 55.36 54.57 3ibo s GLN 8 Cb -0.12 -2.46 0.03 0.00 1.00 0.00 0.00 33.01 31.47 3ibo s GLN 8 CO 0.01 0.56 -0.08 0.20 -2.12 0.00 0.00 175.29 173.85 3ibo s GLY 9 N -1.93 1.02 0.14 3.09 0.00 -0.52 -2.37 107.32 106.75 3ibo s GLY 9 Ca 0.21 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 44.09 3ibo s GLY 9 CO 0.13 0.79 0.20 1.16 0.00 0.00 0.00 173.10 175.38 3ibo n ASN 10 N 4.83 0.36 0.07 1.64 0.23 -0.62 -3.66 115.26 118.12 3ibo n ASN 10 Ca -0.13 -1.28 0.12 0.00 -0.53 0.00 0.00 54.58 52.75 3ibo n ASN 10 Cb 0.48 -0.12 0.46 0.00 -2.08 0.00 0.00 39.78 38.53 3ibo n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3ibo n ASP 11 N -2.92 0.47 -1.76 0.53 8.00 -1.25 -3.29 116.55 116.32 3ibo n ASP 11 Ca 0.04 0.57 0.04 0.00 0.71 0.00 0.00 54.79 56.15 3ibo n ASP 11 Cb 0.13 -0.68 0.36 0.00 -0.02 0.00 0.00 41.12 40.91 3ibo n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibo n GLN 12 N -1.96 4.34 -3.53 -1.24 1.13 -1.26 -4.96 117.38 109.90 3ibo n GLN 12 Ca 0.05 -3.11 -0.20 0.00 -1.94 0.00 0.00 57.00 51.79 3ibo n GLN 12 Cb 0.32 -2.19 0.08 0.00 0.11 0.00 0.00 30.24 28.56 3ibo n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 3ibo n MET 13 N 0.26 -6.89 -4.29 -1.09 1.56 -1.21 -5.03 117.12 100.44 3ibo n MET 13 Ca 0.30 0.81 -0.18 0.00 -0.27 0.00 0.00 57.70 58.36 3ibo n MET 13 Cb 1.19 -5.81 -0.13 0.00 2.15 0.00 0.00 33.22 30.63 3ibo n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3ibo s GLN 14 N -5.77 0.79 0.10 2.12 -0.21 -1.26 -4.29 119.66 111.14 3ibo s GLN 14 Ca 0.22 -0.63 -0.01 0.00 0.02 0.00 0.00 55.36 54.96 3ibo s GLN 14 Cb -0.10 -0.74 -0.04 0.00 1.00 0.00 0.00 33.01 33.13 3ibo s GLN 14 CO 0.74 0.18 0.27 -0.06 -2.12 0.00 0.00 175.29 174.31 3ibo s PHE 15 N -0.76 3.50 -0.31 0.91 0.08 -1.26 -1.59 117.98 118.55 3ibo s PHE 15 Ca -0.00 0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.39 3ibo s PHE 15 Cb -0.07 -1.81 0.47 0.00 -0.57 0.00 0.00 43.02 41.04 3ibo s PHE 15 CO 0.01 0.53 1.63 0.27 -0.10 0.00 0.00 175.22 177.56 3ibo n ASN 16 N 0.06 3.53 -3.59 1.36 2.04 -1.00 -4.84 115.26 112.82 3ibo n ASN 16 Ca -0.05 -3.11 -0.10 0.00 -0.44 0.00 0.00 54.58 50.89 3ibo n ASN 16 Cb 0.52 -0.73 -0.06 0.00 -2.53 0.00 0.00 39.78 36.98 3ibo n ASN 16 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 3ibo s THR 17 N -2.28 0.00 0.00 5.53 -1.32 -1.26 -4.93 115.64 111.37 3ibo s THR 17 Ca 0.39 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.87 3ibo s THR 17 Cb 0.33 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 3ibo s THR 17 CO 0.08 0.00 0.68 -0.46 -2.21 0.00 0.00 174.62 172.71 3ibo n ASN 18 N 1.14 0.84 -3.66 8.08 0.23 -1.26 -4.84 115.26 115.80 3ibo n ASN 18 Ca -0.11 -1.41 -0.06 0.00 -0.53 0.00 0.00 54.58 52.47 3ibo n ASN 18 Cb 0.57 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.19 3ibo n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ibo s ALA 19 N -0.41 -1.41 -0.08 -2.53 0.00 -1.26 -1.11 121.76 114.96 3ibo s ALA 19 Ca 0.00 1.75 0.03 0.00 0.00 0.00 0.00 51.96 53.74 3ibo s ALA 19 Cb 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.68 3ibo s ALA 19 CO 0.00 -0.80 -0.16 0.42 0.00 0.00 0.00 175.76 175.23 3ibo s ILE 20 N 2.67 1.41 -0.19 0.00 1.01 0.14 -4.97 121.20 121.27 3ibo s ILE 20 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3ibo s ILE 20 Cb -0.12 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.10 3ibo s ILE 20 CO -0.15 0.42 -0.17 0.42 0.00 0.00 0.00 174.94 175.46 3ibo s THR 21 N 0.61 2.32 -0.13 2.92 -4.23 -1.26 -2.52 115.64 113.35 3ibo s THR 21 Ca -0.15 -0.85 -0.18 0.00 -1.18 0.00 0.00 61.69 59.33 3ibo s THR 21 Cb -0.16 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 3ibo s THR 21 CO 0.05 0.52 0.47 -0.69 -0.54 0.00 0.00 174.62 174.43 3ibo s VAL 22 N 1.31 5.19 0.14 2.29 1.01 -0.08 -4.84 120.40 125.41 3ibo s VAL 22 Ca 0.05 0.93 -0.31 0.00 0.00 0.00 0.00 61.98 62.65 3ibo s VAL 22 Cb -0.13 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 3ibo s VAL 22 CO -0.11 0.31 1.34 -0.62 0.00 0.00 0.00 175.10 176.03 3ibo s ASP 23 N 0.67 6.88 0.54 3.32 -1.08 -1.26 -1.45 116.67 124.29 3ibo s ASP 23 Ca 0.25 2.32 0.27 0.00 -0.52 0.00 0.00 52.55 54.88 3ibo s ASP 23 Cb -0.15 -2.59 1.55 0.00 -1.46 0.00 0.00 42.92 40.27 3ibo s ASP 23 CO 0.10 -0.59 2.13 0.11 0.52 0.00 0.00 175.17 177.44 3ibo h LYS 24 N 6.27 0.00 0.00 4.34 1.57 -1.97 -2.37 116.57 124.42 3ibo h LYS 24 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3ibo h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3ibo h LYS 24 CO 0.82 0.08 0.00 -1.13 -0.57 0.00 0.00 179.45 178.66 3ibo n SER 25 N -3.75 0.24 -4.73 0.86 3.41 -1.26 -4.80 113.62 103.59 3ibo n SER 25 Ca -0.02 0.53 -0.41 0.00 -0.26 0.00 0.00 58.87 58.70 3ibo n SER 25 Cb 0.18 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 3ibo n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ibo h LYS 27 N 5.55 0.49 -4.97 0.00 3.64 -1.88 -3.42 116.57 115.97 3ibo h LYS 27 Ca -0.44 -0.84 -0.30 0.00 -1.27 0.00 0.00 60.65 57.80 3ibo h LYS 27 Cb 1.21 0.31 -0.15 0.00 -0.41 0.00 0.00 32.23 33.19 3ibo h LYS 27 CO 0.75 1.40 -0.71 -0.65 -2.27 0.00 0.00 179.45 177.96 3ibo s GLN 28 N -2.58 0.98 -0.04 1.90 -0.21 -1.26 -1.45 119.66 117.00 3ibo s GLN 28 Ca -0.11 -1.38 0.02 0.00 0.02 0.00 0.00 55.36 53.91 3ibo s GLN 28 Cb 0.04 -0.52 0.01 0.00 1.00 0.00 0.00 33.01 33.54 3ibo s GLN 28 CO 0.92 0.06 -0.08 0.12 -2.12 0.00 0.00 175.29 174.18 3ibo s PHE 29 N -3.24 1.00 -0.05 0.91 5.36 -0.45 -4.83 117.98 116.67 3ibo s PHE 29 Ca 0.14 -0.29 0.04 0.00 -0.96 0.00 0.00 56.93 55.86 3ibo s PHE 29 Cb 0.02 -0.76 -0.02 0.00 -0.34 0.00 0.00 43.02 41.92 3ibo s PHE 29 CO -0.01 -0.16 -0.18 0.99 -1.46 0.00 0.00 175.22 174.40 3ibo s THR 30 N 0.51 2.75 -0.16 0.12 2.01 -0.61 -1.87 115.64 118.40 3ibo s THR 30 Ca -0.08 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.10 3ibo s THR 30 Cb -0.12 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.35 3ibo s THR 30 CO 0.01 0.58 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.63 3ibo s VAL 31 N -0.52 1.99 -0.42 3.82 1.01 0.01 -1.55 120.40 124.73 3ibo s VAL 31 Ca 0.07 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 3ibo s VAL 31 Cb -0.11 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.56 3ibo s VAL 31 CO 0.01 0.53 0.27 0.20 0.00 0.00 0.00 175.10 176.12 3ibo s ASN 32 N 1.11 5.67 -0.12 3.32 0.02 -0.43 -1.62 114.94 122.89 3ibo s ASN 32 Ca -0.00 -1.51 -0.13 0.00 -1.02 0.00 0.00 52.86 50.20 3ibo s ASN 32 Cb -0.14 -2.00 -0.05 0.00 0.02 0.00 0.00 41.25 39.08 3ibo s ASN 32 CO -0.08 -0.55 0.28 -0.22 0.02 0.00 0.00 177.10 176.55 3ibo s LEU 33 N 1.43 4.32 0.22 0.60 2.96 -0.02 -0.87 118.68 127.33 3ibo s LEU 33 Ca 0.03 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 3ibo s LEU 33 Cb -0.23 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 3ibo s LEU 33 CO 0.02 0.21 0.03 -0.94 -1.32 0.00 0.00 176.35 174.35 3ibo s SER 34 N -0.14 1.43 -0.40 3.68 1.04 -0.43 -1.93 113.70 116.95 3ibo s SER 34 Ca 0.17 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.36 3ibo s SER 34 Cb -0.13 0.09 0.14 0.00 0.10 0.00 0.00 66.02 66.22 3ibo s SER 34 CO 0.06 -0.61 0.23 -2.28 0.98 0.00 0.00 173.24 171.62 3ibo s HIS 35 N -3.61 1.37 0.64 5.02 2.46 -1.24 -1.43 115.29 118.50 3ibo s HIS 35 Ca 0.30 -2.06 -0.15 0.00 0.47 0.00 0.00 55.06 53.62 3ibo s HIS 35 Cb 0.07 -1.40 -0.01 0.00 -0.13 0.00 0.00 32.58 31.10 3ibo s HIS 35 CO 0.09 -0.80 1.09 -1.25 -2.47 0.00 0.00 174.74 171.40 3ibo s PRO 36 N 0.65 2.97 0.00 2.88 0.04 -1.24 -2.52 135.00 137.78 3ibo s PRO 36 Ca 0.19 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3ibo s PRO 36 Cb -0.22 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3ibo s PRO 36 CO -0.01 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.34 3ibo n GLY 37 N -0.65 0.21 0.00 0.56 0.00 -1.26 -3.83 105.19 100.22 3ibo n GLY 37 Ca 0.10 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3ibo n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ibo n ASN 38 N 0.00 0.15 -4.73 1.61 3.02 -1.26 -4.66 115.26 109.38 3ibo n ASN 38 Ca 0.00 -0.49 -0.41 0.00 -0.03 0.00 0.00 54.58 53.64 3ibo n ASN 38 Cb 0.00 0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 39.73 3ibo n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ibo s LEU 39 N -1.19 4.49 1.04 3.41 1.43 -1.26 -4.86 118.68 121.72 3ibo s LEU 39 Ca 0.00 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.92 3ibo s LEU 39 Cb 0.00 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.83 3ibo s LEU 39 CO 0.00 -0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.35 3ibo s PRO 40 N -0.10 0.11 0.35 1.29 0.04 -1.26 -2.24 135.00 133.19 3ibo s PRO 40 Ca 0.49 0.45 0.02 0.00 0.04 0.00 0.00 61.00 61.99 3ibo s PRO 40 Cb -0.27 -1.71 0.63 0.00 0.04 0.00 0.00 34.50 33.19 3ibo s PRO 40 CO 0.32 -2.93 2.01 -0.22 0.04 0.00 0.00 177.00 176.22 3ibo h LYS 41 N -2.03 0.85 0.00 4.56 3.64 -1.86 -0.20 116.57 121.53 3ibo h LYS 41 Ca -0.55 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 3ibo h LYS 41 Cb 1.33 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3ibo h LYS 41 CO 0.56 0.56 0.00 0.27 -2.27 0.00 0.00 179.45 178.57 3ibo n ASN 42 N -4.44 0.64 -0.08 4.20 6.94 -1.26 -1.99 115.26 119.26 3ibo n ASN 42 Ca 0.07 0.58 -0.14 0.00 -0.02 0.00 0.00 54.58 55.07 3ibo n ASN 42 Cb 0.05 -0.74 -0.07 0.00 -2.36 0.00 0.00 39.78 36.65 3ibo n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3ibo n VAL 43 N -2.12 0.92 -2.67 3.53 0.31 -1.05 -4.84 118.33 112.42 3ibo n VAL 43 Ca 0.05 -0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 63.97 3ibo n VAL 43 Cb 0.36 -1.31 0.03 0.00 -0.91 0.00 0.00 33.84 32.02 3ibo n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3ibo n MET 44 N -3.26 1.26 -2.64 5.55 0.00 -0.11 -5.03 117.12 112.89 3ibo n MET 44 Ca -0.30 -3.32 -0.36 0.00 -0.00 0.00 0.00 57.70 53.71 3ibo n MET 44 Cb 0.78 -1.31 -0.05 0.00 0.00 0.00 0.00 33.22 32.64 3ibo n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3ibo s GLY 45 N -3.12 2.71 0.04 -5.12 0.00 -0.84 -4.77 107.32 96.21 3ibo s GLY 45 Ca 0.29 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.65 3ibo s GLY 45 CO 0.02 1.03 -0.10 0.30 0.00 0.00 0.00 173.10 174.35 3ibo s HIS 46 N -1.72 0.84 0.17 1.90 3.76 -0.38 -4.68 115.29 115.18 3ibo s HIS 46 Ca 0.56 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 3ibo s HIS 46 Cb -0.19 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 3ibo s HIS 46 CO 0.25 -0.02 0.06 0.54 -0.85 0.00 0.00 174.74 174.71 3ibo s ASN 47 N -1.28 0.67 -0.22 1.40 2.20 -1.26 -0.31 114.94 116.14 3ibo s ASN 47 Ca -0.04 -1.25 0.02 0.00 -0.94 0.00 0.00 52.86 50.64 3ibo s ASN 47 Cb -0.08 0.24 0.04 0.00 -2.00 0.00 0.00 41.25 39.45 3ibo s ASN 47 CO 0.01 -0.70 -0.14 0.86 -2.94 0.00 0.00 177.10 174.19 3ibo s TRP 48 N -3.91 2.89 -0.05 1.54 -0.00 -1.26 -3.98 118.94 114.17 3ibo s TRP 48 Ca 0.28 -1.92 0.05 0.00 -0.00 0.00 0.00 56.10 54.51 3ibo s TRP 48 Cb 0.07 -1.85 -0.01 0.00 -0.00 0.00 0.00 33.47 31.68 3ibo s TRP 48 CO 0.06 -0.82 -0.20 0.08 -0.00 0.00 0.00 176.95 176.06 3ibo s VAL 49 N 1.24 1.69 -0.11 5.86 1.01 -0.12 -1.36 120.40 128.61 3ibo s VAL 49 Ca -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3ibo s VAL 49 Cb -0.17 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3ibo s VAL 49 CO -0.08 0.48 -0.18 -0.22 0.00 0.00 0.00 175.10 175.10 3ibo s LEU 50 N -0.05 2.47 0.35 3.92 2.96 0.14 -1.33 118.68 127.14 3ibo s LEU 50 Ca -0.04 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 3ibo s LEU 50 Cb -0.12 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.06 3ibo s LEU 50 CO 0.03 0.19 0.58 -0.94 -1.32 0.00 0.00 176.35 174.89 3ibo s SER 51 N 0.21 0.56 0.69 3.68 1.04 -0.91 -0.41 113.70 118.57 3ibo s SER 51 Ca -0.11 -1.34 -0.11 0.00 0.48 0.00 0.00 55.95 54.87 3ibo s SER 51 Cb -0.16 0.73 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3ibo s SER 51 CO 0.06 -1.43 1.06 0.42 0.98 0.00 0.00 173.24 174.34 3ibo s THR 52 N -2.85 4.00 0.34 2.02 -4.23 -1.26 -0.75 115.64 112.91 3ibo s THR 52 Ca 0.25 0.66 0.04 0.00 -1.18 0.00 0.00 61.69 61.46 3ibo s THR 52 Cb -0.02 -3.38 0.28 0.00 1.34 0.00 0.00 72.50 70.72 3ibo s THR 52 CO 0.17 -0.84 1.96 0.00 -0.54 0.00 0.00 174.62 175.37 3ibo h ALA 53 N -0.69 1.62 -0.04 3.99 0.00 -1.55 -2.25 119.26 120.34 3ibo h ALA 53 Ca -0.44 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 3ibo h ALA 53 Cb 1.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ibo h ALA 53 CO 0.57 0.28 -0.53 0.00 0.00 0.00 0.00 179.25 179.57 3ibo h ALA 54 N 1.58 1.03 -0.00 0.00 0.00 -1.92 -3.16 119.26 116.78 3ibo h ALA 54 Ca 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ibo h ALA 54 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ibo h ALA 54 CO -0.10 0.67 -0.32 -0.25 0.00 0.00 0.00 179.25 179.26 3ibo n ASP 55 N -3.92 0.62 0.04 0.00 8.00 -0.88 -4.51 116.55 115.90 3ibo n ASP 55 Ca -0.02 -0.44 -0.11 0.00 0.71 0.00 0.00 54.79 54.93 3ibo n ASP 55 Cb 0.55 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.70 3ibo n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3ibo h MET 56 N 0.47 -0.43 -0.77 -1.24 4.05 -1.44 -2.52 114.93 113.05 3ibo h MET 56 Ca 0.00 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3ibo h MET 56 Cb 0.48 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 3ibo h MET 56 CO 0.00 -0.29 0.51 0.37 0.23 0.00 0.00 176.91 177.73 3ibo h GLN 57 N -0.45 1.01 -0.51 0.39 5.75 -1.82 -1.48 115.11 118.00 3ibo h GLN 57 Ca 0.07 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.39 3ibo h GLN 57 Cb 0.55 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3ibo h GLN 57 CO -0.30 0.67 -0.17 0.78 -2.65 0.00 0.00 178.83 177.16 3ibo h GLY 58 N 1.04 1.10 1.08 2.39 0.00 -1.82 -0.55 103.07 106.31 3ibo h GLY 58 Ca 0.28 -0.94 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 3ibo h GLY 58 CO -0.06 0.86 -0.18 -2.08 0.00 0.00 0.00 176.54 175.07 3ibo h VAL 59 N 0.88 1.27 -0.08 4.60 2.07 -1.03 -1.26 116.25 122.71 3ibo h VAL 59 Ca 0.12 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3ibo h VAL 59 Cb 0.75 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3ibo h VAL 59 CO 0.06 0.46 0.01 0.58 0.02 0.00 0.00 177.57 178.70 3ibo h VAL 60 N 0.80 1.23 -0.20 2.57 2.07 -1.13 0.31 116.25 121.89 3ibo h VAL 60 Ca 0.11 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3ibo h VAL 60 Cb 0.75 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3ibo h VAL 60 CO 0.06 0.20 0.06 0.74 0.02 0.00 0.00 177.57 178.65 3ibo h THR 61 N -0.13 1.19 0.00 2.57 2.02 -1.09 -1.32 112.91 116.16 3ibo h THR 61 Ca 0.02 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 3ibo h THR 61 Cb 0.30 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3ibo h THR 61 CO 0.00 0.19 -0.30 0.44 0.37 0.00 0.00 175.52 176.23 3ibo h ASP 62 N 0.15 0.00 -0.23 4.18 3.32 -1.27 -2.85 116.42 119.72 3ibo h ASP 62 Ca 0.06 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3ibo h ASP 62 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3ibo h ASP 62 CO -0.00 0.30 -0.21 1.23 -1.72 0.00 0.00 179.24 178.83 3ibo h GLY 63 N 2.14 0.59 1.05 2.75 0.00 -0.64 -2.52 103.07 106.43 3ibo h GLY 63 Ca -0.00 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.73 3ibo h GLY 63 CO 0.04 0.54 0.62 1.98 0.00 0.00 0.00 176.54 179.72 3ibo h MET 64 N 0.24 1.27 -0.04 4.80 1.85 -1.10 -2.34 114.93 119.60 3ibo h MET 64 Ca 0.04 -0.09 -0.06 0.00 -0.61 0.00 0.00 59.70 58.98 3ibo h MET 64 Cb 0.76 -0.28 -0.01 0.00 0.43 0.00 0.00 31.60 32.50 3ibo h MET 64 CO 0.05 0.85 -0.25 0.00 -0.40 0.00 0.00 176.91 177.17 3ibo h ALA 65 N 1.38 1.52 0.00 0.39 0.00 -1.39 -3.09 119.26 118.07 3ibo h ALA 65 Ca 0.35 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3ibo h ALA 65 Cb -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ibo h ALA 65 CO -0.07 0.36 -0.41 0.77 0.00 0.00 0.00 179.25 179.89 3ibo h SER 66 N 0.06 0.00 -4.58 0.00 0.02 -0.97 -3.50 113.55 104.58 3ibo h SER 66 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3ibo h SER 66 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3ibo h SER 66 CO 0.03 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.75 3ibo n GLY 67 N 0.09 -0.00 0.34 -3.77 0.00 -1.17 -4.43 105.19 96.26 3ibo n GLY 67 Ca -0.01 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 3ibo n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ibo h LEU 68 N 0.00 0.99 -2.18 0.99 5.85 -1.92 -1.12 115.31 117.93 3ibo h LEU 68 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3ibo h LEU 68 Cb 0.00 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 3ibo h LEU 68 CO 0.00 0.68 -0.04 -2.24 -0.34 0.00 0.00 178.44 176.49 3ibo h ASP 69 N 1.15 0.00 -0.41 1.25 2.03 -2.02 -1.58 116.42 116.84 3ibo h ASP 69 Ca 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 3ibo h ASP 69 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3ibo h ASP 69 CO -0.12 0.04 0.00 0.29 -1.03 0.00 0.00 179.24 178.42 3ibo n LYS 70 N -3.31 3.85 -2.41 4.15 5.02 -1.03 -4.94 118.16 119.49 3ibo n LYS 70 Ca -0.02 -2.99 -0.16 0.00 -2.02 0.00 0.00 58.31 53.12 3ibo n LYS 70 Cb 0.19 -2.04 -0.01 0.00 -0.02 0.00 0.00 35.03 33.16 3ibo n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ibo n ASP 71 N 0.03 -4.86 -3.66 4.39 9.92 -0.59 -2.03 116.55 119.74 3ibo n ASP 71 Ca 0.24 0.10 -0.27 0.00 -0.53 0.00 0.00 54.79 54.33 3ibo n ASP 71 Cb 1.03 -4.09 0.04 0.00 -0.64 0.00 0.00 41.12 37.47 3ibo n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3ibo n TYR 72 N -3.67 -2.37 -4.06 1.24 4.01 -0.45 -4.63 117.16 107.23 3ibo n TYR 72 Ca -0.19 0.84 -0.15 0.00 -0.16 0.00 0.00 57.90 58.24 3ibo n TYR 72 Cb 0.65 -4.23 -0.15 0.00 -0.31 0.00 0.00 39.34 35.30 3ibo n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ibo s LEU 73 N -7.14 1.89 -0.01 7.72 1.43 -0.86 -4.21 118.68 117.49 3ibo s LEU 73 Ca 0.58 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 3ibo s LEU 73 Cb -0.28 -0.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 3ibo s LEU 73 CO 0.71 0.03 1.45 -0.75 0.23 0.00 0.00 176.35 178.02 3ibo s LYS 74 N 0.07 4.26 0.19 1.70 2.20 -1.26 -4.85 119.74 122.05 3ibo s LYS 74 Ca -0.00 2.01 -0.32 0.00 -0.36 0.00 0.00 55.97 57.30 3ibo s LYS 74 Cb -0.03 -3.65 -0.12 0.00 -1.51 0.00 0.00 37.83 32.52 3ibo s LYS 74 CO -0.00 -0.64 1.74 -2.30 -0.36 0.00 0.00 175.35 173.79 3ibo n PRO 75 N 5.73 2.77 -2.89 4.03 -0.02 -1.26 -2.74 135.00 140.62 3ibo n PRO 75 Ca 0.14 1.00 -0.21 0.00 -2.02 0.00 0.00 63.50 62.41 3ibo n PRO 75 Cb 0.43 -2.85 0.03 0.00 -0.02 0.00 0.00 33.50 31.09 3ibo n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ibo n ASP 76 N 4.29 -5.83 -4.63 2.55 9.92 -1.26 -4.92 116.55 116.67 3ibo n ASP 76 Ca 0.16 -0.23 -0.43 0.00 -0.53 0.00 0.00 54.79 53.76 3ibo n ASP 76 Cb 0.35 -4.68 -0.03 0.00 -0.64 0.00 0.00 41.12 36.12 3ibo n ASP 76 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3ibo s ASP 77 N -2.64 6.18 0.59 -2.24 -1.08 -1.11 -4.88 116.67 111.49 3ibo s ASP 77 Ca 0.24 1.84 0.35 0.00 -0.52 0.00 0.00 52.55 54.47 3ibo s ASP 77 Cb -0.11 -2.53 1.83 0.00 -1.46 0.00 0.00 42.92 40.66 3ibo s ASP 77 CO 0.30 -1.39 2.19 0.77 0.52 0.00 0.00 175.17 177.57 3ibo h SER 78 N 11.69 0.00 1.71 -0.34 4.64 -1.92 -2.45 113.55 126.87 3ibo h SER 78 Ca -0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3ibo h SER 78 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3ibo h SER 78 CO 0.98 0.04 -0.03 0.03 -0.87 0.00 0.00 176.83 176.98 3ibo h ARG 79 N 0.00 0.00 -5.92 4.77 3.08 -1.97 -3.43 114.38 110.91 3ibo h ARG 79 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3ibo h ARG 79 Cb 0.20 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.15 3ibo h ARG 79 CO 0.01 0.03 0.51 0.08 -1.07 0.00 0.00 179.97 179.53 3ibo s VAL 80 N -3.32 4.70 -0.01 2.04 1.01 -0.92 -4.46 120.40 119.44 3ibo s VAL 80 Ca 0.05 1.24 -0.19 0.00 0.00 0.00 0.00 61.98 63.08 3ibo s VAL 80 Cb 0.06 -4.24 -0.30 0.00 0.00 0.00 0.00 36.38 31.91 3ibo s VAL 80 CO 0.64 -0.36 0.99 0.40 0.00 0.00 0.00 175.10 176.77 3ibo h ILE 81 N 5.68 1.42 -2.65 2.22 2.04 -1.02 -3.48 117.51 121.73 3ibo h ILE 81 Ca -0.23 -2.45 -0.10 0.00 1.00 0.00 0.00 64.86 63.08 3ibo h ILE 81 Cb 1.09 2.97 -0.20 0.00 -0.74 0.00 0.00 36.82 39.93 3ibo h ILE 81 CO 0.93 0.71 -0.11 0.00 0.00 0.00 0.00 178.15 179.69 3ibo s ALA 82 N -2.72 -1.15 -0.16 1.87 0.00 -1.22 -5.01 121.76 113.38 3ibo s ALA 82 Ca -0.12 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 52.40 3ibo s ALA 82 Cb 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.16 3ibo s ALA 82 CO 0.87 -0.29 0.52 1.14 0.00 0.00 0.00 175.76 177.99 3ibo s GLN 83 N -1.12 0.68 0.48 0.00 -2.07 -1.26 -0.69 119.66 115.68 3ibo s GLN 83 Ca -0.11 0.55 0.08 0.00 -1.82 0.00 0.00 55.36 54.06 3ibo s GLN 83 Cb -0.03 0.33 0.03 0.00 -1.09 0.00 0.00 33.01 32.25 3ibo s GLN 83 CO 0.06 -0.12 0.65 0.95 -1.32 0.00 0.00 175.29 175.51 3ibo s THR 84 N -0.12 2.73 0.72 3.63 -4.23 -0.46 -4.83 115.64 113.08 3ibo s THR 84 Ca -0.03 -0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 3ibo s THR 84 Cb -0.03 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 71.11 3ibo s THR 84 CO 0.02 0.00 1.05 -0.54 -0.54 0.00 0.00 174.62 174.61 3ibo s LYS 85 N -4.48 2.17 -0.05 3.99 1.02 -1.26 -4.56 119.74 116.57 3ibo s LYS 85 Ca 0.57 -0.16 -0.29 0.00 0.02 0.00 0.00 55.97 56.11 3ibo s LYS 85 Cb -0.09 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 3ibo s LYS 85 CO 0.35 -1.30 0.95 -1.17 -0.92 0.00 0.00 175.35 173.25 3ibo s LEU 86 N -5.31 4.32 0.07 3.17 2.96 -1.26 -4.46 118.68 118.16 3ibo s LEU 86 Ca 0.60 1.54 0.09 0.00 -0.22 0.00 0.00 54.13 56.15 3ibo s LEU 86 Cb -0.11 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 3ibo s LEU 86 CO 0.46 -0.30 -0.25 0.27 -1.32 0.00 0.00 176.35 175.20 3ibo s ILE 87 N 1.32 2.07 0.20 6.68 -5.25 0.57 -4.89 121.20 121.91 3ibo s ILE 87 Ca 0.49 -1.46 0.03 0.00 -0.99 0.00 0.00 60.65 58.72 3ibo s ILE 87 Cb -0.20 -1.80 0.03 0.00 2.95 0.00 0.00 42.46 43.44 3ibo s ILE 87 CO 0.23 0.25 0.23 0.61 -1.79 0.00 0.00 174.94 174.47 3ibo n GLY 88 N 1.54 2.35 3.72 6.27 0.00 -1.26 -1.24 105.19 116.57 3ibo n GLY 88 Ca -0.17 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 3ibo n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibo s SER 89 N -2.22 6.55 0.00 1.61 1.04 -0.95 -2.33 113.70 117.40 3ibo s SER 89 Ca 0.17 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.26 3ibo s SER 89 Cb -0.01 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3ibo s SER 89 CO 0.11 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.09 3ibo n GLY 90 N 3.78 0.82 3.72 7.32 0.00 -1.05 -4.97 105.19 114.81 3ibo n GLY 90 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3ibo n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ibo s GLU 91 N -0.19 2.63 0.08 1.61 2.02 -0.98 -5.02 118.70 118.84 3ibo s GLU 91 Ca 0.00 -0.98 -0.07 0.00 0.02 0.00 0.00 54.97 53.94 3ibo s GLU 91 Cb 0.00 -2.50 -0.01 0.00 0.10 0.00 0.00 34.13 31.72 3ibo s GLU 91 CO 0.00 0.48 0.13 -1.59 0.02 0.00 0.00 175.26 174.29 3ibo s LYS 92 N -2.95 0.77 -0.08 1.61 -2.85 -1.26 -3.59 119.74 111.40 3ibo s LYS 92 Ca 0.29 -1.02 -0.25 0.00 -1.00 0.00 0.00 55.97 53.98 3ibo s LYS 92 Cb -0.10 0.30 0.06 0.00 -2.06 0.00 0.00 37.83 36.03 3ibo s LYS 92 CO 0.21 -0.22 0.58 0.34 0.10 0.00 0.00 175.35 176.36 3ibo s ASP 93 N -2.85 -0.55 0.07 0.03 2.15 -0.81 -5.04 116.67 109.66 3ibo s ASP 93 Ca 0.05 0.68 0.08 0.00 0.43 0.00 0.00 52.55 53.78 3ibo s ASP 93 Cb 0.06 0.63 -0.03 0.00 -0.30 0.00 0.00 42.92 43.27 3ibo s ASP 93 CO -0.11 -0.49 -0.21 -0.55 -0.17 0.00 0.00 175.17 173.64 3ibo s SER 94 N -0.92 2.52 -0.01 -0.34 0.15 -1.26 -0.84 113.70 112.99 3ibo s SER 94 Ca -0.09 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 55.97 3ibo s SER 94 Cb -0.02 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.12 3ibo s SER 94 CO 0.07 0.12 -0.01 0.54 1.20 0.00 0.00 173.24 175.17 3ibo s VAL 95 N -0.94 0.12 -0.03 4.45 0.11 -0.64 -4.94 120.40 118.53 3ibo s VAL 95 Ca 0.07 0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.18 3ibo s VAL 95 Cb -0.09 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 3ibo s VAL 95 CO 0.03 0.07 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.80 3ibo s THR 96 N 0.37 1.45 0.08 5.04 2.01 -1.26 -0.81 115.64 122.52 3ibo s THR 96 Ca -0.03 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.24 3ibo s THR 96 Cb -0.06 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 3ibo s THR 96 CO -0.01 0.41 -0.08 0.72 -0.69 0.00 0.00 174.62 174.97 3ibo s PHE 97 N -0.21 0.88 0.13 4.92 -0.71 -0.78 -4.97 117.98 117.23 3ibo s PHE 97 Ca 0.02 -0.68 -0.30 0.00 -1.04 0.00 0.00 56.93 54.93 3ibo s PHE 97 Cb -0.09 -0.50 -0.06 0.00 -1.21 0.00 0.00 43.02 41.15 3ibo s PHE 97 CO 0.01 -0.07 1.05 -0.51 -1.34 0.00 0.00 175.22 174.36 3ibo s ASP 98 N -2.31 7.34 0.37 1.98 -0.00 -1.26 -1.34 116.67 121.45 3ibo s ASP 98 Ca 0.02 1.94 0.27 0.00 -0.00 0.00 0.00 52.55 54.78 3ibo s ASP 98 Cb -0.03 -2.59 1.26 0.00 -0.00 0.00 0.00 42.92 41.55 3ibo s ASP 98 CO -0.01 -0.19 1.82 0.58 -0.00 0.00 0.00 175.17 177.36 3ibo h VAL 99 N 3.99 0.00 0.00 -1.27 2.07 -1.51 -2.51 116.25 117.02 3ibo h VAL 99 Ca -0.43 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3ibo h VAL 99 Cb 1.21 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3ibo h VAL 99 CO 0.73 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.09 3ibo h SER 100 N 0.00 0.00 1.44 0.57 4.64 -1.90 -2.12 113.55 116.18 3ibo h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ibo h SER 100 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3ibo h SER 100 CO 0.00 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.24 3ibo n LYS 101 N -2.39 0.25 -3.99 4.77 5.02 -0.95 -4.80 118.16 116.08 3ibo n LYS 101 Ca 0.02 0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 56.17 3ibo n LYS 101 Cb 0.24 -1.79 -0.06 0.00 -0.02 0.00 0.00 35.03 33.40 3ibo n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ibo s LEU 102 N -4.45 4.17 0.17 -0.35 1.43 -0.80 -5.12 118.68 113.73 3ibo s LEU 102 Ca 0.11 0.27 0.11 0.00 -1.03 0.00 0.00 54.13 53.59 3ibo s LEU 102 Cb 0.13 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 3ibo s LEU 102 CO 0.60 0.28 -0.24 -1.59 0.23 0.00 0.00 176.35 175.63 3ibo s LYS 103 N -1.76 1.52 0.31 1.70 -2.85 -1.26 -5.02 119.74 112.37 3ibo s LYS 103 Ca 0.24 -1.43 -0.29 0.00 -1.00 0.00 0.00 55.97 53.49 3ibo s LYS 103 Cb -0.12 -1.90 -0.11 0.00 -2.06 0.00 0.00 37.83 33.64 3ibo s LYS 103 CO 0.15 0.42 1.44 -1.21 0.10 0.00 0.00 175.35 176.26 3ibo s GLU 104 N -2.43 4.23 0.00 1.78 2.02 -1.26 -2.96 118.70 120.08 3ibo s GLU 104 Ca 0.18 2.39 0.00 0.00 0.02 0.00 0.00 54.97 57.56 3ibo s GLU 104 Cb -0.09 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.09 3ibo s GLU 104 CO 0.09 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.36 3ibo n GLY 105 N 1.42 3.05 3.75 -1.39 0.00 -1.26 -5.00 105.19 105.75 3ibo n GLY 105 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3ibo n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ibo s GLU 106 N -0.22 4.74 -0.28 1.61 2.56 -1.15 -5.02 118.70 120.94 3ibo s GLU 106 Ca 0.00 1.59 -0.11 0.00 0.00 0.00 0.00 54.97 56.44 3ibo s GLU 106 Cb 0.00 -3.28 -0.05 0.00 2.00 0.00 0.00 34.13 32.80 3ibo s GLU 106 CO 0.00 0.33 0.20 -0.65 -0.56 0.00 0.00 175.26 174.58 3ibo s GLN 107 N -0.91 3.96 0.27 4.30 -1.52 -1.26 -4.67 119.66 119.83 3ibo s GLN 107 Ca 0.44 -0.30 0.07 0.00 -1.95 0.00 0.00 55.36 53.62 3ibo s GLN 107 Cb -0.27 -3.65 -0.03 0.00 -0.22 0.00 0.00 33.01 28.83 3ibo s GLN 107 CO 0.34 -0.17 0.23 0.71 -0.25 0.00 0.00 175.29 176.15 3ibo s TYR 108 N 1.74 3.11 -0.03 0.91 2.02 -0.25 -1.52 117.35 123.32 3ibo s TYR 108 Ca 0.07 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3ibo s TYR 108 Cb -0.16 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 3ibo s TYR 108 CO 0.11 0.45 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.80 3ibo s MET 109 N -3.89 1.08 -0.04 -0.62 -1.94 0.07 -1.53 119.30 112.43 3ibo s MET 109 Ca 0.34 -0.32 0.01 0.00 -1.71 0.00 0.00 55.69 54.01 3ibo s MET 109 Cb -0.08 -0.99 -0.03 0.00 2.01 0.00 0.00 34.83 35.74 3ibo s MET 109 CO 0.26 0.10 -0.04 -0.59 -0.01 0.00 0.00 175.02 174.74 3ibo s PHE 110 N 0.28 3.01 0.20 -0.03 -0.71 -0.32 -2.13 117.98 118.27 3ibo s PHE 110 Ca -0.05 0.07 -0.23 0.00 -1.04 0.00 0.00 56.93 55.68 3ibo s PHE 110 Cb -0.10 -1.70 0.05 0.00 -1.21 0.00 0.00 43.02 40.06 3ibo s PHE 110 CO 0.01 0.40 0.78 -0.59 -1.34 0.00 0.00 175.22 174.48 3ibo s PHE 111 N -0.93 -0.26 -0.14 3.49 -0.71 -0.44 -0.79 117.98 118.21 3ibo s PHE 111 Ca 0.15 -0.08 -0.06 0.00 -1.04 0.00 0.00 56.93 55.90 3ibo s PHE 111 Cb -0.11 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 3ibo s PHE 111 CO 0.05 -0.99 0.08 0.00 -1.34 0.00 0.00 175.22 173.02 3ibo n THR 113 N 2.63 0.42 -1.95 0.00 -2.24 -1.26 -3.59 114.28 108.28 3ibo n THR 113 Ca -0.18 -0.65 -0.41 0.00 -2.27 0.00 0.00 64.05 60.54 3ibo n THR 113 Cb 0.54 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 3ibo n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3ibo s PHE 114 N -1.58 2.94 -0.39 4.78 5.36 -1.26 -4.39 117.98 123.43 3ibo s PHE 114 Ca 0.37 0.98 -0.45 0.00 -0.96 0.00 0.00 56.93 56.86 3ibo s PHE 114 Cb 0.22 -3.88 -0.20 0.00 -0.34 0.00 0.00 43.02 38.81 3ibo s PHE 114 CO 0.30 -2.89 1.51 -2.30 -1.46 0.00 0.00 175.22 170.38 3ibo n PRO 115 N 2.20 0.07 0.00 10.12 -0.02 -1.26 -1.29 135.00 144.82 3ibo n PRO 115 Ca 0.07 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3ibo n PRO 115 Cb 0.39 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3ibo n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ibo n GLY 116 N 3.54 2.50 0.28 -1.23 0.00 -1.26 -4.87 105.19 104.15 3ibo n GLY 116 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.32 3ibo n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3ibo h HIS 117 N 0.00 0.48 0.00 1.61 3.86 -1.47 -2.91 115.15 116.72 3ibo h HIS 117 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3ibo h HIS 117 Cb 0.00 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.33 3ibo h HIS 117 CO 0.00 0.44 0.00 -1.13 0.86 0.00 0.00 177.93 178.10 3ibo n SER 118 N -4.34 0.00 0.10 2.45 3.41 -1.24 -0.88 113.62 113.13 3ibo n SER 118 Ca 0.01 0.36 0.04 0.00 -0.26 0.00 0.00 58.87 59.03 3ibo n SER 118 Cb 0.19 -0.39 0.45 0.00 -0.26 0.00 0.00 64.21 64.20 3ibo n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ibo h ALA 119 N 2.18 1.68 0.00 7.33 0.00 -1.88 -3.32 119.26 125.25 3ibo h ALA 119 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ibo h ALA 119 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ibo h ALA 119 CO 0.00 0.25 -0.92 1.28 0.00 0.00 0.00 179.25 179.86 3ibo n LEU 120 N -4.41 1.77 -4.09 0.00 4.77 -0.90 -4.92 117.00 109.23 3ibo n LEU 120 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 3ibo n LEU 120 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3ibo n LEU 120 CO 0.36 0.30 2.17 0.23 -1.33 0.00 0.00 177.39 179.12 3ibo n MET 121 N -2.23 3.18 -3.63 3.23 2.81 -0.05 -4.78 117.12 115.64 3ibo n MET 121 Ca 0.00 -3.15 -0.15 0.00 -1.81 0.00 0.00 57.70 52.59 3ibo n MET 121 Cb 0.46 -3.24 -0.07 0.00 -0.71 0.00 0.00 33.22 29.67 3ibo n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3ibo s LYS 122 N 2.67 0.91 0.24 0.03 -2.85 -1.26 -2.23 119.74 117.25 3ibo s LYS 122 Ca 0.47 -0.08 -0.22 0.00 -1.00 0.00 0.00 55.97 55.14 3ibo s LYS 122 Cb 0.08 0.41 0.05 0.00 -2.06 0.00 0.00 37.83 36.32 3ibo s LYS 122 CO -0.01 -0.29 0.88 0.20 0.10 0.00 0.00 175.35 176.23 3ibo s GLY 123 N -1.51 -0.01 0.16 0.59 0.00 0.03 -4.77 107.32 101.80 3ibo s GLY 123 Ca -0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 44.72 44.30 3ibo s GLY 123 CO 0.04 0.37 0.45 -0.51 0.00 0.00 0.00 173.10 173.45 3ibo s THR 124 N -3.04 5.05 -0.09 0.90 -4.23 -0.27 -1.18 115.64 112.78 3ibo s THR 124 Ca 0.14 0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 3ibo s THR 124 Cb -0.03 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 70.22 3ibo s THR 124 CO 0.06 0.06 0.21 -0.22 -0.54 0.00 0.00 174.62 174.19 3ibo s LEU 125 N -2.52 0.33 0.20 4.79 0.20 -0.58 -0.69 118.68 120.41 3ibo s LEU 125 Ca 0.41 0.44 -0.17 0.00 0.69 0.00 0.00 54.13 55.51 3ibo s LEU 125 Cb -0.12 0.55 0.02 0.00 -0.43 0.00 0.00 46.19 46.21 3ibo s LEU 125 CO 0.22 -0.18 0.51 -1.38 -0.29 0.00 0.00 176.35 175.22 3ibo s HIS 126 N 1.56 -0.06 0.33 5.38 -3.43 -1.05 -1.09 115.29 116.93 3ibo s HIS 126 Ca -0.06 -0.29 -0.26 0.00 -0.80 0.00 0.00 55.06 53.65 3ibo s HIS 126 Cb -0.11 0.36 -0.10 0.00 -1.43 0.00 0.00 32.58 31.30 3ibo s HIS 126 CO -0.07 -0.92 0.97 -0.51 -2.00 0.00 0.00 174.74 172.21 3ibo s LEU 127 N -2.89 4.32 0.00 5.38 1.43 -1.26 -0.91 118.68 124.76 3ibo s LEU 127 Ca 0.10 1.90 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 3ibo s LEU 127 Cb -0.01 -4.01 0.41 0.00 0.03 0.00 0.00 46.19 42.60 3ibo s LEU 127 CO -0.02 -0.14 0.87 0.29 0.23 0.00 0.00 176.35 177.58