#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibb s ASP 2 N 0.00 -0.00 0.05 1.08 1.11 -1.26 -3.81 116.67 113.84 1ibb s ASP 2 Ca 0.00 0.07 0.06 0.00 0.18 0.00 0.00 52.55 52.86 1ibb s ASP 2 Cb 0.00 0.02 -0.03 0.00 1.07 0.00 0.00 42.92 43.99 1ibb s ASP 2 CO 0.00 -0.06 -0.17 -0.76 1.18 0.00 0.00 175.17 175.36 1ibb s LEU 3 N 0.48 2.21 -0.11 1.23 1.43 -0.29 -4.97 118.68 118.66 1ibb s LEU 3 Ca -0.04 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1ibb s LEU 3 Cb -0.06 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 1ibb s LEU 3 CO -0.02 0.05 -0.16 0.42 0.23 0.00 0.00 176.35 176.87 1ibb s THR 4 N -0.95 2.75 -0.11 5.49 -4.23 -1.26 0.26 115.64 117.60 1ibb s THR 4 Ca 0.03 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1ibb s THR 4 Cb -0.09 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1ibb s THR 4 CO 0.02 0.54 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.80 1ibb s VAL 5 N 0.25 2.91 -0.07 2.29 1.01 0.10 -4.91 120.40 121.98 1ibb s VAL 5 Ca -0.11 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1ibb s VAL 5 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1ibb s VAL 5 CO 0.06 0.54 0.84 -0.54 0.00 0.00 0.00 175.10 176.00 1ibb s LYS 6 N 0.14 4.44 -0.09 2.72 1.02 -1.26 -1.22 119.74 125.49 1ibb s LYS 6 Ca -0.08 1.12 -0.02 0.00 0.02 0.00 0.00 55.97 57.02 1ibb s LYS 6 Cb -0.15 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1ibb s LYS 6 CO 0.05 -0.09 -0.02 -1.64 -0.92 0.00 0.00 175.35 172.73 1ibb s MET 7 N 1.28 3.05 0.03 1.68 -1.94 -0.65 -4.33 119.30 118.41 1ibb s MET 7 Ca 0.43 -0.46 0.05 0.00 -1.71 0.00 0.00 55.69 54.00 1ibb s MET 7 Cb -0.18 -2.77 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 1ibb s MET 7 CO 0.20 0.61 -0.15 0.99 -0.01 0.00 0.00 175.02 176.66 1ibb s THR 8 N -0.65 1.19 -0.09 2.05 2.01 -0.55 -1.86 115.64 117.73 1ibb s THR 8 Ca 0.10 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1ibb s THR 8 Cb -0.12 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 1ibb s THR 8 CO 0.02 0.12 1.19 -0.62 -0.69 0.00 0.00 174.62 174.64 1ibb s ASP 9 N -0.92 7.05 0.37 3.53 2.15 0.11 -1.56 116.67 127.40 1ibb s ASP 9 Ca 0.03 1.75 0.17 0.00 0.43 0.00 0.00 52.55 54.93 1ibb s ASP 9 Cb -0.07 -2.55 0.69 0.00 -0.30 0.00 0.00 42.92 40.68 1ibb s ASP 9 CO 0.01 -0.61 1.75 -0.07 -0.17 0.00 0.00 175.17 176.08 1ibb h LEU 10 N 8.53 0.00 0.04 -1.34 3.38 -1.27 0.36 115.31 125.00 1ibb h LEU 10 Ca -0.32 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1ibb h LEU 10 Cb 1.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.90 1ibb h LEU 10 CO 0.90 0.40 -0.29 -0.61 0.09 0.00 0.00 178.44 178.93 1ibb h GLN 11 N 0.00 0.13 0.00 1.13 5.75 -1.89 -3.37 115.11 116.86 1ibb h GLN 11 Ca -0.00 -0.19 -0.19 0.00 -0.15 0.00 0.00 58.65 58.12 1ibb h GLN 11 Cb 0.86 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.44 1ibb h GLN 11 CO 0.05 1.03 -1.55 0.25 -2.65 0.00 0.00 178.83 175.96 1ibb n THR 12 N -4.46 1.19 -0.82 2.39 -2.24 -1.24 -4.97 114.28 104.13 1ibb n THR 12 Ca -0.11 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1ibb n THR 12 Cb 0.57 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1ibb n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ibb n GLY 13 N 1.43 0.80 3.91 3.38 0.00 0.12 -5.03 105.19 109.80 1ibb n GLY 13 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1ibb n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibb s LYS 14 N -0.18 3.53 0.62 1.61 1.02 -1.24 -4.76 119.74 120.35 1ibb s LYS 14 Ca 0.00 -0.24 -0.17 0.00 0.02 0.00 0.00 55.97 55.57 1ibb s LYS 14 Cb 0.00 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 1ibb s LYS 14 CO 0.00 0.55 1.16 -1.25 -0.92 0.00 0.00 175.35 174.89 1ibb s PRO 15 N -2.50 2.88 0.00 -1.68 0.04 -1.26 -0.71 135.00 131.78 1ibb s PRO 15 Ca 0.37 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1ibb s PRO 15 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1ibb s PRO 15 CO 0.25 -1.23 0.36 1.33 0.04 0.00 0.00 177.00 177.75 1ibb n VAL 16 N -1.94 0.01 0.00 -0.36 0.24 -0.78 -4.80 118.33 110.71 1ibb n VAL 16 Ca 0.12 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1ibb n VAL 16 Cb 0.51 1.29 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 1ibb n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ibb n GLY 17 N -0.01 0.92 3.20 7.63 0.00 -1.25 0.13 105.19 115.82 1ibb n GLY 17 Ca 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1ibb n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ibb s THR 18 N -2.71 0.36 -0.06 2.61 -4.23 -0.94 -1.64 115.64 109.02 1ibb s THR 18 Ca 0.00 -1.95 -0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1ibb s THR 18 Cb 0.00 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.71 1ibb s THR 18 CO 0.00 -0.40 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.02 1ibb s ILE 19 N -3.88 0.48 -0.17 2.99 1.01 -0.36 -1.08 121.20 120.20 1ibb s ILE 19 Ca 0.26 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.75 1ibb s ILE 19 Cb 0.07 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 1ibb s ILE 19 CO 0.04 0.24 0.31 -0.70 0.00 0.00 0.00 174.94 174.83 1ibb s GLU 20 N 1.39 4.24 -0.15 2.79 2.12 -0.04 -0.72 118.70 128.33 1ibb s GLU 20 Ca -0.04 0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.36 1ibb s GLU 20 Cb -0.13 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1ibb s GLU 20 CO -0.03 0.18 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.32 1ibb s LEU 21 N 0.63 3.21 0.06 2.70 1.02 0.14 -0.38 118.68 126.06 1ibb s LEU 21 Ca 0.17 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.20 1ibb s LEU 21 Cb -0.13 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.28 1ibb s LEU 21 CO 0.05 0.17 -0.08 -0.94 0.02 0.00 0.00 176.35 175.57 1ibb s SER 22 N 0.33 1.00 -0.18 2.29 1.04 -0.77 -1.14 113.70 116.27 1ibb s SER 22 Ca -0.05 -0.68 -0.08 0.00 0.48 0.00 0.00 55.95 55.63 1ibb s SER 22 Cb -0.14 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1ibb s SER 22 CO 0.03 -0.26 0.08 -1.58 0.98 0.00 0.00 173.24 172.49 1ibb s GLN 23 N -2.19 3.99 0.26 4.02 2.00 -1.25 -0.66 119.66 125.83 1ibb s GLN 23 Ca -0.04 -0.30 0.02 0.00 -2.00 0.00 0.00 55.36 53.05 1ibb s GLN 23 Cb -0.06 -3.26 -0.04 0.00 0.80 0.00 0.00 33.01 30.45 1ibb s GLN 23 CO -0.01 0.32 0.18 0.54 -0.50 0.00 0.00 175.29 175.82 1ibb s ASN 24 N 0.27 0.90 0.55 6.67 2.20 -0.43 -4.99 114.94 120.11 1ibb s ASN 24 Ca 0.05 -1.53 0.29 0.00 -0.94 0.00 0.00 52.86 50.73 1ibb s ASN 24 Cb -0.12 0.42 1.45 0.00 -2.00 0.00 0.00 41.25 41.01 1ibb s ASN 24 CO -0.00 -0.91 1.93 0.50 -2.94 0.00 0.00 177.10 175.68 1ibb h LYS 25 N 2.39 0.00 -0.31 3.55 3.64 -2.03 -1.77 116.57 122.04 1ibb h LYS 25 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1ibb h LYS 25 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1ibb h LYS 25 CO 0.48 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.32 1ibb n TYR 26 N -4.20 0.39 0.00 1.91 4.02 -1.26 -5.08 117.16 112.94 1ibb n TYR 26 Ca 0.13 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1ibb n TYR 26 Cb 0.78 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 1ibb n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibb n GLY 27 N 1.37 0.83 3.74 2.72 0.00 -0.67 -4.09 105.19 109.09 1ibb n GLY 27 Ca 0.17 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 1ibb n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibb s VAL 28 N -1.88 5.15 -0.18 1.61 1.01 -0.90 -1.31 120.40 123.89 1ibb s VAL 28 Ca 0.00 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 1ibb s VAL 28 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1ibb s VAL 28 CO 0.00 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 174.83 1ibb s VAL 29 N 0.28 4.59 -0.33 2.92 1.01 0.16 -0.73 120.40 128.31 1ibb s VAL 29 Ca 0.25 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 1ibb s VAL 29 Cb -0.15 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1ibb s VAL 29 CO 0.11 0.47 0.13 -0.36 0.00 0.00 0.00 175.10 175.44 1ibb s PHE 30 N 0.37 3.20 -0.44 5.22 0.40 0.48 -1.85 117.98 125.37 1ibb s PHE 30 Ca 0.02 -1.00 -0.11 0.00 -0.60 0.00 0.00 56.93 55.24 1ibb s PHE 30 Cb -0.13 -2.32 0.08 0.00 0.51 0.00 0.00 43.02 41.16 1ibb s PHE 30 CO 0.01 -0.61 0.30 0.42 0.70 0.00 0.00 175.22 176.04 1ibb s ILE 31 N 1.51 4.44 0.37 0.64 1.09 0.49 -1.29 121.20 128.45 1ibb s ILE 31 Ca 0.02 -1.38 -0.19 0.00 -1.10 0.00 0.00 60.65 58.00 1ibb s ILE 31 Cb -0.18 -3.73 -0.10 0.00 -1.06 0.00 0.00 42.46 37.39 1ibb s ILE 31 CO 0.04 -0.56 0.84 -2.16 -0.10 0.00 0.00 174.94 173.01 1ibb s PRO 32 N 1.46 4.15 -0.41 2.79 0.04 -1.26 -0.86 135.00 140.91 1ibb s PRO 32 Ca 0.03 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.08 1ibb s PRO 32 Cb -0.24 -2.36 0.26 0.00 0.04 0.00 0.00 34.50 32.21 1ibb s PRO 32 CO 0.03 0.09 0.64 0.39 0.04 0.00 0.00 177.00 178.19 1ibb n GLU 33 N -0.39 0.77 -4.27 4.56 -0.58 -0.24 -4.05 120.64 116.43 1ibb n GLU 33 Ca 0.05 -2.89 -0.23 0.00 -0.42 0.00 0.00 57.16 53.66 1ibb n GLU 33 Cb 0.53 -1.31 -0.07 0.00 -0.57 0.00 0.00 31.44 30.02 1ibb n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ibb s LEU 34 N -1.27 3.23 0.28 -4.62 1.43 -0.89 -2.22 118.68 114.61 1ibb s LEU 34 Ca 0.35 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1ibb s LEU 34 Cb 0.21 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1ibb s LEU 34 CO -0.13 -0.02 0.36 0.00 0.23 0.00 0.00 176.35 176.79 1ibb s ALA 35 N -2.32 0.75 -1.41 4.21 0.00 0.12 -1.87 121.76 121.23 1ibb s ALA 35 Ca 0.32 -1.47 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 1ibb s ALA 35 Cb -0.06 1.23 0.04 0.00 0.00 0.00 0.00 23.12 24.33 1ibb s ALA 35 CO 0.20 -0.74 1.09 -0.25 0.00 0.00 0.00 175.76 176.07 1ibb n ASP 36 N -0.86 -5.46 -4.52 0.00 8.00 -0.97 -4.75 116.55 107.99 1ibb n ASP 36 Ca 0.01 -0.64 -0.24 0.00 0.71 0.00 0.00 54.79 54.64 1ibb n ASP 36 Cb 0.63 -4.59 -0.09 0.00 -0.02 0.00 0.00 41.12 37.04 1ibb n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ibb s LEU 37 N -7.24 2.74 0.09 0.64 1.43 -1.14 -5.08 118.68 110.11 1ibb s LEU 37 Ca 0.57 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 1ibb s LEU 37 Cb -0.27 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 1ibb s LEU 37 CO 0.77 0.01 1.01 0.42 0.23 0.00 0.00 176.35 178.78 1ibb s THR 38 N -2.48 4.47 0.49 5.49 -4.23 -1.26 -4.39 115.64 113.74 1ibb s THR 38 Ca 0.31 1.95 -0.22 0.00 -1.18 0.00 0.00 61.69 62.55 1ibb s THR 38 Cb -0.05 -4.25 -0.08 0.00 1.34 0.00 0.00 72.50 69.46 1ibb s THR 38 CO 0.16 0.25 1.06 -2.65 -0.54 0.00 0.00 174.62 172.90 1ibb n PRO 39 N 3.12 1.31 0.00 3.99 -0.02 -1.26 -4.75 135.00 137.40 1ibb n PRO 39 Ca 0.04 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1ibb n PRO 39 Cb 0.49 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1ibb n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibb n GLY 40 N 1.13 0.54 3.68 -1.23 0.00 -0.43 -4.94 105.19 103.95 1ibb n GLY 40 Ca 0.10 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1ibb n GLY 40 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ibb s MET 41 N -0.57 4.23 -0.05 1.61 1.75 -1.26 -1.12 119.30 123.89 1ibb s MET 41 Ca 0.00 0.35 0.03 0.00 -1.25 0.00 0.00 55.69 54.82 1ibb s MET 41 Cb 0.00 -3.51 -0.03 0.00 2.84 0.00 0.00 34.83 34.13 1ibb s MET 41 CO 0.00 -0.01 -0.12 -1.01 -0.65 0.00 0.00 175.02 173.23 1ibb s HIS 42 N 1.19 2.76 0.28 4.11 3.76 0.11 -3.47 115.29 124.02 1ibb s HIS 42 Ca 0.23 -0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 54.73 1ibb s HIS 42 Cb -0.15 -1.64 -0.11 0.00 1.11 0.00 0.00 32.58 31.79 1ibb s HIS 42 CO 0.09 0.23 1.54 0.20 -0.85 0.00 0.00 174.74 175.95 1ibb s GLY 43 N -0.79 2.19 -0.17 -2.22 0.00 -0.14 -0.51 107.32 105.68 1ibb s GLY 43 Ca 0.12 1.48 -0.03 0.00 0.00 0.00 0.00 44.72 46.28 1ibb s GLY 43 CO 0.01 2.45 0.05 -0.12 0.00 0.00 0.00 173.10 175.49 1ibb s PHE 44 N 0.00 0.63 0.07 1.90 5.36 -1.26 -0.91 117.98 123.78 1ibb s PHE 44 Ca 0.62 -0.53 -0.05 0.00 -0.96 0.00 0.00 56.93 56.00 1ibb s PHE 44 Cb -0.46 -0.85 -0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1ibb s PHE 44 CO 0.46 -0.53 0.10 -1.01 -1.46 0.00 0.00 175.22 172.78 1ibb s HIS 45 N 1.99 0.32 -0.15 10.12 3.76 -0.98 -2.87 115.29 127.48 1ibb s HIS 45 Ca 0.01 -0.80 -0.16 0.00 -0.15 0.00 0.00 55.06 53.96 1ibb s HIS 45 Cb -0.16 -0.20 -0.04 0.00 1.11 0.00 0.00 32.58 33.28 1ibb s HIS 45 CO -0.08 -0.48 0.39 0.42 -0.85 0.00 0.00 174.74 174.14 1ibb s ILE 46 N -3.89 5.24 0.28 0.60 -1.09 -0.09 -0.54 121.20 121.71 1ibb s ILE 46 Ca 0.06 0.76 0.06 0.00 -2.23 0.00 0.00 60.65 59.30 1ibb s ILE 46 Cb 0.06 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1ibb s ILE 46 CO -0.10 0.34 0.33 -1.00 -1.23 0.00 0.00 174.94 173.28 1ibb s HIS 47 N 0.63 3.21 0.05 3.97 3.76 0.96 -0.63 115.29 127.24 1ibb s HIS 47 Ca 0.21 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.70 1ibb s HIS 47 Cb -0.14 -1.65 -0.16 0.00 1.11 0.00 0.00 32.58 31.74 1ibb s HIS 47 CO 0.07 0.33 1.44 0.37 -0.85 0.00 0.00 174.74 176.10 1ibb h GLN 48 N 1.21 -0.96 -6.90 1.40 5.75 -0.85 -3.13 115.11 111.63 1ibb h GLN 48 Ca -0.49 0.07 -0.47 0.00 -0.15 0.00 0.00 58.65 57.61 1ibb h GLN 48 Cb 1.24 0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.99 1ibb h GLN 48 CO 0.59 -0.64 0.26 -0.80 -2.65 0.00 0.00 178.83 175.59 1ibb s ASN 49 N -3.65 6.98 -1.26 -0.69 0.01 -0.17 -4.64 114.94 111.52 1ibb s ASN 49 Ca -0.15 1.59 -0.09 0.00 -0.71 0.00 0.00 52.86 53.49 1ibb s ASN 49 Cb 0.02 -2.49 0.18 0.00 0.41 0.00 0.00 41.25 39.37 1ibb s ASN 49 CO 0.47 -0.24 1.81 0.61 -1.51 0.00 0.00 177.10 178.24 1ibb n GLY 50 N -0.24 4.71 3.55 0.66 0.00 -0.83 -2.78 105.19 110.27 1ibb n GLY 50 Ca 0.04 -2.15 -0.16 0.00 0.00 0.00 0.00 46.02 43.75 1ibb n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibb s SER 51 N 0.73 -0.63 -0.05 1.61 0.15 -1.26 -4.91 113.70 109.34 1ibb s SER 51 Ca 0.39 0.81 0.09 0.00 0.70 0.00 0.00 55.95 57.94 1ibb s SER 51 Cb 0.08 0.69 0.22 0.00 -1.71 0.00 0.00 66.02 65.30 1ibb s SER 51 CO 0.01 -0.49 1.16 0.00 1.20 0.00 0.00 173.24 175.12 1ibb s ALA 53 N -1.66 1.23 0.90 0.00 0.00 -1.26 -3.94 121.76 117.03 1ibb s ALA 53 Ca 0.19 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.99 1ibb s ALA 53 Cb 0.14 -3.22 0.14 0.00 0.00 0.00 0.00 23.12 20.18 1ibb s ALA 53 CO 0.06 -2.62 1.19 -1.12 0.00 0.00 0.00 175.76 173.27 1ibb s SER 54 N -3.23 3.68 0.12 0.00 0.01 -1.26 -1.42 113.70 111.60 1ibb s SER 54 Ca 0.64 0.73 -0.05 0.00 1.31 0.00 0.00 55.95 58.59 1ibb s SER 54 Cb -0.19 -1.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.86 1ibb s SER 54 CO 0.58 -2.42 0.14 -0.55 0.41 0.00 0.00 173.24 171.40 1ibb s SER 55 N -4.41 0.22 -0.08 2.44 0.15 -0.64 -3.73 113.70 107.64 1ibb s SER 55 Ca 0.65 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 56.34 1ibb s SER 55 Cb -0.11 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.51 1ibb s SER 55 CO 0.52 -0.76 -0.08 -0.70 1.20 0.00 0.00 173.24 173.41 1ibb s GLU 56 N -3.97 2.87 -0.27 5.44 -6.30 -1.26 0.56 118.70 115.76 1ibb s GLU 56 Ca 0.16 -0.58 -0.03 0.00 -2.50 0.00 0.00 54.97 52.01 1ibb s GLU 56 Cb 0.06 -2.59 0.11 0.00 0.00 0.00 0.00 34.13 31.70 1ibb s GLU 56 CO -0.03 0.57 0.18 0.21 0.02 0.00 0.00 175.26 176.20 1ibb s LYS 57 N -0.56 0.22 -1.31 4.30 2.36 0.16 -4.91 119.74 120.00 1ibb s LYS 57 Ca 0.08 -0.34 -0.00 0.00 -2.55 0.00 0.00 55.97 53.16 1ibb s LYS 57 Cb -0.12 -1.08 -0.00 0.00 -1.05 0.00 0.00 37.83 35.58 1ibb s LYS 57 CO 0.02 -0.97 0.67 -0.25 1.55 0.00 0.00 175.35 176.37 1ibb n ASP 58 N 5.27 -1.15 0.00 1.43 10.43 -1.26 -2.00 116.55 129.27 1ibb n ASP 58 Ca -0.05 -0.84 0.00 0.00 2.57 0.00 0.00 54.79 56.47 1ibb n ASP 58 Cb 0.44 -3.96 0.00 0.00 1.84 0.00 0.00 41.12 39.44 1ibb n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ibb n GLY 59 N -1.61 2.61 3.76 0.44 0.00 -1.26 -5.02 105.19 104.11 1ibb n GLY 59 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1ibb n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibb s LYS 60 N -0.21 2.97 0.21 1.61 1.02 -0.85 -5.09 119.74 119.40 1ibb s LYS 60 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 1ibb s LYS 60 Cb 0.00 -2.79 -0.08 0.00 -0.52 0.00 0.00 37.83 34.43 1ibb s LYS 60 CO 0.00 0.63 1.01 0.08 -0.92 0.00 0.00 175.35 176.14 1ibb s VAL 61 N -1.20 4.02 -0.38 3.17 1.01 -1.26 -0.67 120.40 125.09 1ibb s VAL 61 Ca 0.23 1.89 0.04 0.00 0.00 0.00 0.00 61.98 64.13 1ibb s VAL 61 Cb -0.12 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.17 1ibb s VAL 61 CO 0.14 0.39 0.10 -0.69 0.00 0.00 0.00 175.10 175.05 1ibb s VAL 62 N -0.73 2.22 0.11 2.92 1.01 0.19 -4.91 120.40 121.21 1ibb s VAL 62 Ca 0.45 -2.50 -0.33 0.00 0.00 0.00 0.00 61.98 59.60 1ibb s VAL 62 Cb -0.27 -2.62 -0.13 0.00 0.00 0.00 0.00 36.38 33.37 1ibb s VAL 62 CO 0.34 -0.66 1.71 0.18 0.00 0.00 0.00 175.10 176.66 1ibb n LEU 63 N 4.02 3.44 0.00 3.92 4.32 -1.26 -0.36 117.00 131.09 1ibb n LEU 63 Ca 0.04 1.04 0.00 0.00 -0.02 0.00 0.00 56.01 57.07 1ibb n LEU 63 Cb 0.40 -1.45 0.00 0.00 -1.62 0.00 0.00 43.42 40.74 1ibb n LEU 63 CO 0.24 -0.10 0.00 0.61 -1.22 0.00 0.00 177.39 176.92 1ibb n GLY 64 N 3.83 1.08 0.37 -0.72 0.00 -1.22 -4.58 105.19 103.95 1ibb n GLY 64 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1ibb n GLY 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ibb h GLY 65 N 0.00 0.67 2.00 -0.02 0.00 -0.63 -1.44 103.07 103.65 1ibb h GLY 65 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1ibb h GLY 65 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1ibb n ALA 66 N -2.52 1.12 0.38 3.60 0.00 -0.50 -1.35 120.51 121.23 1ibb n ALA 66 Ca 0.13 0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.88 1ibb n ALA 66 Cb 0.50 -1.29 0.53 0.00 0.00 0.00 0.00 19.45 19.18 1ibb n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibb h ALA 67 N 2.04 1.00 -0.27 0.00 0.00 -1.21 -3.43 119.26 117.38 1ibb h ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ibb h ALA 67 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ibb h ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ibb n GLY 68 N 0.13 -1.16 0.00 0.00 0.00 -0.45 -1.00 105.19 102.70 1ibb n GLY 68 Ca 0.02 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1ibb n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibb n GLY 69 N 0.00 -0.38 3.76 -0.02 0.00 -1.26 -4.67 105.19 102.61 1ibb n GLY 69 Ca 0.00 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1ibb n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibb s HIS 70 N 0.06 3.77 -0.10 1.61 3.76 -1.26 -0.72 115.29 122.42 1ibb s HIS 70 Ca 0.00 1.81 -0.36 0.00 -0.15 0.00 0.00 55.06 56.36 1ibb s HIS 70 Cb 0.00 -3.10 -0.13 0.00 1.11 0.00 0.00 32.58 30.45 1ibb s HIS 70 CO 0.00 -0.01 1.77 0.98 -0.85 0.00 0.00 174.74 176.63 1ibb n TYR 71 N 1.22 2.19 -3.01 1.40 9.36 0.20 -4.49 117.16 124.03 1ibb n TYR 71 Ca -0.01 0.22 -0.16 0.00 3.32 0.00 0.00 57.90 61.27 1ibb n TYR 71 Cb 0.46 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.61 1ibb n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ibb n ASP 72 N 5.60 -0.67 0.32 2.98 2.03 -1.26 -1.16 116.55 124.39 1ibb n ASP 72 Ca 0.23 -3.15 0.22 0.00 0.52 0.00 0.00 54.79 52.60 1ibb n ASP 72 Cb 0.24 0.38 1.13 0.00 -0.72 0.00 0.00 41.12 42.15 1ibb n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ibb h PRO 73 N 3.38 0.00 0.00 -0.67 0.13 -1.97 0.92 132.00 133.79 1ibb h PRO 73 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1ibb h PRO 73 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ibb h PRO 73 CO 0.37 0.00 -0.37 -1.91 -0.23 0.00 0.00 178.00 175.87 1ibb n GLU 74 N -3.03 0.14 -3.48 0.86 4.07 -1.26 -4.95 120.64 112.99 1ibb n GLU 74 Ca -0.02 0.06 -0.18 0.00 -0.06 0.00 0.00 57.16 56.95 1ibb n GLU 74 Cb 0.10 -1.61 0.07 0.00 -0.06 0.00 0.00 31.44 29.94 1ibb n GLU 74 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1ibb n HIS 75 N -1.82 -2.15 0.08 4.31 8.25 0.32 -4.92 115.22 119.28 1ibb n HIS 75 Ca 0.05 0.88 -0.03 0.00 -0.26 0.00 0.00 57.72 58.36 1ibb n HIS 75 Cb 0.39 -4.69 -0.07 0.00 1.12 0.00 0.00 29.99 26.73 1ibb n HIS 75 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1ibb h THR 76 N -1.76 1.25 -1.31 1.59 1.35 -1.90 -3.48 112.91 108.66 1ibb h THR 76 Ca -0.60 -2.84 -0.43 0.00 -0.55 0.00 0.00 66.41 62.00 1ibb h THR 76 Cb 1.34 2.60 -0.15 0.00 -1.73 0.00 0.00 68.15 70.22 1ibb h THR 76 CO 0.51 0.71 -0.41 0.59 -0.25 0.00 0.00 175.52 176.67 1ibb n ASN 77 N -3.24 -5.58 -4.12 5.36 3.02 -1.26 -4.90 115.26 104.54 1ibb n ASN 77 Ca -0.02 0.43 -0.14 0.00 -0.03 0.00 0.00 54.58 54.82 1ibb n ASN 77 Cb 0.87 -4.87 -0.11 0.00 -0.61 0.00 0.00 39.78 35.06 1ibb n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ibb s LYS 78 N -3.97 0.67 -0.11 3.52 1.02 -1.26 -5.04 119.74 114.57 1ibb s LYS 78 Ca 0.00 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 55.06 1ibb s LYS 78 Cb 0.00 -0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 36.81 1ibb s LYS 78 CO 0.00 0.09 -0.00 -1.58 -0.92 0.00 0.00 175.35 172.94 1ibb s HIS 79 N -1.65 3.14 0.00 3.18 5.65 -1.26 -0.47 115.29 123.88 1ibb s HIS 79 Ca -0.04 0.08 0.00 0.00 0.25 0.00 0.00 55.06 55.35 1ibb s HIS 79 Cb -0.08 -1.85 0.00 0.00 -1.18 0.00 0.00 32.58 29.47 1ibb s HIS 79 CO 0.01 0.33 0.00 0.41 -0.65 0.00 0.00 174.74 174.83 1ibb n GLY 80 N 2.58 3.94 3.92 1.59 0.00 -1.26 -4.12 105.19 111.84 1ibb n GLY 80 Ca -0.18 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 1ibb n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ibb s PHE 81 N -0.43 3.24 -0.16 1.61 0.08 -1.26 -4.63 117.98 116.42 1ibb s PHE 81 Ca 0.00 0.62 0.29 0.00 0.12 0.00 0.00 56.93 57.96 1ibb s PHE 81 Cb 0.00 -2.74 1.00 0.00 -0.57 0.00 0.00 43.02 40.71 1ibb s PHE 81 CO 0.00 -0.83 1.84 -1.35 -0.10 0.00 0.00 175.22 174.78 1ibb h PRO 82 N -0.17 0.00 -0.38 0.24 0.11 -1.87 -3.14 132.00 126.79 1ibb h PRO 82 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ibb h PRO 82 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ibb h PRO 82 CO 0.60 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.36 1ibb n PHE 83 N -2.96 1.26 -5.04 0.65 1.16 -1.26 -4.34 117.46 106.93 1ibb n PHE 83 Ca 0.02 -0.79 -0.32 0.00 -1.87 0.00 0.00 57.45 54.48 1ibb n PHE 83 Cb 0.37 -0.34 -0.14 0.00 -1.61 0.00 0.00 39.48 37.75 1ibb n PHE 83 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ibb s THR 84 N -2.62 2.66 -0.62 1.97 -4.23 -1.19 -5.05 115.64 106.56 1ibb s THR 84 Ca 0.45 -0.86 0.24 0.00 -1.18 0.00 0.00 61.69 60.34 1ibb s THR 84 Cb 0.35 -2.02 0.06 0.00 1.34 0.00 0.00 72.50 72.23 1ibb s THR 84 CO 0.12 0.58 1.32 0.44 -0.54 0.00 0.00 174.62 176.55 1ibb h ASP 85 N 5.63 0.00 -0.89 3.99 3.32 -1.92 -3.39 116.42 123.16 1ibb h ASP 85 Ca -0.41 -0.19 -0.47 0.00 0.02 0.00 0.00 57.03 55.97 1ibb h ASP 85 Cb 1.15 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.52 1ibb h ASP 85 CO 0.50 0.10 0.52 0.47 -1.72 0.00 0.00 179.24 179.10 1ibb n ASP 86 N -2.16 6.72 -3.76 6.45 8.00 -1.26 -4.90 116.55 125.65 1ibb n ASP 86 Ca 0.03 -3.28 -0.05 0.00 0.71 0.00 0.00 54.79 52.20 1ibb n ASP 86 Cb 0.45 -1.12 -0.02 0.00 -0.02 0.00 0.00 41.12 40.41 1ibb n ASP 86 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ibb s ASN 87 N -0.12 -0.23 -0.24 -2.24 4.22 -1.26 -4.70 114.94 110.37 1ibb s ASN 87 Ca 0.48 -0.43 -0.40 0.00 -2.14 0.00 0.00 52.86 50.37 1ibb s ASN 87 Cb 0.35 0.56 -0.18 0.00 1.28 0.00 0.00 41.25 43.26 1ibb s ASN 87 CO -0.12 -1.02 1.24 1.41 -2.04 0.00 0.00 177.10 176.56 1ibb n HIS 88 N -0.45 1.13 0.61 1.54 8.25 0.38 -4.79 115.22 121.90 1ibb n HIS 88 Ca -0.06 1.02 0.10 0.00 -0.26 0.00 0.00 57.72 58.52 1ibb n HIS 88 Cb 0.60 -1.99 0.42 0.00 1.12 0.00 0.00 29.99 30.14 1ibb n HIS 88 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ibb n LYS 89 N 2.58 0.05 0.00 -0.41 4.81 -0.97 -2.17 118.16 122.05 1ibb n LYS 89 Ca 0.24 0.22 0.15 0.00 -0.87 0.00 0.00 58.31 58.04 1ibb n LYS 89 Cb 0.01 -1.58 0.75 0.00 0.02 0.00 0.00 35.03 34.23 1ibb n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibb n GLY 90 N 0.45 -0.61 3.63 3.14 0.00 -0.31 -4.81 105.19 106.68 1ibb n GLY 90 Ca 0.04 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1ibb n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ibb s ASP 91 N -2.05 6.65 0.38 1.61 1.01 -0.92 -0.91 116.67 122.44 1ibb s ASP 91 Ca 0.42 1.11 0.08 0.00 0.71 0.00 0.00 52.55 54.87 1ibb s ASP 91 Cb 0.21 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 1ibb s ASP 91 CO 0.37 -1.11 0.26 -0.76 0.21 0.00 0.00 175.17 174.13 1ibb s LEU 92 N 4.44 3.35 0.62 1.23 1.43 -1.14 -4.15 118.68 124.46 1ibb s LEU 92 Ca 0.55 -0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 1ibb s LEU 92 Cb -0.15 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1ibb s LEU 92 CO 0.24 -0.47 1.13 -2.84 0.23 0.00 0.00 176.35 174.64 1ibb s PRO 93 N -3.98 2.98 0.58 1.29 0.02 -1.26 -4.69 135.00 129.93 1ibb s PRO 93 Ca 0.42 1.52 -0.20 0.00 0.02 0.00 0.00 61.00 62.76 1ibb s PRO 93 Cb -0.02 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1ibb s PRO 93 CO 0.25 -1.13 1.32 0.00 -0.33 0.00 0.00 177.00 177.11 1ibb s ALA 94 N -2.06 2.68 -0.22 -1.55 0.00 -1.26 -4.57 121.76 114.77 1ibb s ALA 94 Ca 0.70 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 53.73 1ibb s ALA 94 Cb -0.23 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 1ibb s ALA 94 CO 0.36 -1.40 0.56 -1.17 0.00 0.00 0.00 175.76 174.12 1ibb s LEU 95 N -3.79 4.11 -0.14 0.00 2.96 0.33 -4.86 118.68 117.29 1ibb s LEU 95 Ca 0.75 0.69 -0.20 0.00 -0.22 0.00 0.00 54.13 55.15 1ibb s LEU 95 Cb -0.38 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 1ibb s LEU 95 CO 0.44 -0.26 0.55 0.12 -1.32 0.00 0.00 176.35 175.87 1ibb s PHE 96 N 2.00 3.48 -0.19 5.38 5.36 -1.26 0.05 117.98 132.79 1ibb s PHE 96 Ca 0.25 0.93 -0.01 0.00 -0.96 0.00 0.00 56.93 57.15 1ibb s PHE 96 Cb -0.16 -2.66 0.01 0.00 -0.34 0.00 0.00 43.02 39.88 1ibb s PHE 96 CO 0.09 0.05 -0.14 0.08 -1.46 0.00 0.00 175.22 173.85 1ibb s VAL 97 N 1.05 2.60 1.30 3.12 1.01 -0.27 -4.42 120.40 124.79 1ibb s VAL 97 Ca 0.28 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 1ibb s VAL 97 Cb -0.16 -2.13 0.32 0.00 0.00 0.00 0.00 36.38 34.41 1ibb s VAL 97 CO 0.11 0.49 1.02 -0.94 0.00 0.00 0.00 175.10 175.79 1ibb s SER 98 N 1.31 0.01 0.44 3.32 1.04 0.15 -1.31 113.70 118.66 1ibb s SER 98 Ca 0.04 0.81 0.14 0.00 0.48 0.00 0.00 55.95 57.42 1ibb s SER 98 Cb -0.14 -1.15 0.98 0.00 0.10 0.00 0.00 66.02 65.81 1ibb s SER 98 CO -0.08 -4.70 1.98 0.00 0.98 0.00 0.00 173.24 171.41 1ibb h ALA 99 N -2.97 1.68 -0.17 5.32 0.00 -1.98 -1.95 119.26 119.18 1ibb h ALA 99 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1ibb h ALA 99 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ibb h ALA 99 CO 0.33 0.24 0.00 0.27 0.00 0.00 0.00 179.25 180.10 1ibb n ASN 100 N -4.31 0.99 -0.48 0.00 0.23 -1.26 -4.86 115.26 105.58 1ibb n ASN 100 Ca -0.02 -2.01 -0.06 0.00 -0.53 0.00 0.00 54.58 51.95 1ibb n ASN 100 Cb 0.26 -0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 37.79 1ibb n ASN 100 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ibb n GLY 101 N 0.75 0.85 3.62 4.83 0.00 -0.73 -4.79 105.19 109.72 1ibb n GLY 101 Ca 0.06 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 1ibb n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibb s LEU 102 N -1.41 3.25 -0.16 0.99 1.43 -1.26 -2.28 118.68 119.23 1ibb s LEU 102 Ca 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1ibb s LEU 102 Cb 0.00 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1ibb s LEU 102 CO 0.00 0.25 -0.10 0.00 0.23 0.00 0.00 176.35 176.73 1ibb s ALA 103 N -1.10 1.75 0.00 4.21 0.00 -0.78 -0.68 121.76 125.16 1ibb s ALA 103 Ca 0.20 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1ibb s ALA 103 Cb -0.11 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1ibb s ALA 103 CO 0.11 -0.61 0.24 0.25 0.00 0.00 0.00 175.76 175.74 1ibb n THR 104 N 4.79 0.04 -2.64 0.00 -2.24 -1.26 -2.10 114.28 110.87 1ibb n THR 104 Ca -0.14 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1ibb n THR 104 Cb 0.48 1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 70.23 1ibb n THR 104 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ibb s ASN 105 N -0.04 6.63 0.49 3.42 3.04 -1.26 -4.65 114.94 122.56 1ibb s ASN 105 Ca 0.00 0.45 -0.23 0.00 0.04 0.00 0.00 52.86 53.13 1ibb s ASN 105 Cb 0.00 -2.53 -0.06 0.00 -1.54 0.00 0.00 41.25 37.11 1ibb s ASN 105 CO 0.00 -1.19 1.27 -2.84 -3.04 0.00 0.00 177.10 171.29 1ibb s PRO 106 N 4.28 3.52 0.09 0.43 0.02 -1.26 -4.60 135.00 137.48 1ibb s PRO 106 Ca 0.46 2.02 0.06 0.00 0.02 0.00 0.00 61.00 63.57 1ibb s PRO 106 Cb -0.08 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 1ibb s PRO 106 CO 0.30 -0.82 -0.17 0.14 -0.33 0.00 0.00 177.00 176.12 1ibb s VAL 107 N -1.40 1.38 -0.10 3.83 -7.23 -0.41 -4.97 120.40 111.50 1ibb s VAL 107 Ca 0.66 -1.47 -0.00 0.00 -1.81 0.00 0.00 61.98 59.36 1ibb s VAL 107 Cb -0.35 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1ibb s VAL 107 CO 0.42 -0.19 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.71 1ibb s LEU 108 N -1.93 3.01 -0.43 1.32 2.96 -1.26 -0.38 118.68 121.96 1ibb s LEU 108 Ca 0.03 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1ibb s LEU 108 Cb -0.09 -1.67 0.12 0.00 0.50 0.00 0.00 46.19 45.04 1ibb s LEU 108 CO 0.03 0.26 0.16 0.00 -1.32 0.00 0.00 176.35 175.49 1ibb s ALA 109 N -0.23 3.08 0.54 5.97 0.00 0.09 -4.63 121.76 126.58 1ibb s ALA 109 Ca 0.02 -2.91 0.22 0.00 0.00 0.00 0.00 51.96 49.30 1ibb s ALA 109 Cb -0.13 -2.06 1.47 0.00 0.00 0.00 0.00 23.12 22.40 1ibb s ALA 109 CO 0.03 -1.86 2.17 -1.00 0.00 0.00 0.00 175.76 175.10 1ibb h PRO 110 N 7.04 0.00 -0.01 0.00 0.13 -1.80 -2.33 132.00 135.02 1ibb h PRO 110 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1ibb h PRO 110 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ibb h PRO 110 CO 0.60 0.02 -0.10 0.54 -0.23 0.00 0.00 178.00 178.84 1ibb n ARG 111 N -4.21 1.09 -4.01 0.86 1.74 -1.26 -4.65 116.66 106.21 1ibb n ARG 111 Ca -0.03 -0.52 -0.22 0.00 -0.77 0.00 0.00 57.85 56.31 1ibb n ARG 111 Cb 0.11 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 1ibb n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ibb s LEU 112 N -2.27 3.74 0.07 0.55 1.43 -1.06 -5.08 118.68 116.06 1ibb s LEU 112 Ca 0.33 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 1ibb s LEU 112 Cb 0.20 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1ibb s LEU 112 CO 0.43 -0.15 -0.13 0.42 0.23 0.00 0.00 176.35 177.15 1ibb s THR 113 N -2.19 1.01 0.14 5.49 -4.23 -1.26 -3.79 115.64 110.81 1ibb s THR 113 Ca 0.36 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.41 1ibb s THR 113 Cb -0.07 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.75 1ibb s THR 113 CO 0.25 -0.27 1.78 -0.07 -0.54 0.00 0.00 174.62 175.78 1ibb h LEU 114 N 4.29 0.39 -1.93 4.79 3.38 -1.95 -3.16 115.31 121.12 1ibb h LEU 114 Ca -0.40 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1ibb h LEU 114 Cb 1.19 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1ibb h LEU 114 CO 0.41 0.31 0.24 0.11 0.09 0.00 0.00 178.44 179.59 1ibb h LYS 115 N 0.44 0.08 0.00 1.13 1.57 -2.00 -1.89 116.57 115.90 1ibb h LYS 115 Ca 0.12 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ibb h LYS 115 Cb -0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1ibb h LYS 115 CO -0.02 0.05 -0.25 -0.85 -0.57 0.00 0.00 179.45 177.81 1ibb n GLU 116 N -4.46 0.09 0.17 3.15 0.28 -1.19 -3.90 120.64 114.78 1ibb n GLU 116 Ca 0.05 0.05 0.07 0.00 -0.16 0.00 0.00 57.16 57.16 1ibb n GLU 116 Cb 0.36 -1.58 0.08 0.00 1.43 0.00 0.00 31.44 31.73 1ibb n GLU 116 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1ibb h LEU 117 N 0.00 0.00 -9.68 -1.84 3.38 -1.40 -3.46 115.31 102.31 1ibb h LEU 117 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1ibb h LEU 117 Cb 0.58 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.41 1ibb h LEU 117 CO 0.00 0.27 0.78 0.29 0.09 0.00 0.00 178.44 179.87 1ibb n LYS 118 N -3.13 2.41 -0.60 1.13 5.02 -1.25 -1.88 118.16 119.86 1ibb n LYS 118 Ca 0.02 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1ibb n LYS 118 Cb 0.64 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1ibb n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibb n GLY 119 N 2.36 0.75 3.62 0.72 0.00 0.10 -5.02 105.19 107.72 1ibb n GLY 119 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1ibb n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibb s HIS 120 N -2.59 2.68 -0.08 1.61 3.76 -0.79 -1.96 115.29 117.92 1ibb s HIS 120 Ca 0.00 -0.21 -0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1ibb s HIS 120 Cb 0.00 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 1ibb s HIS 120 CO 0.00 0.57 0.19 0.00 -0.85 0.00 0.00 174.74 174.65 1ibb s ALA 121 N -2.04 3.87 -0.21 -1.40 0.00 -1.12 -0.92 121.76 119.95 1ibb s ALA 121 Ca 0.29 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1ibb s ALA 121 Cb -0.08 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 1ibb s ALA 121 CO 0.18 0.63 0.18 0.42 0.00 0.00 0.00 175.76 177.17 1ibb s ILE 122 N -1.10 5.36 0.08 0.00 1.01 0.14 -0.03 121.20 126.66 1ibb s ILE 122 Ca 0.19 0.27 0.08 0.00 0.00 0.00 0.00 60.65 61.19 1ibb s ILE 122 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1ibb s ILE 122 CO 0.08 0.39 -0.20 -0.32 0.00 0.00 0.00 174.94 174.89 1ibb s MET 123 N 0.68 1.88 -0.09 2.79 1.75 0.29 -1.62 119.30 124.97 1ibb s MET 123 Ca 0.10 -1.10 0.02 0.00 -1.25 0.00 0.00 55.69 53.45 1ibb s MET 123 Cb -0.12 -2.11 0.02 0.00 2.84 0.00 0.00 34.83 35.45 1ibb s MET 123 CO 0.02 0.51 -0.13 0.42 -0.65 0.00 0.00 175.02 175.19 1ibb s ILE 124 N -1.01 1.26 0.33 10.11 1.01 0.28 -2.31 121.20 130.87 1ibb s ILE 124 Ca 0.16 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.36 1ibb s ILE 124 Cb -0.10 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1ibb s ILE 124 CO 0.07 0.39 0.45 -1.00 0.00 0.00 0.00 174.94 174.86 1ibb s HIS 125 N 0.98 3.11 0.01 3.97 3.76 -0.08 -0.28 115.29 126.76 1ibb s HIS 125 Ca -0.08 -0.22 -0.22 0.00 -0.15 0.00 0.00 55.06 54.39 1ibb s HIS 125 Cb -0.15 -1.97 -0.18 0.00 1.11 0.00 0.00 32.58 31.39 1ibb s HIS 125 CO -0.01 0.01 1.25 0.00 -0.85 0.00 0.00 174.74 175.15 1ibb h ALA 126 N 0.92 0.13 -3.72 -1.40 0.00 -0.78 -3.36 119.26 111.06 1ibb h ALA 126 Ca -0.46 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 53.97 1ibb h ALA 126 Cb 1.26 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 19.06 1ibb h ALA 126 CO 0.53 0.05 0.07 0.41 0.00 0.00 0.00 179.25 180.31 1ibb n GLY 127 N 0.44 -0.20 0.00 0.00 0.00 0.28 -4.85 105.19 100.86 1ibb n GLY 127 Ca -0.08 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1ibb n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibb n GLY 128 N 2.77 1.29 3.15 -0.02 0.00 -1.23 -0.96 105.19 110.19 1ibb n GLY 128 Ca 0.05 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.52 1ibb n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibb s ASP 129 N -1.00 -1.26 -0.06 1.61 -1.08 -1.25 -2.84 116.67 110.79 1ibb s ASP 129 Ca 0.00 0.65 0.15 0.00 -0.52 0.00 0.00 52.55 52.83 1ibb s ASP 129 Cb 0.00 2.00 0.55 0.00 -1.46 0.00 0.00 42.92 44.02 1ibb s ASP 129 CO 0.00 -0.24 1.44 -0.46 0.52 0.00 0.00 175.17 176.44 1ibb n ASN 130 N 5.42 3.65 -3.78 -0.34 6.94 -1.04 -4.88 115.26 121.23 1ibb n ASN 130 Ca -0.01 -2.25 -0.27 0.00 -0.02 0.00 0.00 54.58 52.04 1ibb n ASN 130 Cb 0.52 -0.48 0.02 0.00 -2.36 0.00 0.00 39.78 37.48 1ibb n ASN 130 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1ibb n HIS 131 N 0.94 -1.82 -3.55 -2.53 8.25 -1.26 -4.98 115.22 110.27 1ibb n HIS 131 Ca 0.20 0.66 -0.11 0.00 -0.26 0.00 0.00 57.72 58.21 1ibb n HIS 131 Cb 0.66 -3.78 -0.04 0.00 1.12 0.00 0.00 29.99 27.95 1ibb n HIS 131 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ibb s SER 132 N -4.01 -0.40 -0.03 0.41 0.15 -1.26 -4.21 113.70 104.34 1ibb s SER 132 Ca 0.19 0.32 0.06 0.00 0.70 0.00 0.00 55.95 57.22 1ibb s SER 132 Cb -0.07 0.36 0.22 0.00 -1.71 0.00 0.00 66.02 64.82 1ibb s SER 132 CO 0.86 -0.46 1.04 0.47 1.20 0.00 0.00 173.24 176.35 1ibb n ASP 133 N 0.47 1.71 -3.87 5.45 8.00 -1.26 -0.83 116.55 126.21 1ibb n ASP 133 Ca -0.11 -2.12 -0.13 0.00 0.71 0.00 0.00 54.79 53.15 1ibb n ASP 133 Cb 0.59 -0.32 -0.14 0.00 -0.02 0.00 0.00 41.12 41.23 1ibb n ASP 133 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ibb s MET 134 N -1.63 0.05 0.54 -1.24 -1.94 -1.26 -3.17 119.30 110.64 1ibb s MET 134 Ca 0.15 -0.01 0.32 0.00 -1.71 0.00 0.00 55.69 54.45 1ibb s MET 134 Cb 0.10 -0.06 1.26 0.00 2.01 0.00 0.00 34.83 38.14 1ibb s MET 134 CO 0.08 0.00 1.95 -1.00 -0.01 0.00 0.00 175.02 176.04 1ibb h PRO 135 N 6.20 0.00 -6.31 2.03 0.13 -1.97 -3.49 132.00 128.58 1ibb h PRO 135 Ca -0.26 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.19 1ibb h PRO 135 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1ibb h PRO 135 CO 0.51 0.01 -0.73 0.15 -0.23 0.00 0.00 178.00 177.70 1ibb s LYS 136 N -3.63 2.50 0.79 0.86 1.02 -1.25 -5.09 119.74 114.95 1ibb s LYS 136 Ca 0.02 -0.72 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 1ibb s LYS 136 Cb 0.09 -2.44 0.07 0.00 -0.52 0.00 0.00 37.83 35.03 1ibb s LYS 136 CO 0.56 0.61 1.17 0.00 -0.92 0.00 0.00 175.35 176.76 1ibb s ALA 137 N -0.88 1.96 -1.39 5.17 0.00 -1.19 -3.13 121.76 122.30 1ibb s ALA 137 Ca 0.14 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 52.69 1ibb s ALA 137 Cb -0.11 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.64 1ibb s ALA 137 CO 0.04 -2.10 0.60 1.28 0.00 0.00 0.00 175.76 175.57 1ibb n LEU 138 N -3.29 -1.98 0.00 0.00 4.77 -1.26 -1.57 117.00 113.67 1ibb n LEU 138 Ca 0.12 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1ibb n LEU 138 Cb 0.51 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.20 1ibb n LEU 138 CO 0.49 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1ibb n GLY 139 N -1.34 0.29 1.51 -0.72 0.00 -0.01 -3.19 105.19 101.72 1ibb n GLY 139 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ibb n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibb n GLY 140 N -1.53 0.57 0.26 -0.02 0.00 -0.61 -2.49 105.19 101.37 1ibb n GLY 140 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.60 1ibb n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ibb h GLY 141 N 0.00 0.00 0.00 -0.02 0.00 -1.48 -3.35 103.07 98.22 1ibb h GLY 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ibb h GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ibb n GLY 142 N -1.25 2.68 3.60 4.60 0.00 -1.26 -0.55 105.19 113.00 1ibb n GLY 142 Ca -0.03 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1ibb n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibb n ALA 143 N 8.90 -0.75 -2.60 4.61 0.00 -1.26 -4.72 120.51 124.68 1ibb n ALA 143 Ca 0.00 -0.35 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 1ibb n ALA 143 Cb 0.00 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.26 1ibb n ALA 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ibb s ARG 144 N -3.73 3.98 -0.21 0.00 0.52 -1.26 -0.66 118.95 117.59 1ibb s ARG 144 Ca 0.69 -0.23 0.11 0.00 -0.52 0.00 0.00 55.73 55.78 1ibb s ARG 144 Cb -0.29 -3.64 -0.21 0.00 0.52 0.00 0.00 34.95 31.32 1ibb s ARG 144 CO 0.55 -0.17 -0.05 1.33 0.02 0.00 0.00 175.30 176.98 1ibb n VAL 145 N 4.97 1.37 -4.19 3.52 0.24 0.62 -4.80 118.33 120.06 1ibb n VAL 145 Ca -0.13 -0.72 -0.16 0.00 -2.04 0.00 0.00 64.34 61.29 1ibb n VAL 145 Cb 0.52 -0.84 -0.13 0.00 -1.47 0.00 0.00 33.84 31.92 1ibb n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ibb s ALA 146 N -2.48 0.69 0.02 2.33 0.00 -0.87 -0.80 121.76 120.65 1ibb s ALA 146 Ca -0.19 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1ibb s ALA 146 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1ibb s ALA 146 CO 0.71 0.10 0.22 0.00 0.00 0.00 0.00 175.76 176.79 1ibb s GLY 148 N -1.83 -0.45 -0.15 0.00 0.00 -0.64 -1.49 107.32 102.75 1ibb s GLY 148 Ca -0.08 1.48 -0.14 0.00 0.00 0.00 0.00 44.72 45.99 1ibb s GLY 148 CO -0.01 1.22 0.29 0.14 0.00 0.00 0.00 173.10 174.74 1ibb s VAL 149 N -0.19 5.30 -0.41 1.40 1.01 -1.26 0.27 120.40 126.51 1ibb s VAL 149 Ca -0.04 0.55 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 1ibb s VAL 149 Cb -0.03 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1ibb s VAL 149 CO 0.03 0.41 0.92 -0.63 0.00 0.00 0.00 175.10 175.83 1ibb s ILE 150 N 0.32 4.53 0.00 2.22 1.01 -0.09 -4.73 121.20 124.47 1ibb s ILE 150 Ca 0.17 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1ibb s ILE 150 Cb -0.13 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1ibb s ILE 150 CO 0.04 -0.68 0.35 0.00 0.00 0.00 0.00 174.94 174.65