#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iob n PRO 2 N 0.00 0.82 -5.17 0.00 -0.04 -1.26 -4.76 135.00 124.59 1iob n PRO 2 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1iob n PRO 2 Cb 0.00 -1.09 -0.16 0.00 -0.04 0.00 0.00 33.50 32.21 1iob n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iob s VAL 3 N 0.29 1.93 -0.28 0.52 -7.23 -1.26 -4.68 120.40 109.69 1iob s VAL 3 Ca 0.00 -0.99 -0.16 0.00 -1.81 0.00 0.00 61.98 59.02 1iob s VAL 3 Cb 0.00 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 1iob s VAL 3 CO 0.00 0.54 0.42 -0.13 -0.31 0.00 0.00 175.10 175.62 1iob s ARG 4 N -0.03 3.97 0.53 4.82 0.52 -1.26 -5.02 118.95 122.49 1iob s ARG 4 Ca -0.06 0.08 0.05 0.00 -0.52 0.00 0.00 55.73 55.27 1iob s ARG 4 Cb -0.14 -3.68 0.02 0.00 0.52 0.00 0.00 34.95 31.68 1iob s ARG 4 CO 0.04 -0.34 0.32 -1.12 0.02 0.00 0.00 175.30 174.22 1iob s SER 5 N 1.63 4.53 -0.30 0.23 0.01 -1.26 -1.99 113.70 116.56 1iob s SER 5 Ca 0.17 -1.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.00 1iob s SER 5 Cb -0.16 0.38 0.16 0.00 0.21 0.00 0.00 66.02 66.61 1iob s SER 5 CO 0.10 -1.02 0.85 -0.22 0.41 0.00 0.00 173.24 173.36 1iob s LEU 6 N -4.18 -0.82 0.31 2.44 2.96 -0.29 -4.91 118.68 114.19 1iob s LEU 6 Ca 0.29 1.03 -0.23 0.00 -0.22 0.00 0.00 54.13 55.00 1iob s LEU 6 Cb -0.01 1.90 -0.10 0.00 0.50 0.00 0.00 46.19 48.48 1iob s LEU 6 CO 0.18 -0.16 0.88 0.20 -1.32 0.00 0.00 176.35 176.14 1iob s ASN 7 N 2.66 7.19 0.04 3.68 0.02 -1.26 -0.39 114.94 126.89 1iob s ASN 7 Ca -0.02 1.69 -0.28 0.00 -1.02 0.00 0.00 52.86 53.23 1iob s ASN 7 Cb -0.09 -2.53 0.10 0.00 0.02 0.00 0.00 41.25 38.75 1iob s ASN 7 CO -0.18 -0.09 1.09 0.00 0.02 0.00 0.00 177.10 177.94 1iob s THR 9 N -2.88 1.95 0.06 0.00 -4.23 -0.43 -0.95 115.64 109.16 1iob s THR 9 Ca 0.12 -2.25 0.09 0.00 -1.18 0.00 0.00 61.69 58.47 1iob s THR 9 Cb 0.01 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 1iob s THR 9 CO -0.02 -0.53 -0.26 -0.76 -0.54 0.00 0.00 174.62 172.52 1iob s LEU 10 N -3.33 2.19 -0.03 4.79 1.43 -1.26 -1.67 118.68 120.80 1iob s LEU 10 Ca 0.24 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1iob s LEU 10 Cb -0.02 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1iob s LEU 10 CO 0.09 0.23 -0.03 -0.60 0.23 0.00 0.00 176.35 176.27 1iob s ARG 11 N -1.35 0.51 1.04 1.70 3.52 -0.68 -4.07 118.95 119.61 1iob s ARG 11 Ca 0.11 -0.06 -0.15 0.00 -0.13 0.00 0.00 55.73 55.51 1iob s ARG 11 Cb -0.10 -0.57 0.21 0.00 -1.56 0.00 0.00 34.95 32.93 1iob s ARG 11 CO 0.03 -0.04 1.13 0.16 -0.81 0.00 0.00 175.30 175.76 1iob s ASP 12 N 0.64 2.37 0.21 -2.12 1.47 -0.34 -1.05 116.67 117.85 1iob s ASP 12 Ca -0.07 0.87 0.21 0.00 1.18 0.00 0.00 52.55 54.74 1iob s ASP 12 Cb -0.11 -1.34 0.91 0.00 -0.34 0.00 0.00 42.92 42.04 1iob s ASP 12 CO -0.01 -3.25 1.64 -1.54 0.68 0.00 0.00 175.17 172.69 1iob n SER 13 N -4.21 0.52 -0.64 2.11 3.41 -0.51 0.07 113.62 114.37 1iob n SER 13 Ca 0.09 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 1iob n SER 13 Cb 0.59 -0.75 0.38 0.00 -0.26 0.00 0.00 64.21 64.17 1iob n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1iob n GLN 14 N -2.09 1.86 -1.77 4.33 -0.06 -1.26 -4.91 117.38 113.48 1iob n GLN 14 Ca 0.02 -1.27 -0.04 0.00 -2.00 0.00 0.00 57.00 53.70 1iob n GLN 14 Cb 0.19 -1.45 -0.01 0.00 -4.06 0.00 0.00 30.24 24.92 1iob n GLN 14 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1iob n GLN 15 N 0.51 -0.34 -3.38 3.69 -0.06 0.11 -5.02 117.38 112.90 1iob n GLN 15 Ca 0.17 0.36 -0.34 0.00 -2.00 0.00 0.00 57.00 55.19 1iob n GLN 15 Cb 0.40 -4.08 -0.06 0.00 -4.06 0.00 0.00 30.24 22.44 1iob n GLN 15 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1iob s LYS 16 N -3.61 3.90 0.16 3.69 1.02 -1.25 -4.69 119.74 118.96 1iob s LYS 16 Ca 0.00 0.40 0.03 0.00 0.02 0.00 0.00 55.97 56.42 1iob s LYS 16 Cb 0.00 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1iob s LYS 16 CO 0.00 0.40 0.24 -1.12 -0.92 0.00 0.00 175.35 173.95 1iob s SER 17 N -2.02 6.08 -0.05 2.83 0.01 -0.09 -1.19 113.70 119.26 1iob s SER 17 Ca 0.42 0.07 -0.09 0.00 1.31 0.00 0.00 55.95 57.67 1iob s SER 17 Cb -0.13 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.29 1iob s SER 17 CO 0.20 0.05 0.24 -0.76 0.41 0.00 0.00 173.24 173.38 1iob s LEU 18 N -3.23 4.40 -0.01 2.44 1.43 -1.26 -0.94 118.68 121.51 1iob s LEU 18 Ca 0.33 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 54.01 1iob s LEU 18 Cb -0.11 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.72 1iob s LEU 18 CO 0.27 0.34 0.07 0.68 0.23 0.00 0.00 176.35 177.94 1iob s VAL 19 N -1.13 0.05 -0.12 -1.59 -7.23 0.42 -1.63 120.40 109.17 1iob s VAL 19 Ca 0.21 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.65 1iob s VAL 19 Cb -0.13 -0.26 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 1iob s VAL 19 CO 0.10 -0.24 1.74 0.00 -0.31 0.00 0.00 175.10 176.40 1iob s MET 20 N -0.77 3.92 0.00 4.82 0.23 -1.26 -0.15 119.30 126.09 1iob s MET 20 Ca -0.09 2.04 0.00 0.00 -1.03 0.00 0.00 55.69 56.61 1iob s MET 20 Cb -0.05 -4.07 0.00 0.00 -1.53 0.00 0.00 34.83 29.18 1iob s MET 20 CO 0.00 -1.16 0.00 0.45 -2.03 0.00 0.00 175.02 172.28 1iob n SER 21 N 8.17 0.00 -1.79 -1.18 2.88 0.24 -4.86 113.62 117.07 1iob n SER 21 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1iob n SER 21 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1iob n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iob n GLY 22 N 2.89 0.33 0.08 0.46 0.00 -1.21 -4.88 105.19 102.86 1iob n GLY 22 Ca 0.00 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.35 1iob n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iob n PRO 23 N 0.00 0.18 -1.60 1.61 -0.04 -1.26 -3.60 135.00 130.29 1iob n PRO 23 Ca 0.00 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.71 1iob n PRO 23 Cb 0.00 -1.74 0.02 0.00 -0.04 0.00 0.00 33.50 31.74 1iob n PRO 23 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1iob n TYR 24 N -2.06 0.10 -3.95 0.54 4.01 -1.26 -5.05 117.16 109.49 1iob n TYR 24 Ca 0.05 -0.67 -0.11 0.00 -0.16 0.00 0.00 57.90 57.00 1iob n TYR 24 Cb 0.35 -0.08 -0.13 0.00 -0.31 0.00 0.00 39.34 39.17 1iob n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1iob s GLU 25 N -0.36 0.20 0.01 -0.72 0.41 -1.24 -4.00 118.70 113.00 1iob s GLU 25 Ca 0.30 -0.30 0.04 0.00 -0.41 0.00 0.00 54.97 54.60 1iob s GLU 25 Cb 0.35 -0.02 -0.03 0.00 -1.78 0.00 0.00 34.13 32.65 1iob s GLU 25 CO -0.14 -0.00 -0.10 -0.51 -0.49 0.00 0.00 175.26 174.01 1iob s LEU 26 N -0.68 2.99 0.09 1.80 1.43 -1.26 0.81 118.68 123.87 1iob s LEU 26 Ca -0.07 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1iob s LEU 26 Cb -0.05 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1iob s LEU 26 CO -0.00 0.28 -0.18 -0.75 0.23 0.00 0.00 176.35 175.92 1iob s LYS 27 N -1.40 1.02 -0.17 1.70 2.47 0.78 -1.59 119.74 122.55 1iob s LYS 27 Ca 0.16 -1.10 -0.02 0.00 -1.56 0.00 0.00 55.97 53.45 1iob s LYS 27 Cb -0.11 -1.16 -0.01 0.00 -1.46 0.00 0.00 37.83 35.08 1iob s LYS 27 CO 0.07 0.26 -0.08 0.00 0.16 0.00 0.00 175.35 175.76 1iob s ALA 28 N -1.28 2.75 0.04 3.13 0.00 -0.95 -0.44 121.76 125.02 1iob s ALA 28 Ca 0.04 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 1iob s ALA 28 Cb -0.10 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1iob s ALA 28 CO 0.04 -0.07 0.26 -0.48 0.00 0.00 0.00 175.76 175.50 1iob s LEU 29 N 0.87 1.10 -0.50 0.00 0.05 -0.12 -1.05 118.68 119.01 1iob s LEU 29 Ca -0.02 -0.28 -0.27 0.00 0.05 0.00 0.00 54.13 53.61 1iob s LEU 29 Cb -0.15 1.18 -0.02 0.00 -2.05 0.00 0.00 46.19 45.15 1iob s LEU 29 CO 0.01 -0.60 1.84 -1.00 -0.55 0.00 0.00 176.35 176.05 1iob s HIS 30 N -2.60 1.72 0.01 3.48 3.76 -1.26 -0.92 115.29 119.49 1iob s HIS 30 Ca -0.05 0.76 0.06 0.00 -0.15 0.00 0.00 55.06 55.69 1iob s HIS 30 Cb -0.01 -4.09 -0.03 0.00 1.11 0.00 0.00 32.58 29.56 1iob s HIS 30 CO -0.04 -2.51 -0.17 -1.17 -0.85 0.00 0.00 174.74 170.00 1iob s LEU 31 N 8.31 2.63 -0.13 0.89 2.96 -1.26 -4.98 118.68 127.10 1iob s LEU 31 Ca 0.72 -0.36 -0.27 0.00 -0.22 0.00 0.00 54.13 54.01 1iob s LEU 31 Cb -0.16 -1.53 0.06 0.00 0.50 0.00 0.00 46.19 45.06 1iob s LEU 31 CO 0.26 0.28 0.65 -1.58 -1.32 0.00 0.00 176.35 174.64 1iob s GLN 32 N -1.20 0.92 1.99 1.98 0.74 -1.26 -4.86 119.66 117.97 1iob s GLN 32 Ca 0.14 0.49 0.00 0.00 0.05 0.00 0.00 55.36 56.04 1iob s GLN 32 Cb -0.11 0.44 0.00 0.00 1.10 0.00 0.00 33.01 34.44 1iob s GLN 32 CO 0.04 -0.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 1iob n GLY 33 N 1.65 0.73 0.11 2.59 0.00 -1.26 -3.72 105.19 105.30 1iob n GLY 33 Ca -0.17 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 1iob n GLY 33 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1iob h GLN 34 N 0.00 0.00 0.00 1.61 7.50 -2.05 -2.92 115.11 119.25 1iob h GLN 34 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1iob h GLN 34 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1iob h GLN 34 CO 0.00 0.74 0.00 -3.47 -1.50 0.00 0.00 178.83 174.60 1iob n ASP 35 N -3.54 0.00 0.00 1.46 2.03 -1.24 -1.60 116.55 113.66 1iob n ASP 35 Ca -0.00 0.25 0.02 0.00 0.52 0.00 0.00 54.79 55.58 1iob n ASP 35 Cb 0.75 -0.32 0.12 0.00 -0.72 0.00 0.00 41.12 40.95 1iob n ASP 35 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1iob n MET 36 N -1.32 0.51 0.08 -0.67 2.81 -1.10 -2.78 117.12 114.65 1iob n MET 36 Ca 0.03 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.81 1iob n MET 36 Cb 0.05 -1.13 -0.06 0.00 -0.71 0.00 0.00 33.22 31.38 1iob n MET 36 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1iob h GLU 37 N 0.00 0.23 -0.66 0.03 -0.00 -1.57 -3.15 114.58 109.46 1iob h GLU 37 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 1iob h GLU 37 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.84 1iob h GLU 37 CO 0.00 1.05 0.00 0.00 -0.00 0.00 0.00 179.01 180.06 1iob n GLN 38 N -3.62 0.73 -3.19 1.06 10.64 -1.12 -4.77 117.38 117.13 1iob n GLN 38 Ca -0.05 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.73 1iob n GLN 38 Cb 0.87 -1.33 -0.06 0.00 -0.86 0.00 0.00 30.24 28.86 1iob n GLN 38 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1iob s GLN 39 N -1.10 4.32 0.17 2.61 0.74 -1.19 -4.17 119.66 121.04 1iob s GLN 39 Ca 0.00 0.80 -0.30 0.00 0.05 0.00 0.00 55.36 55.91 1iob s GLN 39 Cb 0.00 -3.30 -0.07 0.00 1.10 0.00 0.00 33.01 30.73 1iob s GLN 39 CO 0.00 0.46 0.98 0.08 -0.55 0.00 0.00 175.29 176.26 1iob s VAL 40 N -0.55 4.23 -0.21 1.34 1.01 -0.65 -4.99 120.40 120.59 1iob s VAL 40 Ca 0.31 1.99 -0.06 0.00 0.00 0.00 0.00 61.98 64.22 1iob s VAL 40 Cb -0.19 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1iob s VAL 40 CO 0.19 0.37 0.03 -0.69 0.00 0.00 0.00 175.10 175.00 1iob s VAL 41 N -0.45 4.20 0.20 2.92 1.01 -1.26 -4.62 120.40 122.39 1iob s VAL 41 Ca 0.45 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1iob s VAL 41 Cb -0.25 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1iob s VAL 41 CO 0.32 0.41 0.33 -0.36 0.00 0.00 0.00 175.10 175.81 1iob s PHE 42 N 1.00 3.47 -0.28 5.22 0.08 -0.13 -0.30 117.98 127.05 1iob s PHE 42 Ca 0.03 0.08 -0.03 0.00 0.12 0.00 0.00 56.93 57.12 1iob s PHE 42 Cb -0.14 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1iob s PHE 42 CO 0.02 0.46 -0.00 0.45 -0.10 0.00 0.00 175.22 176.05 1iob s SER 43 N -3.58 4.70 -0.21 1.36 0.15 0.32 -1.78 113.70 114.66 1iob s SER 43 Ca 0.35 -0.94 -0.15 0.00 0.70 0.00 0.00 55.95 55.91 1iob s SER 43 Cb -0.10 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 1iob s SER 43 CO 0.29 -0.19 0.36 -0.32 1.20 0.00 0.00 173.24 174.58 1iob s MET 44 N 1.35 4.15 -0.11 5.44 1.75 0.48 -2.18 119.30 130.18 1iob s MET 44 Ca -0.01 0.11 -0.00 0.00 -1.25 0.00 0.00 55.69 54.54 1iob s MET 44 Cb -0.18 -3.54 -0.02 0.00 2.84 0.00 0.00 34.83 33.93 1iob s MET 44 CO -0.02 -0.04 -0.09 -1.12 -0.65 0.00 0.00 175.02 173.10 1iob s SER 45 N 1.08 4.36 -0.52 1.11 0.01 -0.62 -1.14 113.70 117.99 1iob s SER 45 Ca 0.17 -0.19 -0.24 0.00 1.31 0.00 0.00 55.95 57.00 1iob s SER 45 Cb -0.15 -1.47 0.04 0.00 0.21 0.00 0.00 66.02 64.65 1iob s SER 45 CO 0.07 0.23 0.89 -0.36 0.41 0.00 0.00 173.24 174.48 1iob s PHE 46 N -0.02 2.86 0.28 2.43 0.40 -0.84 -1.28 117.98 121.80 1iob s PHE 46 Ca -0.02 0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.37 1iob s PHE 46 Cb -0.14 -3.95 0.04 0.00 0.51 0.00 0.00 43.02 39.47 1iob s PHE 46 CO 0.03 -1.24 0.30 1.33 0.70 0.00 0.00 175.22 176.34 1iob n VAL 47 N 6.17 0.00 -2.82 -0.44 0.24 -1.15 -4.54 118.33 115.79 1iob n VAL 47 Ca 0.02 -1.01 -0.39 0.00 -2.04 0.00 0.00 64.34 60.92 1iob n VAL 47 Cb 0.48 -0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 32.27 1iob n VAL 47 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1iob s GLN 48 N -3.20 4.69 0.00 7.34 -0.21 0.16 -4.73 119.66 123.71 1iob s GLN 48 Ca 0.23 1.35 0.00 0.00 0.02 0.00 0.00 55.36 56.95 1iob s GLN 48 Cb -0.02 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.87 1iob s GLN 48 CO 0.14 0.46 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 1iob n GLY 49 N 1.21 -0.97 3.42 3.09 0.00 -1.26 -4.83 105.19 105.85 1iob n GLY 49 Ca -0.02 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.60 1iob n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iob s GLU 50 N -1.08 3.37 0.77 1.61 0.41 -1.26 -4.98 118.70 117.55 1iob s GLU 50 Ca 0.00 -1.52 -0.11 0.00 -0.41 0.00 0.00 54.97 52.92 1iob s GLU 50 Cb 0.00 -4.58 0.06 0.00 -1.78 0.00 0.00 34.13 27.83 1iob s GLU 50 CO 0.00 -1.69 1.11 -2.00 -0.49 0.00 0.00 175.26 172.19 1iob s GLU 51 N 2.77 2.14 0.40 1.61 2.12 -1.26 -4.76 118.70 121.72 1iob s GLU 51 Ca 0.24 1.30 -0.14 0.00 0.36 0.00 0.00 54.97 56.73 1iob s GLU 51 Cb -0.12 -1.88 0.06 0.00 0.26 0.00 0.00 34.13 32.45 1iob s GLU 51 CO -0.02 -1.75 0.78 0.45 -0.54 0.00 0.00 175.26 174.19 1iob s SER 52 N -3.07 0.10 0.15 -1.70 0.15 0.87 -4.92 113.70 105.28 1iob s SER 52 Ca 0.64 -1.23 0.03 0.00 0.70 0.00 0.00 55.95 56.08 1iob s SER 52 Cb -0.19 0.86 -0.06 0.00 -1.71 0.00 0.00 66.02 64.91 1iob s SER 52 CO 0.53 -1.71 1.34 -1.13 1.20 0.00 0.00 173.24 173.47 1iob h ASN 53 N 2.00 0.21 0.00 5.45 -0.00 -2.01 -3.32 115.58 117.93 1iob h ASN 53 Ca -0.33 -0.19 0.00 0.00 -0.00 0.00 0.00 56.30 55.78 1iob h ASN 53 Cb 1.25 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 39.50 1iob h ASN 53 CO 0.43 1.03 -0.99 -0.90 -0.00 0.00 0.00 177.43 177.00 1iob n ASP 54 N -3.59 0.98 -4.09 1.15 5.68 -1.26 -4.92 116.55 110.51 1iob n ASP 54 Ca -0.03 -0.57 -0.30 0.00 -0.50 0.00 0.00 54.79 53.39 1iob n ASP 54 Cb 0.85 1.21 -0.17 0.00 -1.14 0.00 0.00 41.12 41.88 1iob n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1iob s LYS 55 N -2.56 2.44 -0.17 0.11 1.02 -1.25 -3.77 119.74 115.56 1iob s LYS 55 Ca 0.02 -0.64 -0.00 0.00 0.02 0.00 0.00 55.97 55.37 1iob s LYS 55 Cb 0.10 -2.03 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1iob s LYS 55 CO 0.59 -0.04 -0.07 0.42 -0.92 0.00 0.00 175.35 175.33 1iob s ILE 56 N 0.92 1.30 0.15 2.17 -1.09 -0.73 -0.09 121.20 123.83 1iob s ILE 56 Ca -0.07 -0.73 -0.31 0.00 -2.23 0.00 0.00 60.65 57.31 1iob s ILE 56 Cb -0.15 -1.42 -0.09 0.00 -1.58 0.00 0.00 42.46 39.22 1iob s ILE 56 CO -0.01 0.17 1.42 -2.16 -1.23 0.00 0.00 174.94 173.14 1iob s PRO 57 N 1.55 4.30 0.12 2.79 0.04 -1.26 -0.51 135.00 142.03 1iob s PRO 57 Ca 0.01 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1iob s PRO 57 Cb -0.15 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1iob s PRO 57 CO -0.08 -0.45 0.00 0.14 0.04 0.00 0.00 177.00 176.65 1iob s VAL 58 N 0.88 0.39 0.08 -0.36 -7.23 0.69 -2.92 120.40 111.92 1iob s VAL 58 Ca 0.64 -1.91 0.07 0.00 -1.81 0.00 0.00 61.98 58.97 1iob s VAL 58 Cb -0.39 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1iob s VAL 58 CO 0.33 -0.65 -0.15 0.00 -0.31 0.00 0.00 175.10 174.32 1iob s ALA 59 N -3.84 2.75 -0.24 1.32 0.00 -0.40 -0.55 121.76 120.79 1iob s ALA 59 Ca 0.19 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1iob s ALA 59 Cb 0.07 -0.78 0.06 0.00 0.00 0.00 0.00 23.12 22.46 1iob s ALA 59 CO -0.01 0.60 -0.08 -0.51 0.00 0.00 0.00 175.76 175.76 1iob s LEU 60 N -1.83 2.91 0.31 0.00 1.43 -1.26 -1.58 118.68 118.65 1iob s LEU 60 Ca 0.17 -1.26 0.10 0.00 -1.03 0.00 0.00 54.13 52.12 1iob s LEU 60 Cb -0.11 -1.32 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 1iob s LEU 60 CO 0.09 -0.22 -0.09 -0.83 0.23 0.00 0.00 176.35 175.53 1iob s GLY 61 N 1.28 1.96 0.30 -3.19 0.00 -0.92 -0.99 107.32 105.75 1iob s GLY 61 Ca -0.07 -1.90 -0.26 0.00 0.00 0.00 0.00 44.72 42.48 1iob s GLY 61 CO -0.06 -1.92 0.92 1.08 0.00 0.00 0.00 173.10 173.12 1iob s LEU 62 N -3.61 4.40 0.00 0.66 1.43 -0.52 -0.52 118.68 120.52 1iob s LEU 62 Ca 0.32 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1iob s LEU 62 Cb -0.03 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1iob s LEU 62 CO 0.17 -0.01 0.53 1.17 0.23 0.00 0.00 176.35 178.44 1iob n LYS 63 N 0.76 0.00 -1.10 1.70 0.00 0.59 -2.99 118.16 117.12 1iob n LYS 63 Ca 0.01 0.53 -0.11 0.00 0.00 0.00 0.00 58.31 58.74 1iob n LYS 63 Cb 0.50 -0.88 0.15 0.00 0.00 0.00 0.00 35.03 34.79 1iob n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1iob n GLU 64 N -1.76 2.26 -4.31 1.64 1.02 -1.26 -4.79 120.64 113.43 1iob n GLU 64 Ca 0.00 -3.42 -0.25 0.00 -0.02 0.00 0.00 57.16 53.47 1iob n GLU 64 Cb 0.00 -1.94 -0.12 0.00 -0.02 0.00 0.00 31.44 29.35 1iob n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1iob s LYS 65 N -3.38 1.19 -1.21 3.49 1.02 -1.16 -5.03 119.74 114.66 1iob s LYS 65 Ca 0.47 -1.22 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 1iob s LYS 65 Cb 0.42 -1.49 0.04 0.00 -0.52 0.00 0.00 37.83 36.28 1iob s LYS 65 CO -0.00 0.34 2.64 0.27 -0.92 0.00 0.00 175.35 177.69 1iob n ASN 66 N 0.98 7.86 -4.15 2.83 6.94 -1.26 -4.39 115.26 124.07 1iob n ASN 66 Ca -0.19 -2.98 -0.29 0.00 -0.02 0.00 0.00 54.58 51.10 1iob n ASN 66 Cb 0.54 -1.39 -0.17 0.00 -2.36 0.00 0.00 39.78 36.40 1iob n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1iob s LEU 67 N -1.48 1.93 0.05 -4.53 1.43 -1.26 -1.61 118.68 113.20 1iob s LEU 67 Ca 0.59 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 1iob s LEU 67 Cb 0.22 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 1iob s LEU 67 CO -0.10 0.12 -0.18 -0.31 0.23 0.00 0.00 176.35 176.12 1iob s TYR 68 N 0.41 1.54 0.02 0.29 1.51 0.24 -1.43 117.35 119.92 1iob s TYR 68 Ca -0.16 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 1iob s TYR 68 Cb -0.17 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1iob s TYR 68 CO 0.07 0.08 1.15 -0.51 -1.11 0.00 0.00 175.55 175.22 1iob s LEU 69 N -1.26 4.35 0.05 -1.29 1.02 -0.16 0.04 118.68 121.43 1iob s LEU 69 Ca 0.04 1.89 0.00 0.00 0.02 0.00 0.00 54.13 56.08 1iob s LEU 69 Cb -0.09 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.52 1iob s LEU 69 CO 0.02 -0.45 -0.04 -0.94 0.02 0.00 0.00 176.35 174.95 1iob s SER 70 N 1.15 0.60 -0.20 2.29 1.04 0.89 -4.45 113.70 115.03 1iob s SER 70 Ca 0.56 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 56.18 1iob s SER 70 Cb -0.26 0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1iob s SER 70 CO 0.27 -0.44 -0.12 0.00 0.98 0.00 0.00 173.24 173.93 1iob s VAL 72 N 1.33 0.33 -0.03 0.00 -7.23 -0.68 -4.68 120.40 109.45 1iob s VAL 72 Ca 0.04 -1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 58.02 1iob s VAL 72 Cb -0.14 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1iob s VAL 72 CO -0.07 -0.49 0.81 -0.76 -0.31 0.00 0.00 175.10 174.28 1iob s LEU 73 N -3.09 4.36 -0.33 1.32 1.43 -1.26 -0.64 118.68 120.46 1iob s LEU 73 Ca 0.23 1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 54.72 1iob s LEU 73 Cb 0.07 -3.28 0.11 0.00 0.03 0.00 0.00 46.19 43.12 1iob s LEU 73 CO 0.02 -0.15 0.15 -0.54 0.23 0.00 0.00 176.35 176.06 1iob s LYS 74 N 0.75 0.60 0.00 1.70 3.01 -0.51 -4.75 119.74 120.54 1iob s LYS 74 Ca 0.43 -1.08 0.00 0.00 -1.01 0.00 0.00 55.97 54.31 1iob s LYS 74 Cb -0.19 -1.66 0.00 0.00 -1.01 0.00 0.00 37.83 34.96 1iob s LYS 74 CO 0.22 -1.06 0.00 -0.25 0.51 0.00 0.00 175.35 174.77 1iob n ASP 75 N 4.65 -1.08 0.00 2.83 8.00 -1.26 -3.48 116.55 126.21 1iob n ASP 75 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1iob n ASP 75 Cb 0.40 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1iob n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1iob n ASP 76 N 1.26 0.00 -4.52 -2.24 8.00 -1.26 -4.96 116.55 112.83 1iob n ASP 76 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 1iob n ASP 76 Cb 0.36 -1.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.34 1iob n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1iob s LYS 77 N -0.39 3.52 0.03 -1.24 2.36 -1.23 -5.03 119.74 117.76 1iob s LYS 77 Ca 0.00 -0.52 -0.33 0.00 -2.55 0.00 0.00 55.97 52.57 1iob s LYS 77 Cb 0.00 -2.86 -0.12 0.00 -1.05 0.00 0.00 37.83 33.79 1iob s LYS 77 CO 0.00 0.32 1.78 -2.30 1.55 0.00 0.00 175.35 176.70 1iob n PRO 78 N 3.28 2.28 -4.19 4.03 -0.02 -1.26 -1.42 135.00 137.69 1iob n PRO 78 Ca -0.18 0.83 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 1iob n PRO 78 Cb 0.53 -2.66 -0.13 0.00 -0.02 0.00 0.00 33.50 31.21 1iob n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1iob s THR 79 N 2.84 0.61 -0.12 3.45 2.01 0.18 -4.73 115.64 119.89 1iob s THR 79 Ca 0.86 -0.64 -0.19 0.00 0.31 0.00 0.00 61.69 62.03 1iob s THR 79 Cb -0.65 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1iob s THR 79 CO 0.45 -0.04 0.52 -0.22 -0.69 0.00 0.00 174.62 174.63 1iob s LEU 80 N -0.76 4.27 0.07 4.42 2.96 -1.26 -1.68 118.68 126.69 1iob s LEU 80 Ca -0.02 0.86 0.02 0.00 -0.22 0.00 0.00 54.13 54.78 1iob s LEU 80 Cb -0.06 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 1iob s LEU 80 CO 0.00 -0.04 -0.07 0.00 -1.32 0.00 0.00 176.35 174.92 1iob s GLN 81 N 0.79 0.67 -0.20 1.98 -2.07 0.15 -4.87 119.66 116.11 1iob s GLN 81 Ca 0.28 -1.05 -0.20 0.00 -1.82 0.00 0.00 55.36 52.57 1iob s GLN 81 Cb -0.16 -0.23 -0.03 0.00 -1.09 0.00 0.00 33.01 31.51 1iob s GLN 81 CO 0.11 0.01 0.60 -0.51 -1.32 0.00 0.00 175.29 174.18 1iob s LEU 82 N -2.32 4.14 -0.15 2.60 1.43 -1.26 -0.08 118.68 123.05 1iob s LEU 82 Ca 0.01 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1iob s LEU 82 Cb -0.02 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.36 1iob s LEU 82 CO -0.02 -0.25 -0.15 -0.70 0.23 0.00 0.00 176.35 175.45 1iob s GLU 83 N 1.88 3.24 0.33 1.70 2.12 0.11 -4.89 118.70 123.18 1iob s GLU 83 Ca 0.27 -0.74 -0.26 0.00 0.36 0.00 0.00 54.97 54.60 1iob s GLU 83 Cb -0.16 -2.62 -0.10 0.00 0.26 0.00 0.00 34.13 31.52 1iob s GLU 83 CO 0.10 0.05 0.95 -1.54 -0.54 0.00 0.00 175.26 174.28 1iob s SER 84 N 0.73 7.29 0.24 -1.70 1.04 -1.26 -0.59 113.70 119.45 1iob s SER 84 Ca -0.07 1.85 0.02 0.00 0.48 0.00 0.00 55.95 58.23 1iob s SER 84 Cb -0.16 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.34 1iob s SER 84 CO 0.01 -0.10 0.06 0.68 0.98 0.00 0.00 173.24 174.87 1iob s VAL 85 N -1.64 0.67 -0.03 5.02 -7.23 -0.63 -4.95 120.40 111.61 1iob s VAL 85 Ca 0.51 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1iob s VAL 85 Cb -0.19 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.17 1iob s VAL 85 CO 0.24 -0.14 2.03 -0.67 -0.31 0.00 0.00 175.10 176.24 1iob n ASP 86 N -0.42 3.90 0.00 4.85 2.03 -1.26 -4.83 116.55 120.82 1iob n ASP 86 Ca -0.02 0.75 0.07 0.00 0.52 0.00 0.00 54.79 56.10 1iob n ASP 86 Cb 0.65 -1.52 0.32 0.00 -0.72 0.00 0.00 41.12 39.86 1iob n ASP 86 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1iob n PRO 87 N 7.76 0.09 0.01 -0.67 -0.04 -1.26 -2.16 135.00 138.72 1iob n PRO 87 Ca 0.23 0.21 -0.17 0.00 -0.04 0.00 0.00 63.50 63.73 1iob n PRO 87 Cb 0.41 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1iob n PRO 87 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1iob h LYS 88 N 0.00 0.19 -0.01 0.54 1.57 -2.03 -3.38 116.57 113.44 1iob h LYS 88 Ca 0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1iob h LYS 88 Cb 0.19 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1iob h LYS 88 CO 0.00 0.98 -0.10 0.09 -0.57 0.00 0.00 179.45 179.86 1iob n ASN 89 N -3.35 1.36 -4.30 0.86 4.13 -0.92 -4.92 115.26 108.13 1iob n ASN 89 Ca -0.25 -1.29 -0.23 0.00 1.68 0.00 0.00 54.58 54.49 1iob n ASN 89 Cb 1.05 0.05 -0.12 0.00 -1.54 0.00 0.00 39.78 39.22 1iob n ASN 89 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1iob s TYR 90 N -2.18 1.76 0.72 3.10 1.51 -1.18 -4.36 117.35 116.71 1iob s TYR 90 Ca 0.33 -0.45 -0.08 0.00 -1.01 0.00 0.00 57.07 55.86 1iob s TYR 90 Cb 0.20 -0.93 0.06 0.00 -0.11 0.00 0.00 41.96 41.18 1iob s TYR 90 CO 0.40 0.24 1.05 -1.25 -1.11 0.00 0.00 175.55 174.89 1iob s PRO 91 N -2.26 2.28 0.16 -1.71 0.04 -1.26 -4.93 135.00 127.31 1iob s PRO 91 Ca 0.10 -0.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.07 1iob s PRO 91 Cb -0.08 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1iob s PRO 91 CO 0.05 -1.26 0.07 -1.59 0.04 0.00 0.00 177.00 174.32 1iob s LYS 92 N -5.32 1.04 0.11 4.56 -2.85 -1.26 -4.37 119.74 111.65 1iob s LYS 92 Ca 0.60 -1.52 0.03 0.00 -1.00 0.00 0.00 55.97 54.08 1iob s LYS 92 Cb -0.11 0.19 -0.23 0.00 -2.06 0.00 0.00 37.83 35.62 1iob s LYS 92 CO 0.47 -0.29 1.23 -0.22 0.10 0.00 0.00 175.35 176.64 1iob h LYS 93 N 2.76 0.10 -3.30 1.78 3.64 -1.90 -3.35 116.57 116.30 1iob h LYS 93 Ca -0.36 -0.18 -0.74 0.00 -1.27 0.00 0.00 60.65 58.11 1iob h LYS 93 Cb 1.22 0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 32.78 1iob h LYS 93 CO 0.58 1.08 0.16 1.17 -2.27 0.00 0.00 179.45 180.17 1iob n LYS 94 N -3.43 3.13 -1.29 1.90 4.81 -1.26 0.37 118.16 122.39 1iob n LYS 94 Ca -0.03 -4.49 -0.30 0.00 -0.87 0.00 0.00 58.31 52.62 1iob n LYS 94 Cb 0.97 -2.46 0.13 0.00 0.02 0.00 0.00 35.03 33.68 1iob n LYS 94 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1iob s MET 95 N -1.56 1.44 0.39 1.64 -1.94 -1.26 -5.02 119.30 113.00 1iob s MET 95 Ca 0.30 0.76 -0.24 0.00 -1.71 0.00 0.00 55.69 54.81 1iob s MET 95 Cb -0.06 -1.83 -0.10 0.00 2.01 0.00 0.00 34.83 34.85 1iob s MET 95 CO -0.08 -2.10 0.99 -1.21 -0.01 0.00 0.00 175.02 172.61 1iob s GLU 96 N -4.99 4.27 0.36 2.03 8.01 -1.26 -4.92 118.70 122.20 1iob s GLU 96 Ca 0.63 1.34 0.18 0.00 0.01 0.00 0.00 54.97 57.13 1iob s GLU 96 Cb -0.17 -2.49 1.18 0.00 -4.31 0.00 0.00 34.13 28.35 1iob s GLU 96 CO 0.56 -0.01 1.65 0.87 0.01 0.00 0.00 175.26 178.33 1iob h LYS 97 N 2.47 0.23 -0.90 1.61 1.79 -1.95 -0.86 116.57 118.95 1iob h LYS 97 Ca -0.48 -0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.16 1iob h LYS 97 Cb 1.20 -0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 31.69 1iob h LYS 97 CO 0.62 0.15 0.46 -0.09 -1.08 0.00 0.00 179.45 179.51 1iob h ARG 98 N 0.23 0.55 -0.00 3.15 2.43 -1.91 -2.14 114.38 116.69 1iob h ARG 98 Ca 0.76 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.90 1iob h ARG 98 Cb 1.89 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 1iob h ARG 98 CO -0.61 0.37 -0.09 1.19 -1.51 0.00 0.00 179.97 179.31 1iob n PHE 99 N -4.91 0.00 -3.62 2.20 3.72 -0.33 -1.31 117.46 113.21 1iob n PHE 99 Ca 0.20 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.24 1iob n PHE 99 Cb 0.55 -0.27 -0.07 0.00 -0.94 0.00 0.00 39.48 38.75 1iob n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1iob s VAL 100 N -2.64 5.32 0.07 -4.37 1.01 -0.80 -4.27 120.40 114.72 1iob s VAL 100 Ca 0.25 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1iob s VAL 100 Cb 0.20 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1iob s VAL 100 CO 0.50 0.46 -0.23 -0.36 0.00 0.00 0.00 175.10 175.47 1iob s PHE 101 N 0.00 2.00 -0.25 5.22 0.40 0.29 -1.47 117.98 124.17 1iob s PHE 101 Ca 0.16 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.92 1iob s PHE 101 Cb -0.13 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 1iob s PHE 101 CO 0.04 0.15 0.47 -0.80 0.70 0.00 0.00 175.22 175.78 1iob s ASN 102 N -1.43 6.42 -0.20 1.36 0.02 0.16 -0.22 114.94 121.05 1iob s ASN 102 Ca 0.09 0.50 -0.23 0.00 -1.02 0.00 0.00 52.86 52.20 1iob s ASN 102 Cb -0.09 -2.26 -0.02 0.00 0.02 0.00 0.00 41.25 38.90 1iob s ASN 102 CO 0.03 -0.22 0.76 -0.75 0.02 0.00 0.00 177.10 176.93 1iob s LYS 103 N 2.03 4.23 -0.10 -0.60 2.20 0.33 -1.17 119.74 126.67 1iob s LYS 103 Ca 0.20 0.85 0.04 0.00 -0.36 0.00 0.00 55.97 56.70 1iob s LYS 103 Cb -0.15 -3.59 -0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1iob s LYS 103 CO 0.09 -0.35 -0.23 0.42 -0.36 0.00 0.00 175.35 174.92 1iob s ILE 104 N 2.24 2.12 -0.39 5.43 1.01 -0.13 -1.77 121.20 129.73 1iob s ILE 104 Ca 0.34 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 1iob s ILE 104 Cb -0.16 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1iob s ILE 104 CO 0.10 0.56 0.50 -1.61 0.00 0.00 0.00 174.94 174.49 1iob s GLU 105 N 0.27 3.40 -0.25 2.79 8.01 -1.25 -0.94 118.70 130.73 1iob s GLU 105 Ca -0.16 -0.41 0.01 0.00 0.01 0.00 0.00 54.97 54.42 1iob s GLU 105 Cb -0.17 -3.88 0.06 0.00 -4.31 0.00 0.00 34.13 25.83 1iob s GLU 105 CO 0.08 -0.76 -0.05 0.42 0.01 0.00 0.00 175.26 174.97 1iob s ILE 106 N 2.35 1.66 -0.99 -1.63 -1.09 0.78 -4.82 121.20 117.45 1iob s ILE 106 Ca 0.17 -1.38 -0.09 0.00 -2.23 0.00 0.00 60.65 57.11 1iob s ILE 106 Cb -0.16 -1.93 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 1iob s ILE 106 CO 0.14 -0.16 0.80 0.59 -1.23 0.00 0.00 174.94 175.09 1iob n ASN 107 N 4.61 -6.33 -1.01 3.58 3.02 -1.26 -1.29 115.26 116.59 1iob n ASN 107 Ca -0.11 -0.69 -0.10 0.00 -0.03 0.00 0.00 54.58 53.66 1iob n ASN 107 Cb 0.43 -4.30 -0.04 0.00 -0.61 0.00 0.00 39.78 35.26 1iob n ASN 107 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1iob n ASN 108 N -2.64 -3.60 -4.52 6.41 0.23 -1.26 -4.90 115.26 104.99 1iob n ASN 108 Ca -0.08 0.24 -0.25 0.00 -0.53 0.00 0.00 54.58 53.96 1iob n ASN 108 Cb 0.59 -3.05 -0.10 0.00 -2.08 0.00 0.00 39.78 35.14 1iob n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1iob s LYS 109 N -2.62 1.83 0.14 -3.83 -0.14 -0.41 -4.88 119.74 109.83 1iob s LYS 109 Ca 0.00 -2.04 0.10 0.00 -1.36 0.00 0.00 55.97 52.67 1iob s LYS 109 Cb 0.00 -1.20 -0.04 0.00 -1.68 0.00 0.00 37.83 34.91 1iob s LYS 109 CO 0.00 -0.16 -0.23 -0.51 -0.76 0.00 0.00 175.35 173.68 1iob s LEU 110 N -3.61 2.35 0.02 3.17 1.43 0.13 -0.16 118.68 122.02 1iob s LEU 110 Ca 0.33 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1iob s LEU 110 Cb 0.08 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 1iob s LEU 110 CO 0.16 0.10 -0.13 -1.61 0.23 0.00 0.00 176.35 175.10 1iob s GLU 111 N -2.23 0.90 -0.33 1.70 2.02 -0.12 -0.06 118.70 120.60 1iob s GLU 111 Ca 0.13 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.52 1iob s GLU 111 Cb -0.09 -0.88 0.09 0.00 0.10 0.00 0.00 34.13 33.34 1iob s GLU 111 CO 0.06 0.23 0.03 -0.06 0.02 0.00 0.00 175.26 175.54 1iob s PHE 112 N -0.65 3.56 0.02 1.61 0.08 -1.26 -0.95 117.98 120.38 1iob s PHE 112 Ca 0.02 -2.62 -0.17 0.00 0.12 0.00 0.00 56.93 54.28 1iob s PHE 112 Cb -0.07 -2.64 -0.06 0.00 -0.57 0.00 0.00 43.02 39.68 1iob s PHE 112 CO 0.01 -0.92 0.49 -2.00 -0.10 0.00 0.00 175.22 172.69 1iob s GLU 113 N 1.03 4.09 0.04 0.44 2.12 -0.32 -2.06 118.70 124.04 1iob s GLU 113 Ca 0.04 0.56 -0.31 0.00 0.36 0.00 0.00 54.97 55.63 1iob s GLU 113 Cb -0.20 -3.25 -0.07 0.00 0.26 0.00 0.00 34.13 30.87 1iob s GLU 113 CO -0.06 0.61 1.49 0.45 -0.54 0.00 0.00 175.26 177.21 1iob s SER 114 N -0.91 6.75 0.43 -1.70 0.15 0.12 0.41 113.70 118.96 1iob s SER 114 Ca 0.26 2.28 0.22 0.00 0.70 0.00 0.00 55.95 59.42 1iob s SER 114 Cb -0.18 -2.57 0.95 0.00 -1.71 0.00 0.00 66.02 62.52 1iob s SER 114 CO 0.16 -0.77 1.85 0.00 1.20 0.00 0.00 173.24 175.67 1iob h ALA 115 N 7.85 1.09 0.01 5.45 0.00 -1.51 -3.25 119.26 128.90 1iob h ALA 115 Ca -0.40 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1iob h ALA 115 Cb 1.19 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1iob h ALA 115 CO 0.91 0.32 -0.41 0.37 0.00 0.00 0.00 179.25 180.44 1iob h GLN 116 N 0.00 0.26 -4.23 0.00 5.75 -1.76 -3.40 115.11 111.72 1iob h GLN 116 Ca -0.00 -0.29 -0.68 0.00 -0.15 0.00 0.00 58.65 57.52 1iob h GLN 116 Cb 0.70 0.09 -0.36 0.00 1.07 0.00 0.00 27.48 28.97 1iob h GLN 116 CO 0.03 1.02 -0.55 -0.06 -2.65 0.00 0.00 178.83 176.62 1iob s PHE 117 N -3.03 3.55 0.33 3.99 0.08 -1.23 -5.08 117.98 116.59 1iob s PHE 117 Ca -0.15 -2.66 -0.29 0.00 0.12 0.00 0.00 56.93 53.95 1iob s PHE 117 Cb 0.02 -3.13 -0.12 0.00 -0.57 0.00 0.00 43.02 39.22 1iob s PHE 117 CO 0.77 -0.92 1.52 -2.30 -0.10 0.00 0.00 175.22 174.20 1iob n PRO 118 N 4.16 2.63 -1.03 0.24 -0.02 -1.24 -2.24 135.00 137.49 1iob n PRO 118 Ca 0.02 0.93 -0.01 0.00 -2.02 0.00 0.00 63.50 62.42 1iob n PRO 118 Cb 0.40 -2.67 -0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1iob n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1iob n ASN 119 N 1.36 -3.17 -4.44 2.55 3.02 -1.26 -5.02 115.26 108.31 1iob n ASN 119 Ca 0.05 0.02 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 1iob n ASN 119 Cb 0.37 -0.76 -0.13 0.00 -0.61 0.00 0.00 39.78 38.65 1iob n ASN 119 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1iob s TRP 120 N -2.02 2.87 0.14 3.10 0.52 -0.95 -4.48 118.94 118.12 1iob s TRP 120 Ca 0.00 -0.44 0.09 0.00 0.02 0.00 0.00 56.10 55.76 1iob s TRP 120 Cb 0.00 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 1iob s TRP 120 CO 0.00 -0.08 -0.20 0.71 0.02 0.00 0.00 176.95 177.40 1iob s TYR 121 N 0.16 1.85 0.19 -1.98 1.51 0.93 0.14 117.35 120.14 1iob s TYR 121 Ca -0.05 -0.44 -0.31 0.00 -1.01 0.00 0.00 57.07 55.26 1iob s TYR 121 Cb -0.15 -0.96 -0.10 0.00 -0.11 0.00 0.00 41.96 40.65 1iob s TYR 121 CO 0.04 0.29 1.46 0.42 -1.11 0.00 0.00 175.55 176.66 1iob s ILE 122 N -1.65 2.80 0.07 2.71 1.01 -0.87 -0.27 121.20 125.00 1iob s ILE 122 Ca 0.12 0.62 0.03 0.00 0.00 0.00 0.00 60.65 61.42 1iob s ILE 122 Cb -0.08 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1iob s ILE 122 CO 0.06 0.07 -0.09 -0.44 0.00 0.00 0.00 174.94 174.54 1iob s SER 123 N 0.76 1.16 0.29 3.58 0.01 0.36 -4.52 113.70 115.34 1iob s SER 123 Ca 0.64 -0.74 0.06 0.00 1.31 0.00 0.00 55.95 57.21 1iob s SER 123 Cb -0.41 0.04 -0.06 0.00 0.21 0.00 0.00 66.02 65.80 1iob s SER 123 CO 0.36 -0.28 -0.03 0.42 0.41 0.00 0.00 173.24 174.13 1iob s THR 124 N -2.23 1.52 0.14 1.44 -4.23 -0.14 -0.69 115.64 111.45 1iob s THR 124 Ca 0.00 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 1iob s THR 124 Cb -0.04 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1iob s THR 124 CO -0.01 -0.24 0.29 -0.55 -0.54 0.00 0.00 174.62 173.57 1iob s SER 125 N -3.45 6.36 0.27 3.99 0.15 -1.26 -1.01 113.70 118.75 1iob s SER 125 Ca 0.31 0.24 -0.01 0.00 0.70 0.00 0.00 55.95 57.19 1iob s SER 125 Cb 0.05 -1.94 0.45 0.00 -1.71 0.00 0.00 66.02 62.87 1iob s SER 125 CO 0.12 0.06 1.88 -0.61 1.20 0.00 0.00 173.24 175.89 1iob h GLN 126 N 2.31 1.10 -7.19 5.44 5.75 -1.97 -3.42 115.11 117.12 1iob h GLN 126 Ca -0.48 -0.07 -0.48 0.00 -0.15 0.00 0.00 58.65 57.47 1iob h GLN 126 Cb 1.19 -0.25 0.05 0.00 1.07 0.00 0.00 27.48 29.53 1iob h GLN 126 CO 0.70 0.73 0.38 0.00 -2.65 0.00 0.00 178.83 177.98 1iob s ALA 127 N -6.01 2.86 0.44 3.38 0.00 -1.26 -5.05 121.76 116.13 1iob s ALA 127 Ca -0.12 0.33 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 1iob s ALA 127 Cb 0.20 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1iob s ALA 127 CO 0.81 -0.59 0.76 -1.21 0.00 0.00 0.00 175.76 175.53 1iob s GLU 128 N -4.05 3.61 -1.83 0.00 2.02 -1.26 -4.14 118.70 113.06 1iob s GLU 128 Ca 0.62 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.86 1iob s GLU 128 Cb -0.14 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1iob s GLU 128 CO 0.34 -0.11 0.00 -1.71 0.02 0.00 0.00 175.26 173.80 1iob n ASN 129 N -1.87 -5.46 -4.91 -0.19 2.85 -0.22 -4.97 115.26 100.49 1iob n ASN 129 Ca 0.01 0.20 -0.33 0.00 -0.11 0.00 0.00 54.58 54.35 1iob n ASN 129 Cb 0.55 -4.57 -0.05 0.00 1.24 0.00 0.00 39.78 36.95 1iob n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1iob s MET 130 N -4.39 3.47 0.48 1.20 -1.94 -1.25 -4.89 119.30 111.99 1iob s MET 130 Ca 0.00 -0.31 -0.21 0.00 -1.71 0.00 0.00 55.69 53.46 1iob s MET 130 Cb 0.00 -3.05 -0.08 0.00 2.01 0.00 0.00 34.83 33.71 1iob s MET 130 CO 0.00 0.63 1.08 -1.25 -0.01 0.00 0.00 175.02 175.47 1iob s PRO 131 N -2.17 3.74 0.30 2.03 0.04 -1.26 -2.24 135.00 135.45 1iob s PRO 131 Ca 0.31 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1iob s PRO 131 Cb -0.13 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1iob s PRO 131 CO 0.22 -0.51 1.20 0.08 0.04 0.00 0.00 177.00 178.03 1iob s VAL 132 N -1.82 3.11 0.25 -0.36 1.01 -0.62 -4.68 120.40 117.29 1iob s VAL 132 Ca 0.67 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.73 1iob s VAL 132 Cb -0.21 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1iob s VAL 132 CO 0.25 0.27 0.29 0.72 0.00 0.00 0.00 175.10 176.62 1iob s PHE 133 N -1.14 1.02 -0.21 5.22 -0.71 0.14 -4.86 117.98 117.44 1iob s PHE 133 Ca 0.47 -1.24 -0.17 0.00 -1.04 0.00 0.00 56.93 54.95 1iob s PHE 133 Cb -0.36 -0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 1iob s PHE 133 CO 0.47 -0.84 0.43 -1.17 -1.34 0.00 0.00 175.22 172.77 1iob s LEU 134 N -3.16 4.14 0.00 -1.99 2.96 -1.26 0.14 118.68 119.50 1iob s LEU 134 Ca 0.34 0.54 0.06 0.00 -0.22 0.00 0.00 54.13 54.84 1iob s LEU 134 Cb 0.03 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 1iob s LEU 134 CO 0.15 -0.12 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.04 1iob s GLY 135 N 1.15 0.95 -0.48 7.98 0.00 0.63 -4.86 107.32 112.69 1iob s GLY 135 Ca 0.20 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 44.09 1iob s GLY 135 CO 0.09 -0.75 1.76 0.61 0.00 0.00 0.00 173.10 174.80 1iob n GLY 136 N 2.37 5.41 2.55 0.20 0.00 -1.26 -0.05 105.19 114.41 1iob n GLY 136 Ca -0.16 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1iob n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iob s THR 137 N -4.08 0.02 0.45 2.61 2.01 -1.26 -4.95 115.64 110.45 1iob s THR 137 Ca 0.57 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 1iob s THR 137 Cb 0.47 -1.05 -0.08 0.00 0.01 0.00 0.00 72.50 71.85 1iob s THR 137 CO 0.03 -0.74 0.89 -0.54 -0.69 0.00 0.00 174.62 173.57 1iob s LYS 138 N 2.01 3.92 7.04 4.92 1.02 -1.26 -4.60 119.74 132.79 1iob s LYS 138 Ca 0.10 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.86 1iob s LYS 138 Cb -0.16 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1iob s LYS 138 CO -0.34 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 1iob n GLY 139 N -1.29 1.94 7.00 -3.33 0.00 -1.26 -4.98 105.19 103.27 1iob n GLY 139 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1iob n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iob n GLY 140 N 0.00 0.80 0.00 -0.02 0.00 -1.26 -3.96 105.19 100.75 1iob n GLY 140 Ca 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.39 1iob n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1iob n GLN 141 N 0.00 1.09 -3.17 1.61 -0.06 -1.26 -4.94 117.38 110.66 1iob n GLN 141 Ca 0.00 -0.06 -0.36 0.00 -2.00 0.00 0.00 57.00 54.57 1iob n GLN 141 Cb 0.00 -1.34 -0.06 0.00 -4.06 0.00 0.00 30.24 24.78 1iob n GLN 141 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1iob s ASP 142 N -3.15 7.03 -0.13 1.69 1.01 -1.25 -4.45 116.67 117.41 1iob s ASP 142 Ca 0.01 1.34 -0.22 0.00 0.71 0.00 0.00 52.55 54.40 1iob s ASP 142 Cb 0.12 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 1iob s ASP 142 CO 0.70 0.08 0.65 -0.63 0.21 0.00 0.00 175.17 176.18 1iob s ILE 143 N -1.45 5.05 0.00 0.77 1.01 -0.18 -4.64 121.20 121.76 1iob s ILE 143 Ca 0.40 1.29 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1iob s ILE 143 Cb -0.17 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1iob s ILE 143 CO 0.21 0.20 0.58 0.35 0.00 0.00 0.00 174.94 176.27 1iob n THR 144 N 4.14 0.29 -4.67 2.92 -2.24 -1.26 -0.97 114.28 112.49 1iob n THR 144 Ca -0.02 -0.54 -0.33 0.00 -2.27 0.00 0.00 64.05 60.90 1iob n THR 144 Cb 0.51 0.99 -0.12 0.00 -2.10 0.00 0.00 70.33 69.61 1iob n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1iob s ASP 145 N -0.29 4.32 0.25 3.42 -4.77 -1.26 -4.41 116.67 113.93 1iob s ASP 145 Ca 0.00 -0.17 0.02 0.00 -3.30 0.00 0.00 52.55 49.10 1iob s ASP 145 Cb 0.00 -0.96 -0.05 0.00 -1.09 0.00 0.00 42.92 40.82 1iob s ASP 145 CO 0.00 0.32 0.06 -0.36 0.70 0.00 0.00 175.17 175.89 1iob s PHE 146 N -0.86 1.56 0.09 2.11 0.40 0.92 -1.42 117.98 120.77 1iob s PHE 146 Ca 0.14 -1.08 0.08 0.00 -0.60 0.00 0.00 56.93 55.47 1iob s PHE 146 Cb -0.11 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.46 1iob s PHE 146 CO 0.04 -0.21 -0.22 0.95 0.70 0.00 0.00 175.22 176.47 1iob s THR 147 N -3.61 1.79 -0.03 0.64 -4.23 -0.22 0.22 115.64 110.20 1iob s THR 147 Ca 0.34 -1.49 0.07 0.00 -1.18 0.00 0.00 61.69 59.42 1iob s THR 147 Cb 0.07 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 1iob s THR 147 CO 0.12 0.03 -0.24 -0.32 -0.54 0.00 0.00 174.62 173.67 1iob s MET 148 N -1.75 2.11 -0.13 3.99 0.00 -1.26 -1.68 119.30 120.58 1iob s MET 148 Ca 0.08 -0.86 0.01 0.00 0.00 0.00 0.00 55.69 54.91 1iob s MET 148 Cb -0.10 -1.95 -0.01 0.00 0.00 0.00 0.00 34.83 32.77 1iob s MET 148 CO 0.04 0.47 -0.15 -0.65 0.00 0.00 0.00 175.02 174.72 1iob s GLN 149 N -0.43 3.30 0.35 4.11 1.11 -0.67 -4.96 119.66 122.47 1iob s GLN 149 Ca 0.05 -0.73 -0.26 0.00 0.01 0.00 0.00 55.36 54.43 1iob s GLN 149 Cb -0.11 -2.57 -0.09 0.00 -1.01 0.00 0.00 33.01 29.23 1iob s GLN 149 CO 0.00 0.18 1.01 -0.06 0.01 0.00 0.00 175.29 176.43 1iob s PHE 150 N 0.41 3.50 0.00 0.91 0.40 -1.26 -1.31 117.98 120.63 1iob s PHE 150 Ca -0.12 1.71 0.00 0.00 -0.60 0.00 0.00 56.93 57.93 1iob s PHE 150 Cb -0.16 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.32 1iob s PHE 150 CO 0.06 -0.23 0.00 1.33 0.70 0.00 0.00 175.22 177.07 1iob n VAL 151 N 0.37 0.00 0.00 -0.44 0.24 -1.05 -4.89 118.33 112.56 1iob n VAL 151 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1iob n VAL 151 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1iob n VAL 151 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1iob n SER 152 N 0.00 0.00 0.00 -1.34 2.88 -1.26 -4.69 113.62 109.21 1iob n SER 152 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iob n SER 152 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1iob n SER 152 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61