#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cni s TRP 5 N 0.00 2.65 0.00 4.41 1.48 -1.26 -4.90 118.94 121.32 1cni s TRP 5 Ca 0.00 1.54 0.00 0.00 -1.06 0.00 0.00 56.10 56.58 1cni s TRP 5 Cb 0.00 -3.06 0.00 0.00 -1.16 0.00 0.00 33.47 29.25 1cni s TRP 5 CO 0.00 -1.70 0.00 0.41 -4.06 0.00 0.00 176.95 171.60 1cni n GLY 6 N -1.13 2.62 0.15 3.67 0.00 -0.05 -5.02 105.19 105.42 1cni n GLY 6 Ca 0.09 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 45.68 1cni n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cni n TYR 7 N 0.00 0.00 -2.31 1.61 4.01 -1.26 -3.84 117.16 115.36 1cni n TYR 7 Ca 0.00 -0.59 -0.25 0.00 -0.16 0.00 0.00 57.90 56.90 1cni n TYR 7 Cb 0.00 -0.09 0.10 0.00 -0.31 0.00 0.00 39.34 39.04 1cni n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cni s GLY 8 N -1.83 1.75 0.40 2.72 0.00 -1.26 -4.69 107.32 104.40 1cni s GLY 8 Ca 0.16 -1.29 0.06 0.00 0.00 0.00 0.00 44.72 43.64 1cni s GLY 8 CO 0.01 -0.77 2.04 1.70 0.00 0.00 0.00 173.10 176.09 1cni h LYS 9 N -0.74 0.58 -0.01 2.90 3.64 -1.97 0.50 116.57 121.46 1cni h LYS 9 Ca -0.41 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1cni h LYS 9 Cb 1.28 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1cni h LYS 9 CO 0.48 0.40 -0.58 0.72 -2.27 0.00 0.00 179.45 178.20 1cni n HIS 10 N -4.45 0.00 -1.43 1.91 8.25 -1.26 -4.45 115.22 113.78 1cni n HIS 10 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1cni n HIS 10 Cb 0.07 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1cni n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cni n ASN 11 N -0.63 0.00 -3.42 0.41 6.94 -1.09 -4.97 115.26 112.50 1cni n ASN 11 Ca 0.08 -1.33 -0.24 0.00 -0.02 0.00 0.00 54.58 53.06 1cni n ASN 11 Cb 0.40 -0.07 0.20 0.00 -2.36 0.00 0.00 39.78 37.95 1cni n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cni n GLY 12 N 0.00 -2.34 0.52 4.83 0.00 0.17 -0.87 105.19 107.51 1cni n GLY 12 Ca 0.00 -1.55 0.39 0.00 0.00 0.00 0.00 46.02 44.86 1cni n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cni h PRO 13 N 0.00 0.08 0.00 1.61 0.11 -1.84 0.16 132.00 132.12 1cni h PRO 13 Ca -0.34 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 1cni h PRO 13 Cb 1.01 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1cni h PRO 13 CO 0.23 0.05 -0.16 0.93 -0.21 0.00 0.00 178.00 178.84 1cni h GLU 14 N 0.08 0.00 0.00 1.05 4.39 -1.93 -3.00 114.58 115.16 1cni h GLU 14 Ca 0.80 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.50 1cni h GLU 14 Cb 2.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.37 1cni h GLU 14 CO -0.27 0.16 -1.26 0.72 -1.16 0.00 0.00 179.01 177.20 1cni n HIS 15 N -3.52 0.17 -0.29 4.33 8.25 0.56 -4.56 115.22 120.16 1cni n HIS 15 Ca -0.01 0.05 0.20 0.00 -0.26 0.00 0.00 57.72 57.70 1cni n HIS 15 Cb 0.31 -0.38 0.49 0.00 1.12 0.00 0.00 29.99 31.53 1cni n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1cni h TRP 16 N 0.00 0.63 -0.25 4.41 6.55 -1.46 -2.30 115.95 123.53 1cni h TRP 16 Ca 0.00 0.02 0.07 0.00 0.95 0.00 0.00 58.89 59.93 1cni h TRP 16 Cb 0.76 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.86 1cni h TRP 16 CO 0.00 0.12 0.24 1.12 -1.05 0.00 0.00 178.44 178.87 1cni h HIS 17 N 0.43 0.00 -0.47 0.49 2.07 -1.80 0.03 115.15 115.89 1cni h HIS 17 Ca 0.53 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.98 1cni h HIS 17 Cb 1.30 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.26 1cni h HIS 17 CO -0.00 0.00 -0.01 0.87 -3.07 0.00 0.00 177.93 175.71 1cni h LYS 18 N 0.00 0.79 0.00 5.12 1.57 -1.76 -2.61 116.57 119.68 1cni h LYS 18 Ca 0.12 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 1cni h LYS 18 Cb 0.60 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1cni h LYS 18 CO -0.00 0.81 -2.07 -0.25 -0.57 0.00 0.00 179.45 177.36 1cni n ASP 19 N -4.21 0.04 -3.59 0.86 8.00 -0.86 -4.72 116.55 112.07 1cni n ASP 19 Ca 0.02 0.02 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 1cni n ASP 19 Cb 0.31 1.64 -0.11 0.00 -0.02 0.00 0.00 41.12 42.94 1cni n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cni s PHE 20 N -3.22 1.94 0.57 1.24 0.08 -0.06 -4.98 117.98 113.55 1cni s PHE 20 Ca -0.08 -2.61 0.31 0.00 0.12 0.00 0.00 56.93 54.66 1cni s PHE 20 Cb 0.12 -1.59 1.43 0.00 -0.57 0.00 0.00 43.02 42.41 1cni s PHE 20 CO 0.88 -0.74 1.81 -1.35 -0.10 0.00 0.00 175.22 175.73 1cni h PRO 21 N 5.78 0.00 0.00 0.24 0.11 -1.71 0.16 132.00 136.58 1cni h PRO 21 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1cni h PRO 21 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1cni h PRO 21 CO 0.48 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.78 1cni n ILE 22 N -3.85 1.47 0.11 4.15 0.13 -1.26 -1.99 119.36 118.11 1cni n ILE 22 Ca 0.15 0.51 0.16 0.00 -1.10 0.00 0.00 62.75 62.48 1cni n ILE 22 Cb 0.93 -1.47 0.69 0.00 -0.84 0.00 0.00 39.64 38.95 1cni n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1cni h ALA 23 N 2.09 2.26 -0.76 1.51 0.00 -1.29 0.28 119.26 123.35 1cni h ALA 23 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1cni h ALA 23 Cb 0.07 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.70 1cni h ALA 23 CO 0.00 -0.41 0.35 1.63 0.00 0.00 0.00 179.25 180.82 1cni n LYS 24 N -4.36 3.04 -0.72 0.00 5.02 -0.84 -4.95 118.16 115.36 1cni n LYS 24 Ca 0.05 -3.07 -0.17 0.00 -2.02 0.00 0.00 58.31 53.10 1cni n LYS 24 Cb 0.41 -2.15 0.13 0.00 -0.02 0.00 0.00 35.03 33.40 1cni n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cni n GLY 25 N -0.58 -2.26 0.15 0.72 0.00 0.98 -5.00 105.19 99.20 1cni n GLY 25 Ca 0.45 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 45.00 1cni n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1cni h GLU 26 N 0.00 0.00 -1.83 1.61 4.39 -1.95 -3.39 114.58 113.42 1cni h GLU 26 Ca -0.23 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.97 1cni h GLU 26 Cb 0.69 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.94 1cni h GLU 26 CO 0.16 0.22 -1.01 2.89 -1.16 0.00 0.00 179.01 180.10 1cni n ARG 27 N -3.03 1.82 -2.96 2.33 1.85 -1.26 -4.69 116.66 110.72 1cni n ARG 27 Ca 0.00 -3.84 -0.32 0.00 -1.00 0.00 0.00 57.85 52.70 1cni n ARG 27 Cb 0.65 -1.80 -0.05 0.00 -1.05 0.00 0.00 32.46 30.21 1cni n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1cni s GLN 28 N -2.94 3.95 0.21 2.89 -1.52 -1.26 -2.72 119.66 118.27 1cni s GLN 28 Ca 0.41 0.67 0.09 0.00 -1.95 0.00 0.00 55.36 54.58 1cni s GLN 28 Cb 0.36 -2.37 -0.05 0.00 -0.22 0.00 0.00 33.01 30.73 1cni s GLN 28 CO -0.08 0.04 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.70 1cni s SER 29 N -2.61 2.90 0.95 5.90 0.01 -1.26 -4.68 113.70 114.91 1cni s SER 29 Ca 0.54 -0.96 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1cni s SER 29 Cb -0.10 -0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.14 1cni s SER 29 CO 0.23 -0.06 1.23 -0.81 0.41 0.00 0.00 173.24 174.23 1cni n PRO 30 N -0.19 -1.05 -4.10 12.44 -0.04 -1.26 -4.62 135.00 136.18 1cni n PRO 30 Ca -0.09 -2.10 -0.09 0.00 -0.04 0.00 0.00 63.50 61.19 1cni n PRO 30 Cb 0.59 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.75 1cni n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cni s VAL 31 N -3.66 0.14 0.01 0.52 -7.23 -1.26 -0.07 120.40 108.84 1cni s VAL 31 Ca 0.71 -1.79 -0.23 0.00 -1.81 0.00 0.00 61.98 58.86 1cni s VAL 31 Cb -0.02 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1cni s VAL 31 CO 0.49 -0.63 0.70 -0.62 -0.31 0.00 0.00 175.10 174.73 1cni s ASP 32 N -2.99 7.09 -0.48 4.85 2.15 -1.26 -3.29 116.67 122.74 1cni s ASP 32 Ca 0.17 1.30 -0.17 0.00 0.43 0.00 0.00 52.55 54.28 1cni s ASP 32 Cb 0.07 -2.42 0.06 0.00 -0.30 0.00 0.00 42.92 40.33 1cni s ASP 32 CO -0.03 0.01 0.49 -0.63 -0.17 0.00 0.00 175.17 174.84 1cni s ILE 33 N 0.09 5.08 -0.53 4.11 1.01 0.53 -4.94 121.20 126.55 1cni s ILE 33 Ca 0.36 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 1cni s ILE 33 Cb -0.19 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.13 1cni s ILE 33 CO 0.20 -0.65 0.92 -0.62 0.00 0.00 0.00 174.94 174.79 1cni s ASP 34 N 2.55 6.37 0.61 3.58 -1.08 -1.26 -0.48 116.67 126.96 1cni s ASP 34 Ca 0.09 -0.26 0.40 0.00 -0.52 0.00 0.00 52.55 52.27 1cni s ASP 34 Cb -0.22 -2.43 2.11 0.00 -1.46 0.00 0.00 42.92 40.92 1cni s ASP 34 CO 0.09 -1.17 2.23 0.71 0.52 0.00 0.00 175.17 177.55 1cni h THR 35 N 6.03 0.00 0.00 1.71 1.35 -1.95 -2.30 112.91 117.74 1cni h THR 35 Ca -0.26 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1cni h THR 35 Cb 1.07 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1cni h THR 35 CO 1.07 0.00 -0.80 1.41 -0.25 0.00 0.00 175.52 176.94 1cni n HIS 36 N -2.99 0.52 0.49 4.73 8.25 -1.26 -4.00 115.22 120.95 1cni n HIS 36 Ca -0.02 0.15 0.05 0.00 -0.26 0.00 0.00 57.72 57.64 1cni n HIS 36 Cb 0.11 -0.63 -0.01 0.00 1.12 0.00 0.00 29.99 30.58 1cni n HIS 36 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1cni n THR 37 N -2.14 0.00 -2.05 1.59 -2.24 -1.00 -4.98 114.28 103.47 1cni n THR 37 Ca 0.02 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 61.04 1cni n THR 37 Cb 0.45 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.78 1cni n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cni s ALA 38 N -1.55 3.42 -0.31 6.98 0.00 -0.90 -4.85 121.76 124.55 1cni s ALA 38 Ca 0.08 1.30 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 1cni s ALA 38 Cb 0.09 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1cni s ALA 38 CO 0.31 -0.77 0.39 0.21 0.00 0.00 0.00 175.76 175.90 1cni s LYS 39 N -2.00 3.79 -0.12 0.00 2.47 -0.01 -4.84 119.74 119.02 1cni s LYS 39 Ca 0.52 -0.16 -0.29 0.00 -1.56 0.00 0.00 55.97 54.48 1cni s LYS 39 Cb -0.40 -3.73 -0.04 0.00 -1.46 0.00 0.00 37.83 32.19 1cni s LYS 39 CO 0.53 -0.42 1.61 -0.47 0.16 0.00 0.00 175.35 176.76 1cni s TYR 40 N 2.10 2.09 -0.36 4.03 5.04 -1.26 -0.51 117.35 128.48 1cni s TYR 40 Ca 0.14 0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 55.12 1cni s TYR 40 Cb -0.16 -3.89 0.06 0.00 0.35 0.00 0.00 41.96 38.32 1cni s TYR 40 CO 0.11 -3.34 0.13 0.34 -1.34 0.00 0.00 175.55 171.45 1cni s ASP 41 N 3.59 5.27 0.02 4.32 -1.08 -0.35 -4.89 116.67 123.56 1cni s ASP 41 Ca 0.71 -1.40 0.14 0.00 -0.52 0.00 0.00 52.55 51.48 1cni s ASP 41 Cb -0.29 -1.85 0.60 0.00 -1.46 0.00 0.00 42.92 39.91 1cni s ASP 41 CO 0.28 -0.39 1.45 -0.81 0.52 0.00 0.00 175.17 176.21 1cni n PRO 42 N 4.75 0.02 0.01 4.34 -0.04 -1.26 -2.27 135.00 140.55 1cni n PRO 42 Ca -0.10 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1cni n PRO 42 Cb 0.43 -1.53 0.34 0.00 -0.04 0.00 0.00 33.50 32.70 1cni n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cni n SER 43 N -1.56 0.41 -4.66 3.54 3.41 -1.26 -4.84 113.62 108.66 1cni n SER 43 Ca 0.03 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 1cni n SER 43 Cb 0.16 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1cni n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cni s LEU 44 N -3.21 4.31 0.59 1.04 1.02 -0.96 -4.99 118.68 116.48 1cni s LEU 44 Ca 0.11 2.26 -0.11 0.00 0.02 0.00 0.00 54.13 56.41 1cni s LEU 44 Cb 0.17 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.81 1cni s LEU 44 CO 0.66 -0.97 0.99 -1.59 0.02 0.00 0.00 176.35 175.46 1cni s LYS 45 N 4.15 3.63 0.67 1.70 -2.85 -1.25 -4.99 119.74 120.80 1cni s LYS 45 Ca 0.76 0.69 -0.15 0.00 -1.00 0.00 0.00 55.97 56.27 1cni s LYS 45 Cb -0.34 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 1cni s LYS 45 CO 0.31 -0.49 1.13 -1.25 0.10 0.00 0.00 175.35 175.16 1cni s PRO 46 N -5.00 2.69 0.50 1.78 0.04 -1.26 -2.78 135.00 130.96 1cni s PRO 46 Ca 0.54 1.49 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1cni s PRO 46 Cb -0.11 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 1cni s PRO 46 CO 0.50 -1.36 1.07 -0.51 0.04 0.00 0.00 177.00 176.74 1cni s LEU 47 N -4.85 3.83 -0.22 -3.56 1.43 -1.26 -1.38 118.68 112.67 1cni s LEU 47 Ca 0.69 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.81 1cni s LEU 47 Cb -0.23 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.50 1cni s LEU 47 CO 0.41 -0.90 -0.08 -0.55 0.23 0.00 0.00 176.35 175.47 1cni s SER 48 N -1.89 3.71 -0.32 2.29 0.15 0.26 -4.86 113.70 113.04 1cni s SER 48 Ca 0.68 -1.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.22 1cni s SER 48 Cb -0.19 -1.22 0.05 0.00 -1.71 0.00 0.00 66.02 62.94 1cni s SER 48 CO 0.22 -0.20 0.05 -0.69 1.20 0.00 0.00 173.24 173.83 1cni s VAL 49 N 1.37 3.34 -0.66 4.45 1.01 -1.26 -1.32 120.40 127.33 1cni s VAL 49 Ca -0.04 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.60 1cni s VAL 49 Cb -0.18 -2.92 0.17 0.00 0.00 0.00 0.00 36.38 33.45 1cni s VAL 49 CO -0.07 -0.17 0.48 -0.44 0.00 0.00 0.00 175.10 174.91 1cni s SER 50 N 1.35 5.28 0.00 3.32 0.01 -0.12 -4.87 113.70 118.67 1cni s SER 50 Ca -0.03 -3.00 0.14 0.00 1.31 0.00 0.00 55.95 54.37 1cni s SER 50 Cb -0.20 -1.85 0.32 0.00 0.21 0.00 0.00 66.02 64.50 1cni s SER 50 CO 0.00 -0.33 1.23 -1.22 0.41 0.00 0.00 173.24 173.33 1cni n TYR 51 N 3.29 0.44 0.17 2.43 4.01 -1.26 -1.04 117.16 125.20 1cni n TYR 51 Ca 0.10 -0.36 0.15 0.00 -0.16 0.00 0.00 57.90 57.62 1cni n TYR 51 Cb 0.37 -0.01 0.73 0.00 -0.31 0.00 0.00 39.34 40.12 1cni n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1cni h ASP 52 N 2.73 0.00 -0.35 7.72 2.03 -1.90 -2.32 116.42 124.32 1cni h ASP 52 Ca 0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 1cni h ASP 52 Cb 0.75 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.20 1cni h ASP 52 CO 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 179.24 178.23 1cni n GLN 53 N -4.25 2.70 -1.76 4.15 1.13 -1.23 -5.04 117.38 113.09 1cni n GLN 53 Ca 0.02 -2.97 -0.40 0.00 -1.94 0.00 0.00 57.00 51.71 1cni n GLN 53 Cb 0.31 -1.89 0.02 0.00 0.11 0.00 0.00 30.24 28.79 1cni n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cni n ALA 54 N -0.66 1.97 -3.74 -1.58 0.00 -0.88 -4.59 120.51 111.04 1cni n ALA 54 Ca 0.28 0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.66 1cni n ALA 54 Cb 1.00 -2.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.92 1cni n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cni s THR 55 N -1.20 0.98 0.41 0.00 2.01 -1.26 -4.94 115.64 111.65 1cni s THR 55 Ca 0.62 -1.54 -0.22 0.00 0.31 0.00 0.00 61.69 60.86 1cni s THR 55 Cb -0.45 -1.74 -0.10 0.00 0.01 0.00 0.00 72.50 70.22 1cni s THR 55 CO 0.57 -0.69 0.98 -0.94 -0.69 0.00 0.00 174.62 173.85 1cni s SER 56 N 1.48 6.88 0.01 3.53 1.04 -1.26 -1.14 113.70 124.25 1cni s SER 56 Ca 0.11 1.82 -0.04 0.00 0.48 0.00 0.00 55.95 58.32 1cni s SER 56 Cb -0.18 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.36 1cni s SER 56 CO -0.22 -0.40 -0.08 0.18 0.98 0.00 0.00 173.24 173.70 1cni n LEU 57 N -0.35 1.11 -3.79 2.42 4.77 0.16 -4.12 117.00 117.20 1cni n LEU 57 Ca 0.06 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1cni n LEU 57 Cb 0.52 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1cni n LEU 57 CO 0.40 -0.47 0.25 0.00 -1.33 0.00 0.00 177.39 176.24 1cni s ARG 58 N -2.19 1.39 -0.00 3.23 1.04 -1.23 -0.48 118.95 120.72 1cni s ARG 58 Ca -0.07 -0.94 0.07 0.00 -1.04 0.00 0.00 55.73 53.75 1cni s ARG 58 Cb 0.01 0.51 -0.03 0.00 -2.04 0.00 0.00 34.95 33.41 1cni s ARG 58 CO 0.10 -0.59 -0.20 -1.50 -0.04 0.00 0.00 175.30 173.07 1cni s ILE 59 N -3.90 2.57 -0.04 4.99 2.07 -0.34 -0.46 121.20 126.09 1cni s ILE 59 Ca 0.11 -1.06 -0.04 0.00 -1.41 0.00 0.00 60.65 58.25 1cni s ILE 59 Cb -0.01 -2.00 0.01 0.00 0.13 0.00 0.00 42.46 40.59 1cni s ILE 59 CO -0.01 0.48 0.11 -0.22 -1.91 0.00 0.00 174.94 173.39 1cni s LEU 60 N -0.99 1.52 -0.34 8.50 2.96 0.07 -1.17 118.68 129.24 1cni s LEU 60 Ca 0.12 0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 54.09 1cni s LEU 60 Cb -0.10 0.35 -0.01 0.00 0.50 0.00 0.00 46.19 46.93 1cni s LEU 60 CO 0.02 -0.05 0.39 0.21 -1.32 0.00 0.00 176.35 175.60 1cni s ASN 61 N 0.16 6.21 -0.05 3.68 3.84 -0.34 -0.04 114.94 128.39 1cni s ASN 61 Ca -0.01 -0.18 0.19 0.00 0.21 0.00 0.00 52.86 53.07 1cni s ASN 61 Cb -0.02 -2.21 0.62 0.00 -0.55 0.00 0.00 41.25 39.09 1cni s ASN 61 CO -0.00 -0.36 1.53 -0.46 -2.79 0.00 0.00 177.10 175.02 1cni n ASN 62 N 5.44 4.11 0.00 -4.21 0.23 -0.71 -0.64 115.26 119.48 1cni n ASN 62 Ca -0.08 -2.20 0.00 0.00 -0.53 0.00 0.00 54.58 51.76 1cni n ASN 62 Cb 0.49 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1cni n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cni n GLY 63 N 1.21 2.75 0.00 4.83 0.00 -1.26 -4.76 105.19 107.95 1cni n GLY 63 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1cni n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cni n HIS 64 N -2.00 0.00 -3.87 1.61 1.44 -1.26 -4.71 115.22 106.43 1cni n HIS 64 Ca 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1cni n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1cni n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1cni n ALA 65 N -0.67 -2.27 -2.63 1.59 0.00 -1.26 -4.87 120.51 110.40 1cni n ALA 65 Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.46 1cni n ALA 65 Cb 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 1cni n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1cni s PHE 66 N -2.76 2.62 -0.15 0.00 -0.12 -1.26 -1.73 117.98 114.59 1cni s PHE 66 Ca 0.19 -0.40 -0.03 0.00 -0.05 0.00 0.00 56.93 56.64 1cni s PHE 66 Cb -0.01 -1.65 -0.02 0.00 -0.63 0.00 0.00 43.02 40.70 1cni s PHE 66 CO 0.02 0.00 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.33 1cni s ASN 67 N -0.39 4.63 -0.34 1.98 0.02 0.94 -4.36 114.94 117.42 1cni s ASN 67 Ca 0.04 -0.17 -0.11 0.00 -1.02 0.00 0.00 52.86 51.60 1cni s ASN 67 Cb -0.12 -1.74 -0.00 0.00 0.02 0.00 0.00 41.25 39.41 1cni s ASN 67 CO 0.02 0.17 0.20 -0.69 0.02 0.00 0.00 177.10 176.83 1cni s VAL 68 N 0.33 4.89 0.07 1.60 1.01 -0.57 -0.75 120.40 126.97 1cni s VAL 68 Ca -0.05 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1cni s VAL 68 Cb -0.14 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1cni s VAL 68 CO 0.04 -0.03 0.34 -1.61 0.00 0.00 0.00 175.10 173.83 1cni s GLU 69 N 1.65 3.64 0.24 2.72 2.02 0.39 -1.87 118.70 127.49 1cni s GLU 69 Ca 0.05 -0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.12 1cni s GLU 69 Cb -0.18 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 1cni s GLU 69 CO 0.08 0.57 -0.18 -0.06 0.02 0.00 0.00 175.26 175.69 1cni s PHE 70 N -1.44 2.05 -0.38 1.61 0.40 -0.37 -0.67 117.98 119.17 1cni s PHE 70 Ca 0.33 -0.43 -0.28 0.00 -0.60 0.00 0.00 56.93 55.95 1cni s PHE 70 Cb -0.13 -0.92 0.02 0.00 0.51 0.00 0.00 43.02 42.50 1cni s PHE 70 CO 0.20 0.56 1.06 0.34 0.70 0.00 0.00 175.22 178.07 1cni s ASP 71 N -3.37 6.79 -0.31 1.36 2.15 -0.30 -4.86 116.67 118.13 1cni s ASP 71 Ca 0.26 0.77 0.08 0.00 0.43 0.00 0.00 52.55 54.09 1cni s ASP 71 Cb -0.03 -2.53 0.50 0.00 -0.30 0.00 0.00 42.92 40.56 1cni s ASP 71 CO 0.11 -0.99 1.47 -0.90 -0.17 0.00 0.00 175.17 174.69 1cni n ASP 72 N 7.14 2.91 -0.21 -0.34 5.75 -1.26 -4.66 116.55 125.87 1cni n ASP 72 Ca 0.11 -3.80 0.15 0.00 -0.01 0.00 0.00 54.79 51.24 1cni n ASP 72 Cb 0.48 -0.63 0.72 0.00 -1.03 0.00 0.00 41.12 40.66 1cni n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1cni n SER 73 N -1.08 0.67 -3.60 -1.12 3.41 -1.26 -4.87 113.62 105.76 1cni n SER 73 Ca 0.36 -1.11 -0.11 0.00 -0.26 0.00 0.00 58.87 57.75 1cni n SER 73 Cb 1.01 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.91 1cni n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cni s GLN 74 N -2.09 1.24 -0.73 4.33 -0.21 -1.26 -5.06 119.66 115.88 1cni s GLN 74 Ca 0.41 -0.68 -0.20 0.00 0.02 0.00 0.00 55.36 54.91 1cni s GLN 74 Cb 0.21 0.53 -0.15 0.00 1.00 0.00 0.00 33.01 34.59 1cni s GLN 74 CO 0.38 -0.52 1.91 -0.25 -2.12 0.00 0.00 175.29 174.69 1cni n ASP 75 N -0.31 2.71 -0.07 5.90 9.92 -1.26 -4.56 116.55 128.87 1cni n ASP 75 Ca -0.14 -2.61 -0.20 0.00 -0.53 0.00 0.00 54.79 51.31 1cni n ASP 75 Cb 0.64 -1.06 -0.12 0.00 -0.64 0.00 0.00 41.12 39.93 1cni n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1cni h LYS 76 N 7.80 0.06 -4.24 -1.24 1.57 -1.87 -3.44 116.57 115.20 1cni h LYS 76 Ca 0.42 -0.10 -0.60 0.00 -1.87 0.00 0.00 60.65 58.50 1cni h LYS 76 Cb 0.59 0.04 -0.38 0.00 0.08 0.00 0.00 32.23 32.55 1cni h LYS 76 CO 1.88 1.05 -0.78 0.00 -0.57 0.00 0.00 179.45 181.03 1cni s ALA 77 N -2.36 1.82 0.18 3.86 0.00 -1.26 -3.49 121.76 120.51 1cni s ALA 77 Ca -0.24 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.52 1cni s ALA 77 Cb 0.03 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 1cni s ALA 77 CO 0.66 -1.18 -0.11 0.14 0.00 0.00 0.00 175.76 175.27 1cni s VAL 78 N 1.46 1.38 -0.03 0.00 -7.23 -0.20 -1.23 120.40 114.55 1cni s VAL 78 Ca -0.05 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.05 1cni s VAL 78 Cb -0.19 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1cni s VAL 78 CO -0.06 -0.63 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.71 1cni s LEU 79 N -3.25 1.96 0.37 1.32 0.20 0.01 -0.94 118.68 118.35 1cni s LEU 79 Ca 0.20 -0.31 -0.15 0.00 0.69 0.00 0.00 54.13 54.57 1cni s LEU 79 Cb 0.02 -0.88 0.04 0.00 -0.43 0.00 0.00 46.19 44.94 1cni s LEU 79 CO 0.04 0.17 0.74 -1.59 -0.29 0.00 0.00 176.35 175.42 1cni s LYS 80 N -0.14 2.14 2.44 1.98 -2.85 -0.43 -1.47 119.74 121.40 1cni s LYS 80 Ca 0.01 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.55 1cni s LYS 80 Cb -0.09 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 1cni s LYS 80 CO 0.01 -0.98 0.00 0.41 0.10 0.00 0.00 175.35 174.88 1cni n GLY 81 N -0.52 -0.84 7.00 0.59 0.00 -1.26 -0.57 105.19 109.58 1cni n GLY 81 Ca -0.07 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1cni n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cni n GLY 82 N 0.00 2.88 0.47 -0.02 0.00 -0.48 -0.81 105.19 107.24 1cni n GLY 82 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.88 1cni n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cni n PRO 83 N 14.00 1.62 -3.24 1.61 -0.04 -1.26 -3.77 135.00 143.92 1cni n PRO 83 Ca 0.00 -0.94 -0.31 0.00 -0.04 0.00 0.00 63.50 62.22 1cni n PRO 83 Cb 0.00 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 1cni n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cni s LEU 84 N -1.46 4.05 -0.18 1.53 1.43 0.01 -5.08 118.68 118.99 1cni s LEU 84 Ca 0.29 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 1cni s LEU 84 Cb 0.15 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.62 1cni s LEU 84 CO 0.23 -0.19 -0.19 -1.81 0.23 0.00 0.00 176.35 174.62 1cni s ASP 85 N -2.72 3.14 0.00 2.29 1.01 -1.26 -4.36 116.67 114.77 1cni s ASP 85 Ca 0.48 -0.66 0.00 0.00 0.71 0.00 0.00 52.55 53.08 1cni s ASP 85 Cb -0.11 -1.45 0.00 0.00 1.01 0.00 0.00 42.92 42.37 1cni s ASP 85 CO 0.25 -0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.23 1cni n GLY 86 N 4.63 -3.78 3.75 0.21 0.00 -1.26 -4.96 105.19 103.77 1cni n GLY 86 Ca -0.20 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 1cni n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cni s THR 87 N -0.89 4.86 -0.10 2.61 2.01 -1.26 -4.57 115.64 118.30 1cni s THR 87 Ca 0.00 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1cni s THR 87 Cb 0.00 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1cni s THR 87 CO 0.00 0.59 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.97 1cni s TYR 88 N -0.71 2.58 -0.06 4.92 1.51 -0.54 -1.77 117.35 123.27 1cni s TYR 88 Ca 0.12 -1.05 -0.14 0.00 -1.01 0.00 0.00 57.07 54.98 1cni s TYR 88 Cb -0.12 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.96 1cni s TYR 88 CO 0.03 -0.42 0.37 1.03 -1.11 0.00 0.00 175.55 175.44 1cni s ARG 89 N 0.37 4.02 -0.00 -0.62 0.52 -0.19 -0.80 118.95 122.24 1cni s ARG 89 Ca -0.18 0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 1cni s ARG 89 Cb -0.18 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 31.94 1cni s ARG 89 CO 0.08 0.52 1.36 -1.17 0.02 0.00 0.00 175.30 176.11 1cni s LEU 90 N -0.47 4.31 -0.12 2.53 2.96 -0.37 -1.64 118.68 125.88 1cni s LEU 90 Ca 0.22 2.06 0.05 0.00 -0.22 0.00 0.00 54.13 56.24 1cni s LEU 90 Cb -0.15 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 1cni s LEU 90 CO 0.10 -0.69 -0.05 0.00 -1.32 0.00 0.00 176.35 174.40 1cni n ILE 91 N 4.61 0.76 -3.68 6.68 3.06 -0.16 -4.56 119.36 126.07 1cni n ILE 91 Ca 0.13 -0.38 -0.00 0.00 -2.50 0.00 0.00 62.75 60.00 1cni n ILE 91 Cb 0.44 -0.86 -0.01 0.00 0.54 0.00 0.00 39.64 39.76 1cni n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cni s ALA 92 N -2.27 -2.03 0.03 1.51 0.00 -1.21 -1.24 121.76 116.54 1cni s ALA 92 Ca -0.12 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 1cni s ALA 92 Cb 0.04 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 1cni s ALA 92 CO 0.38 -1.06 0.11 -0.59 0.00 0.00 0.00 175.76 174.60 1cni s PHE 93 N -2.69 0.15 0.30 0.00 -0.12 -0.78 -0.86 117.98 113.97 1cni s PHE 93 Ca 0.14 -0.38 -0.10 0.00 -0.05 0.00 0.00 56.93 56.54 1cni s PHE 93 Cb 0.02 -0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.31 1cni s PHE 93 CO -0.01 -0.34 0.52 -3.38 -0.05 0.00 0.00 175.22 171.96 1cni s HIS 94 N -2.18 0.57 0.25 3.49 -3.43 -0.79 -1.51 115.29 111.69 1cni s HIS 94 Ca -0.08 -0.94 0.05 0.00 -0.80 0.00 0.00 55.06 53.29 1cni s HIS 94 Cb -0.04 0.19 -0.05 0.00 -1.43 0.00 0.00 32.58 31.25 1cni s HIS 94 CO -0.03 -1.13 -0.03 -0.06 -2.00 0.00 0.00 174.74 171.49 1cni s PHE 95 N -3.43 1.73 -0.04 0.38 0.40 -1.26 -0.56 117.98 115.21 1cni s PHE 95 Ca 0.24 -0.81 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1cni s PHE 95 Cb -0.01 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.53 1cni s PHE 95 CO 0.13 0.12 -0.11 -1.01 0.70 0.00 0.00 175.22 175.05 1cni s HIS 96 N -3.22 1.16 0.20 0.36 3.76 -0.47 -4.78 115.29 112.29 1cni s HIS 96 Ca 0.28 -0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 54.82 1cni s HIS 96 Cb 0.05 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 1cni s HIS 96 CO 0.10 -0.15 0.22 1.67 -0.85 0.00 0.00 174.74 175.74 1cni s TRP 97 N 0.29 0.82 0.53 1.40 -2.14 -1.22 -1.35 118.94 117.27 1cni s TRP 97 Ca -0.06 -1.12 0.06 0.00 2.66 0.00 0.00 56.10 57.64 1cni s TRP 97 Cb -0.11 -0.30 0.03 0.00 -3.10 0.00 0.00 33.47 30.00 1cni s TRP 97 CO 0.01 -0.72 0.41 0.20 -2.66 0.00 0.00 176.95 174.19 1cni s GLY 98 N -3.08 2.33 0.20 3.67 0.00 -1.17 -1.20 107.32 108.07 1cni s GLY 98 Ca 0.30 -1.37 0.25 0.00 0.00 0.00 0.00 44.72 43.90 1cni s GLY 98 CO 0.08 -1.91 1.55 1.48 0.00 0.00 0.00 173.10 174.30 1cni h SER 99 N 0.78 0.00 -5.21 1.64 4.64 -1.89 -3.39 113.55 110.11 1cni h SER 99 Ca -0.37 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 60.75 1cni h SER 99 Cb 1.30 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.23 1cni h SER 99 CO 0.57 0.04 -0.68 -0.76 -0.87 0.00 0.00 176.83 175.13 1cni s LEU 100 N -4.64 2.44 0.62 5.97 1.43 -1.26 -5.05 118.68 118.19 1cni s LEU 100 Ca 0.08 -0.94 0.39 0.00 -1.03 0.00 0.00 54.13 52.62 1cni s LEU 100 Cb 0.12 0.21 2.09 0.00 0.03 0.00 0.00 46.19 48.64 1cni s LEU 100 CO 0.66 -0.57 2.28 0.44 0.23 0.00 0.00 176.35 179.39 1cni h ASP 101 N 3.29 0.00 -0.03 2.29 3.32 -1.92 -2.90 116.42 120.47 1cni h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1cni h ASP 101 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1cni h ASP 101 CO 0.63 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.78 1cni n GLY 102 N -0.97 -0.68 3.37 2.75 0.00 -1.26 -3.50 105.19 104.89 1cni n GLY 102 Ca -0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 1cni n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cni s GLN 103 N -1.96 1.15 0.00 1.61 -2.07 -1.10 -4.69 119.66 112.61 1cni s GLN 103 Ca 0.32 -0.79 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 1cni s GLN 103 Cb 0.15 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 1cni s GLN 103 CO 0.25 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.17 1cni n GLY 104 N -0.25 2.64 3.82 2.60 0.00 -1.01 -3.07 105.19 109.91 1cni n GLY 104 Ca -0.14 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1cni n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cni s SER 105 N 0.00 5.47 -0.25 1.61 1.04 -0.66 -3.43 113.70 117.48 1cni s SER 105 Ca 0.00 1.65 -0.17 0.00 0.48 0.00 0.00 55.95 57.91 1cni s SER 105 Cb 0.00 -2.50 -0.14 0.00 0.10 0.00 0.00 66.02 63.48 1cni s SER 105 CO 0.00 -1.38 -0.15 -0.62 0.98 0.00 0.00 173.24 172.07 1cni n GLU 106 N -2.92 0.58 -2.78 4.02 1.02 -1.26 -4.83 120.64 114.46 1cni n GLU 106 Ca 0.08 0.38 -0.33 0.00 -0.02 0.00 0.00 57.16 57.27 1cni n GLU 106 Cb 0.53 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 1cni n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1cni s HIS 107 N -2.46 3.31 0.15 -0.32 3.76 -1.26 -4.45 115.29 114.02 1cni s HIS 107 Ca -0.35 1.60 0.07 0.00 -0.15 0.00 0.00 55.06 56.24 1cni s HIS 107 Cb 0.11 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 1cni s HIS 107 CO 0.52 -0.15 -0.16 0.95 -0.85 0.00 0.00 174.74 175.05 1cni s THR 108 N -2.21 1.64 -0.26 1.30 -4.23 -1.21 -4.71 115.64 105.96 1cni s THR 108 Ca 0.62 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1cni s THR 108 Cb -0.09 -1.75 0.06 0.00 1.34 0.00 0.00 72.50 72.06 1cni s THR 108 CO 0.14 -0.37 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.07 1cni s VAL 109 N -2.14 2.33 -1.43 2.29 1.01 -0.84 -0.35 120.40 121.27 1cni s VAL 109 Ca 0.14 -1.54 -0.09 0.00 0.00 0.00 0.00 61.98 60.48 1cni s VAL 109 Cb -0.05 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 34.03 1cni s VAL 109 CO 0.05 -0.01 1.00 0.47 0.00 0.00 0.00 175.10 176.61 1cni n ASP 110 N 4.48 -4.48 0.00 3.32 8.00 0.36 -1.03 116.55 127.21 1cni n ASP 110 Ca -0.14 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1cni n ASP 110 Cb 0.43 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 1cni n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cni n LYS 111 N -4.68 0.00 -2.56 -1.24 4.76 -1.26 -4.99 118.16 108.19 1cni n LYS 111 Ca -0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.98 1cni n LYS 111 Cb 0.57 -2.91 -0.03 0.00 -1.84 0.00 0.00 35.03 30.81 1cni n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1cni s LYS 112 N -0.23 4.51 -0.04 1.97 2.20 -0.20 -4.99 119.74 122.97 1cni s LYS 112 Ca 0.00 1.61 -0.03 0.00 -0.36 0.00 0.00 55.97 57.19 1cni s LYS 112 Cb 0.00 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1cni s LYS 112 CO 0.00 -0.12 0.15 0.15 -0.36 0.00 0.00 175.35 175.17 1cni s LYS 113 N 0.84 3.35 0.41 4.03 1.02 -1.26 -1.99 119.74 126.14 1cni s LYS 113 Ca 0.55 -0.31 0.08 0.00 0.02 0.00 0.00 55.97 56.30 1cni s LYS 113 Cb -0.26 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1cni s LYS 113 CO 0.29 0.69 0.44 0.71 -0.92 0.00 0.00 175.35 176.56 1cni s TYR 114 N -1.22 2.76 0.39 3.18 1.51 -1.26 -4.75 117.35 117.97 1cni s TYR 114 Ca 0.23 -0.45 0.14 0.00 -1.01 0.00 0.00 57.07 55.99 1cni s TYR 114 Cb -0.12 -2.22 0.85 0.00 -0.11 0.00 0.00 41.96 40.36 1cni s TYR 114 CO 0.14 -0.20 1.89 0.00 -1.11 0.00 0.00 175.55 176.27 1cni h ALA 115 N 0.91 1.47 -2.62 3.71 0.00 -1.45 -1.68 119.26 119.61 1cni h ALA 115 Ca -0.41 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.35 1cni h ALA 115 Cb 1.27 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1cni h ALA 115 CO 0.53 0.37 0.43 0.00 0.00 0.00 0.00 179.25 180.59 1cni s ALA 116 N -4.32 -1.39 -0.12 0.00 0.00 -1.16 -3.19 121.76 111.58 1cni s ALA 116 Ca -0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1cni s ALA 116 Cb 0.15 0.71 0.05 0.00 0.00 0.00 0.00 23.12 24.03 1cni s ALA 116 CO 0.71 -1.04 0.27 -2.00 0.00 0.00 0.00 175.76 173.70 1cni s GLU 117 N -2.88 0.23 -0.13 0.00 2.12 -0.46 -1.57 118.70 116.01 1cni s GLU 117 Ca 0.15 0.58 -0.13 0.00 0.36 0.00 0.00 54.97 55.94 1cni s GLU 117 Cb -0.03 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.21 1cni s GLU 117 CO 0.06 -0.17 0.29 -1.17 -0.54 0.00 0.00 175.26 173.72 1cni s LEU 118 N 1.37 4.31 -0.21 2.70 2.96 0.45 -1.37 118.68 128.88 1cni s LEU 118 Ca -0.09 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1cni s LEU 118 Cb -0.10 -2.36 0.04 0.00 0.50 0.00 0.00 46.19 44.26 1cni s LEU 118 CO -0.09 0.19 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.97 1cni s HIS 119 N -0.03 2.91 -0.39 5.38 3.76 0.28 -1.11 115.29 126.08 1cni s HIS 119 Ca 0.17 -1.89 -0.14 0.00 -0.15 0.00 0.00 55.06 53.05 1cni s HIS 119 Cb -0.13 -1.88 0.01 0.00 1.11 0.00 0.00 32.58 31.69 1cni s HIS 119 CO 0.05 -0.83 0.28 -0.51 -0.85 0.00 0.00 174.74 172.89 1cni s LEU 120 N 1.24 4.96 -0.14 0.89 1.43 -0.47 -1.88 118.68 124.70 1cni s LEU 120 Ca -0.01 -0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 52.08 1cni s LEU 120 Cb -0.16 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1cni s LEU 120 CO -0.09 -0.41 0.47 -0.69 0.23 0.00 0.00 176.35 175.86 1cni s VAL 121 N 1.67 5.18 0.09 -1.59 1.01 -0.04 -1.41 120.40 125.30 1cni s VAL 121 Ca 0.05 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.00 1cni s VAL 121 Cb -0.19 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1cni s VAL 121 CO 0.10 0.30 -0.15 -1.00 0.00 0.00 0.00 175.10 174.34 1cni s HIS 122 N 0.86 1.35 0.06 5.22 3.76 -0.30 -0.99 115.29 125.24 1cni s HIS 122 Ca 0.25 -0.47 0.08 0.00 -0.15 0.00 0.00 55.06 54.77 1cni s HIS 122 Cb -0.15 -0.75 -0.03 0.00 1.11 0.00 0.00 32.58 32.76 1cni s HIS 122 CO 0.10 0.10 -0.23 1.67 -0.85 0.00 0.00 174.74 175.52 1cni s TRP 123 N -1.40 2.05 -0.21 1.40 1.48 -0.66 -1.50 118.94 120.11 1cni s TRP 123 Ca 0.01 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.37 1cni s TRP 123 Cb -0.09 -1.20 -0.04 0.00 -1.16 0.00 0.00 33.47 30.98 1cni s TRP 123 CO 0.03 0.14 1.79 1.21 -4.06 0.00 0.00 176.95 176.05 1cni s ASN 124 N -1.34 6.16 0.64 -2.66 3.84 0.48 -1.02 114.94 121.03 1cni s ASN 124 Ca 0.10 1.74 0.38 0.00 0.21 0.00 0.00 52.86 55.28 1cni s ASN 124 Cb -0.09 -2.53 2.12 0.00 -0.55 0.00 0.00 41.25 40.20 1cni s ASN 124 CO 0.02 -1.42 2.26 0.71 -2.79 0.00 0.00 177.10 175.88 1cni h THR 125 N 6.36 0.17 -0.05 -5.21 1.35 -1.69 -1.63 112.91 112.22 1cni h THR 125 Ca -0.37 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1cni h THR 125 Cb 1.18 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1cni h THR 125 CO 0.99 0.00 0.07 0.50 -0.25 0.00 0.00 175.52 176.83 1cni h LYS 127 N 0.00 0.00 -0.30 4.72 3.64 -1.90 -2.08 116.57 120.64 1cni h LYS 127 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1cni h LYS 127 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1cni h LYS 127 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1cni n TYR 128 N -3.65 0.39 0.00 1.91 4.01 -0.61 -4.99 117.16 114.22 1cni n TYR 128 Ca -0.02 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1cni n TYR 128 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1cni n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cni n GLY 129 N 1.29 1.55 3.39 2.72 0.00 -0.79 -4.53 105.19 108.84 1cni n GLY 129 Ca 0.17 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1cni n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cni s ASP 130 N 0.00 0.01 0.21 1.61 1.47 -1.26 -5.04 116.67 113.66 1cni s ASP 130 Ca 0.00 -0.93 -0.10 0.00 1.18 0.00 0.00 52.55 52.70 1cni s ASP 130 Cb 0.00 0.47 0.23 0.00 -0.34 0.00 0.00 42.92 43.28 1cni s ASP 130 CO 0.00 -0.96 1.80 0.15 0.68 0.00 0.00 175.17 176.84 1cni h PHE 131 N 2.47 0.63 -0.87 2.11 3.57 -1.94 -2.06 116.94 120.85 1cni h PHE 131 Ca -0.31 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.32 1cni h PHE 131 Cb 1.24 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 1cni h PHE 131 CO 0.39 0.29 0.56 0.78 -2.23 0.00 0.00 178.31 178.10 1cni h GLY 132 N 0.64 1.22 1.63 2.40 0.00 -1.97 -1.85 103.07 105.14 1cni h GLY 132 Ca 0.29 -0.34 -0.24 0.00 0.00 0.00 0.00 47.33 47.03 1cni h GLY 132 CO -0.19 0.19 -1.26 0.50 0.00 0.00 0.00 176.54 175.78 1cni h LYS 133 N 0.83 0.01 -0.37 4.80 1.57 -1.76 -3.30 116.57 118.35 1cni h LYS 133 Ca 0.40 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1cni h LYS 133 Cb 0.44 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1cni h LYS 133 CO -0.17 0.83 0.22 0.00 -0.57 0.00 0.00 179.45 179.76 1cni h ALA 134 N 0.98 1.69 0.00 3.86 0.00 -0.64 -1.52 119.26 123.62 1cni h ALA 134 Ca -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1cni h ALA 134 Cb 1.86 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1cni h ALA 134 CO 0.11 0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.97 1cni n VAL 135 N -4.45 0.00 0.23 0.00 0.24 -0.88 -2.12 118.33 111.35 1cni n VAL 135 Ca 0.02 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.38 1cni n VAL 135 Cb 0.08 -0.11 0.08 0.00 -1.47 0.00 0.00 33.84 32.43 1cni n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cni n GLN 136 N -0.47 1.27 -4.77 7.34 6.02 -0.57 -4.93 117.38 121.27 1cni n GLN 136 Ca 0.00 -1.43 -0.30 0.00 -0.01 0.00 0.00 57.00 55.27 1cni n GLN 136 Cb 0.01 -1.22 -0.14 0.00 1.02 0.00 0.00 30.24 29.91 1cni n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1cni s GLN 137 N -0.92 1.72 0.60 -1.09 -1.52 -0.90 -5.03 119.66 112.53 1cni s GLN 137 Ca 0.15 -1.16 0.38 0.00 -1.95 0.00 0.00 55.36 52.79 1cni s GLN 137 Cb 0.10 -1.97 1.85 0.00 -0.22 0.00 0.00 33.01 32.76 1cni s GLN 137 CO 0.14 0.50 2.16 -1.00 -0.25 0.00 0.00 175.29 176.84 1cni h PRO 138 N 4.56 0.00 -0.12 2.91 0.13 -1.86 -2.20 132.00 135.42 1cni h PRO 138 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1cni h PRO 138 Cb 1.15 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 1cni h PRO 138 CO 0.43 0.01 -0.60 -0.40 -0.23 0.00 0.00 178.00 177.20 1cni n ASP 139 N -3.11 2.16 0.10 1.44 5.75 -1.26 -4.35 116.55 117.28 1cni n ASP 139 Ca -0.01 -3.71 -0.04 0.00 -0.01 0.00 0.00 54.79 51.02 1cni n ASP 139 Cb 0.20 -0.48 0.08 0.00 -1.03 0.00 0.00 41.12 39.89 1cni n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cni h GLY 140 N 1.21 0.10 -3.30 6.12 0.00 -1.27 -3.43 103.07 102.50 1cni h GLY 140 Ca 0.04 -0.15 -0.50 0.00 0.00 0.00 0.00 47.33 46.73 1cni h GLY 140 CO 0.13 0.13 -0.77 1.08 0.00 0.00 0.00 176.54 177.10 1cni s LEU 141 N -7.51 2.44 -0.06 3.11 1.43 -0.31 -0.39 118.68 117.39 1cni s LEU 141 Ca -0.02 -0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 52.21 1cni s LEU 141 Cb 0.12 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.60 1cni s LEU 141 CO 0.79 -0.07 -0.02 0.00 0.23 0.00 0.00 176.35 177.29 1cni s ALA 142 N -2.13 0.70 -0.14 4.21 0.00 -0.56 -1.17 121.76 122.68 1cni s ALA 142 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.02 1cni s ALA 142 Cb -0.05 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.44 1cni s ALA 142 CO 0.06 -0.31 -0.22 0.08 0.00 0.00 0.00 175.76 175.38 1cni s VAL 143 N 1.60 2.02 -0.27 0.00 1.01 -0.98 -1.16 120.40 122.63 1cni s VAL 143 Ca -0.01 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 1cni s VAL 143 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1cni s VAL 143 CO -0.04 0.54 0.56 -0.22 0.00 0.00 0.00 175.10 175.94 1cni s LEU 144 N 0.79 4.08 -0.16 3.92 0.20 -0.50 -1.81 118.68 125.20 1cni s LEU 144 Ca -0.08 0.54 -0.05 0.00 0.69 0.00 0.00 54.13 55.23 1cni s LEU 144 Cb -0.16 -2.73 -0.03 0.00 -0.43 0.00 0.00 46.19 42.84 1cni s LEU 144 CO -0.01 -0.34 0.00 -0.83 -0.29 0.00 0.00 176.35 174.88 1cni s GLY 145 N 1.55 1.80 -0.08 7.98 0.00 0.22 -1.36 107.32 117.43 1cni s GLY 145 Ca 0.23 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1cni s GLY 145 CO 0.09 -0.07 -0.13 -0.42 0.00 0.00 0.00 173.10 172.57 1cni s ILE 146 N 0.23 1.24 0.33 0.90 1.01 -0.27 -1.59 121.20 123.05 1cni s ILE 146 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 1cni s ILE 146 Cb -0.13 -1.13 -0.10 0.00 0.01 0.00 0.00 42.46 41.11 1cni s ILE 146 CO 0.02 0.38 0.84 -0.36 0.00 0.00 0.00 174.94 175.82 1cni s PHE 147 N 0.76 3.49 -0.11 3.97 0.08 -1.26 -0.41 117.98 124.50 1cni s PHE 147 Ca -0.12 1.49 0.04 0.00 0.12 0.00 0.00 56.93 58.45 1cni s PHE 147 Cb -0.16 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 1cni s PHE 147 CO 0.03 0.12 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.52 1cni s LEU 148 N -2.60 2.09 0.13 -0.37 1.02 -0.61 -0.95 118.68 117.40 1cni s LEU 148 Ca 0.53 -0.57 0.11 0.00 0.02 0.00 0.00 54.13 54.22 1cni s LEU 148 Cb -0.13 -1.41 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 1cni s LEU 148 CO 0.18 0.14 -0.26 -1.59 0.02 0.00 0.00 176.35 174.84 1cni s LYS 149 N 0.46 1.38 -0.12 1.70 -2.85 -0.04 -2.05 119.74 118.22 1cni s LYS 149 Ca -0.16 -1.35 -0.29 0.00 -1.00 0.00 0.00 55.97 53.17 1cni s LYS 149 Cb -0.17 -1.85 -0.01 0.00 -2.06 0.00 0.00 37.83 33.74 1cni s LYS 149 CO 0.06 0.43 1.01 0.08 0.10 0.00 0.00 175.35 177.04 1cni s VAL 150 N -1.12 4.77 0.00 1.79 1.01 -1.26 -1.00 120.40 124.59 1cni s VAL 150 Ca 0.14 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.16 1cni s VAL 150 Cb -0.10 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1cni s VAL 150 CO 0.06 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1cni n GLY 151 N 3.12 0.67 3.83 4.51 0.00 0.57 -4.88 105.19 113.02 1cni n GLY 151 Ca 0.09 0.46 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 1cni n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cni s SER 152 N 2.00 6.77 0.55 1.61 0.01 -1.26 -4.00 113.70 119.38 1cni s SER 152 Ca 0.00 1.58 -0.20 0.00 1.31 0.00 0.00 55.95 58.64 1cni s SER 152 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1cni s SER 152 CO 0.00 -0.45 1.20 0.00 0.41 0.00 0.00 173.24 174.41 1cni s ALA 153 N -2.36 2.71 -0.43 1.44 0.00 -1.26 -2.41 121.76 119.45 1cni s ALA 153 Ca 0.60 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 1cni s ALA 153 Cb -0.10 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1cni s ALA 153 CO 0.22 -1.00 0.30 0.21 0.00 0.00 0.00 175.76 175.49 1cni s LYS 154 N -3.12 2.80 0.19 0.00 2.47 -1.24 -4.81 119.74 116.03 1cni s LYS 154 Ca 0.73 -1.32 -0.13 0.00 -1.56 0.00 0.00 55.97 53.69 1cni s LYS 154 Cb -0.30 -3.90 0.21 0.00 -1.46 0.00 0.00 37.83 32.38 1cni s LYS 154 CO 0.34 -0.92 1.70 -1.35 0.16 0.00 0.00 175.35 175.28 1cni h PRO 155 N 8.55 0.17 0.00 4.03 0.11 -1.92 -1.54 132.00 141.40 1cni h PRO 155 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1cni h PRO 155 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1cni h PRO 155 CO 0.78 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 1cni n GLY 156 N -1.31 -0.23 0.00 -0.55 0.00 -1.26 -1.76 105.19 100.08 1cni n GLY 156 Ca 0.06 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1cni n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cni n LEU 157 N -1.06 0.37 -0.12 0.99 7.94 -0.58 -4.63 117.00 119.91 1cni n LEU 157 Ca 0.04 -0.28 0.06 0.00 -1.11 0.00 0.00 56.01 54.71 1cni n LEU 157 Cb 0.02 0.00 0.38 0.00 0.53 0.00 0.00 43.42 44.35 1cni n LEU 157 CO 0.03 0.09 1.20 -0.61 -1.11 0.00 0.00 177.39 177.00 1cni h GLN 158 N 0.00 0.67 -0.57 1.96 5.75 -1.38 -1.49 115.11 120.05 1cni h GLN 158 Ca 0.00 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1cni h GLN 158 Cb 0.47 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 1cni h GLN 158 CO 0.00 0.45 0.34 -0.22 -2.65 0.00 0.00 178.83 176.74 1cni h LYS 159 N 0.69 0.77 -0.02 1.69 3.64 -1.82 0.11 116.57 121.63 1cni h LYS 159 Ca 0.26 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1cni h LYS 159 Cb 0.15 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1cni h LYS 159 CO -0.07 0.54 -0.16 0.28 -2.27 0.00 0.00 179.45 177.77 1cni h VAL 160 N 0.78 1.51 -0.75 2.00 2.07 -1.62 -3.20 116.25 117.04 1cni h VAL 160 Ca 0.21 -1.72 0.12 0.00 0.82 0.00 0.00 66.70 66.12 1cni h VAL 160 Cb -0.03 2.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.23 1cni h VAL 160 CO -0.04 0.47 0.36 0.58 0.02 0.00 0.00 177.57 178.96 1cni h VAL 161 N -0.47 0.77 0.00 2.57 2.07 -0.69 -2.56 116.25 117.94 1cni h VAL 161 Ca -0.01 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1cni h VAL 161 Cb 0.85 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1cni h VAL 161 CO 0.03 0.10 -0.32 0.44 0.02 0.00 0.00 177.57 177.85 1cni h ASP 162 N 0.56 0.00 0.81 0.57 3.32 -0.85 -3.00 116.42 117.83 1cni h ASP 162 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1cni h ASP 162 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1cni h ASP 162 CO -0.33 0.32 -0.30 0.55 -1.72 0.00 0.00 179.24 177.75 1cni n VAL 163 N -4.13 0.10 -0.09 -1.35 3.14 -0.97 -4.18 118.33 110.84 1cni n VAL 163 Ca -0.02 -0.06 0.17 0.00 -2.96 0.00 0.00 64.34 61.46 1cni n VAL 163 Cb 0.36 -0.14 0.57 0.00 -1.06 0.00 0.00 33.84 33.58 1cni n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1cni h LEU 164 N 0.00 0.24 -1.47 6.55 3.38 -1.45 -1.86 115.31 120.69 1cni h LEU 164 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1cni h LEU 164 Cb 0.56 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1cni h LEU 164 CO 0.00 0.13 0.40 0.44 0.09 0.00 0.00 178.44 179.50 1cni h ASP 165 N 0.26 0.59 0.99 -0.43 3.32 -1.80 -2.12 116.42 117.22 1cni h ASP 165 Ca 0.31 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1cni h ASP 165 Cb 0.86 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1cni h ASP 165 CO -0.07 0.40 0.00 -1.54 -1.72 0.00 0.00 179.24 176.31 1cni n SER 166 N -4.47 0.17 -1.85 6.45 3.41 -0.70 -3.50 113.62 113.14 1cni n SER 166 Ca 0.07 0.52 -0.10 0.00 -0.26 0.00 0.00 58.87 59.10 1cni n SER 166 Cb 0.15 -0.57 0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1cni n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1cni n ILE 167 N -1.67 1.97 -0.32 -1.33 -5.35 -0.81 -4.71 119.36 107.14 1cni n ILE 167 Ca 0.06 -3.45 0.07 0.00 -0.27 0.00 0.00 62.75 59.16 1cni n ILE 167 Cb 0.32 -0.24 0.27 0.00 -1.74 0.00 0.00 39.64 38.25 1cni n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1cni h LYS 168 N 1.92 0.91 -6.17 6.28 3.64 -1.55 -3.42 116.57 118.18 1cni h LYS 168 Ca 0.13 -0.05 -0.53 0.00 -1.27 0.00 0.00 60.65 58.92 1cni h LYS 168 Cb 1.40 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 1cni h LYS 168 CO 0.42 0.60 -0.57 0.95 -2.27 0.00 0.00 179.45 178.58 1cni s THR 169 N -5.88 3.61 0.16 1.00 -4.23 -1.26 -0.47 115.64 108.57 1cni s THR 169 Ca -0.11 -1.68 -0.33 0.00 -1.18 0.00 0.00 61.69 58.39 1cni s THR 169 Cb 0.21 -3.05 -0.13 0.00 1.34 0.00 0.00 72.50 70.87 1cni s THR 169 CO 0.80 -0.30 1.66 1.17 -0.54 0.00 0.00 174.62 177.41 1cni n LYS 170 N -1.08 2.42 0.00 3.99 4.81 -0.56 -2.42 118.16 125.32 1cni n LYS 170 Ca -0.06 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1cni n LYS 170 Cb 0.59 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1cni n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cni n GLY 171 N 3.72 3.36 3.79 3.14 0.00 0.19 -4.54 105.19 114.84 1cni n GLY 171 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1cni n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cni s LYS 172 N -0.91 4.31 0.10 1.61 1.02 -1.02 -4.85 119.74 120.01 1cni s LYS 172 Ca 0.00 1.40 -0.06 0.00 0.02 0.00 0.00 55.97 57.34 1cni s LYS 172 Cb 0.00 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1cni s LYS 172 CO 0.00 0.01 0.14 -1.54 -0.92 0.00 0.00 175.35 173.04 1cni s SER 173 N -1.66 0.22 -0.02 2.83 1.04 -1.26 -1.20 113.70 113.65 1cni s SER 173 Ca 0.56 -0.88 -0.15 0.00 0.48 0.00 0.00 55.95 55.96 1cni s SER 173 Cb -0.19 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1cni s SER 173 CO 0.24 -0.74 0.31 0.00 0.98 0.00 0.00 173.24 174.04 1cni s ALA 174 N -3.93 -0.79 0.38 5.32 0.00 -0.31 -4.93 121.76 117.49 1cni s ALA 174 Ca 0.12 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.17 1cni s ALA 174 Cb 0.06 0.03 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 1cni s ALA 174 CO -0.06 -0.25 1.42 -0.51 0.00 0.00 0.00 175.76 176.36 1cni s ASP 175 N -1.22 6.39 -0.45 0.00 1.01 -1.26 -1.20 116.67 119.94 1cni s ASP 175 Ca -0.13 2.91 0.06 0.00 0.71 0.00 0.00 52.55 56.11 1cni s ASP 175 Cb -0.05 -2.66 0.21 0.00 1.01 0.00 0.00 42.92 41.43 1cni s ASP 175 CO 0.04 -0.83 0.61 0.33 0.21 0.00 0.00 175.17 175.54 1cni n PHE 176 N 0.43 -2.04 -3.46 4.23 7.35 0.37 -4.72 117.46 119.62 1cni n PHE 176 Ca 0.01 -2.55 -0.21 0.00 -0.76 0.00 0.00 57.45 53.94 1cni n PHE 176 Cb 0.41 0.70 -0.01 0.00 0.35 0.00 0.00 39.48 40.93 1cni n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cni s THR 177 N 0.06 4.49 -1.74 -2.13 -4.23 -1.25 -3.20 115.64 107.63 1cni s THR 177 Ca 0.33 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1cni s THR 177 Cb 0.11 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1cni s THR 177 CO -0.15 -0.30 0.00 0.59 -0.54 0.00 0.00 174.62 174.22 1cni n ASN 178 N -1.71 -5.56 -4.74 3.99 3.02 -1.26 -4.95 115.26 104.04 1cni n ASN 178 Ca -0.03 0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.21 1cni n ASN 178 Cb 0.57 -4.63 -0.06 0.00 -0.61 0.00 0.00 39.78 35.06 1cni n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1cni s PHE 179 N -2.93 3.58 -0.39 3.10 5.36 -1.26 -5.02 117.98 120.41 1cni s PHE 179 Ca 0.00 1.01 -0.12 0.00 -0.96 0.00 0.00 56.93 56.87 1cni s PHE 179 Cb 0.00 -2.58 0.03 0.00 -0.34 0.00 0.00 43.02 40.13 1cni s PHE 179 CO 0.00 0.24 0.23 0.34 -1.46 0.00 0.00 175.22 174.57 1cni s ASP 180 N 0.33 5.82 0.20 6.13 -1.08 -1.26 -4.46 116.67 122.35 1cni s ASP 180 Ca 0.28 -1.02 0.19 0.00 -0.52 0.00 0.00 52.55 51.49 1cni s ASP 180 Cb -0.16 -2.05 0.86 0.00 -1.46 0.00 0.00 42.92 40.11 1cni s ASP 180 CO 0.13 -0.42 1.59 -0.81 0.52 0.00 0.00 175.17 176.18 1cni n PRO 181 N 5.03 0.13 0.30 4.34 -0.04 -1.26 -2.37 135.00 141.13 1cni n PRO 181 Ca -0.12 0.44 0.17 0.00 -0.04 0.00 0.00 63.50 63.95 1cni n PRO 181 Cb 0.46 -1.79 0.94 0.00 -0.04 0.00 0.00 33.50 33.07 1cni n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cni h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.16 114.38 114.92 1cni h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cni h ARG 182 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1cni h ARG 182 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 1cni n GLY 183 N -1.02 -0.83 0.77 0.04 0.00 -1.00 -2.79 105.19 100.35 1cni n GLY 183 Ca -0.02 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1cni n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cni n LEU 184 N -1.24 2.64 -4.81 0.99 4.77 -0.44 -4.38 117.00 114.53 1cni n LEU 184 Ca 0.09 -1.14 -0.38 0.00 -0.03 0.00 0.00 56.01 54.56 1cni n LEU 184 Cb 0.13 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1cni n LEU 184 CO 0.13 0.50 0.29 -0.76 -1.33 0.00 0.00 177.39 176.22 1cni s LEU 185 N -1.44 4.50 1.09 2.23 1.43 -1.12 -4.95 118.68 120.42 1cni s LEU 185 Ca 0.23 1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 54.43 1cni s LEU 185 Cb 0.16 -3.01 0.24 0.00 0.03 0.00 0.00 46.19 43.61 1cni s LEU 185 CO 0.23 0.23 1.19 -2.16 0.23 0.00 0.00 176.35 176.07 1cni s PRO 186 N -1.28 -0.36 0.12 1.29 0.04 -1.26 -4.97 135.00 128.57 1cni s PRO 186 Ca 0.31 -0.16 -0.14 0.00 0.04 0.00 0.00 61.00 61.05 1cni s PRO 186 Cb -0.19 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1cni s PRO 186 CO 0.20 -3.12 1.48 1.49 0.04 0.00 0.00 177.00 177.08 1cni h GLU 187 N -2.16 0.75 -5.91 4.56 4.81 -1.91 -3.44 114.58 111.28 1cni h GLU 187 Ca -0.45 -0.34 -0.63 0.00 -0.13 0.00 0.00 59.36 57.81 1cni h GLU 187 Cb 1.28 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1cni h GLU 187 CO 0.38 0.96 -0.51 0.45 -0.73 0.00 0.00 179.01 179.56 1cni s SER 188 N -6.49 6.29 -0.17 1.04 0.15 -1.26 -5.02 113.70 108.24 1cni s SER 188 Ca -0.12 0.26 0.16 0.00 0.70 0.00 0.00 55.95 56.95 1cni s SER 188 Cb 0.10 -1.93 0.60 0.00 -1.71 0.00 0.00 66.02 63.07 1cni s SER 188 CO 0.83 0.19 1.50 0.18 1.20 0.00 0.00 173.24 177.14 1cni n LEU 189 N 0.45 4.32 -4.76 3.45 4.77 -1.26 -4.74 117.00 119.23 1cni n LEU 189 Ca -0.07 -2.85 -0.38 0.00 -0.03 0.00 0.00 56.01 52.68 1cni n LEU 189 Cb 0.51 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1cni n LEU 189 CO 0.50 0.68 0.95 -1.81 -1.33 0.00 0.00 177.39 176.37 1cni s ASP 190 N -1.49 5.70 0.25 -1.43 1.01 -1.26 -4.76 116.67 114.69 1cni s ASP 190 Ca 0.44 2.64 -0.14 0.00 0.71 0.00 0.00 52.55 56.21 1cni s ASP 190 Cb 0.34 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.64 1cni s ASP 190 CO 0.13 -1.27 0.51 -0.72 0.21 0.00 0.00 175.17 174.03 1cni s TYR 191 N -1.35 0.31 0.10 4.23 1.13 -1.26 -1.50 117.35 119.01 1cni s TYR 191 Ca 0.67 -0.68 0.09 0.00 -1.41 0.00 0.00 57.07 55.73 1cni s TYR 191 Cb -0.37 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1cni s TYR 191 CO 0.45 -1.03 -0.21 -1.58 -2.51 0.00 0.00 175.55 170.67 1cni s TRP 192 N -3.97 2.47 -0.00 -3.49 0.51 -0.13 -1.05 118.94 113.28 1cni s TRP 192 Ca 0.21 -0.30 -0.03 0.00 -2.12 0.00 0.00 56.10 53.86 1cni s TRP 192 Cb -0.01 -1.35 -0.00 0.00 -0.81 0.00 0.00 33.47 31.29 1cni s TRP 192 CO 0.09 0.33 0.05 -0.08 -0.51 0.00 0.00 176.95 176.83 1cni s THR 193 N -1.05 0.06 0.06 2.01 -1.32 0.24 -1.04 115.64 114.61 1cni s THR 193 Ca 0.16 -0.53 -0.26 0.00 -1.21 0.00 0.00 61.69 59.85 1cni s THR 193 Cb -0.10 -0.25 0.09 0.00 -1.51 0.00 0.00 72.50 70.72 1cni s THR 193 CO 0.08 -0.29 0.76 -0.72 -2.21 0.00 0.00 174.62 172.23 1cni s TYR 194 N -0.91 -0.44 -0.12 9.09 1.13 -1.09 -1.37 117.35 123.63 1cni s TYR 194 Ca -0.10 0.31 -0.23 0.00 -1.41 0.00 0.00 57.07 55.64 1cni s TYR 194 Cb -0.06 0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1cni s TYR 194 CO 0.00 -0.68 0.72 -1.25 -2.51 0.00 0.00 175.55 171.83 1cni s PRO 195 N -3.27 4.36 0.00 -3.49 0.04 -1.26 -1.22 135.00 130.15 1cni s PRO 195 Ca 0.02 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1cni s PRO 195 Cb -0.01 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1cni s PRO 195 CO -0.10 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1cni n GLY 196 N 3.33 4.94 3.29 0.56 0.00 0.99 -4.83 105.19 113.48 1cni n GLY 196 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 1cni n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cni s SER 197 N 1.27 1.70 0.54 1.61 1.04 -1.10 -2.13 113.70 116.63 1cni s SER 197 Ca 0.00 -1.75 -0.19 0.00 0.48 0.00 0.00 55.95 54.50 1cni s SER 197 Cb 0.00 0.55 -0.06 0.00 0.10 0.00 0.00 66.02 66.61 1cni s SER 197 CO 0.00 -1.05 1.08 -0.76 0.98 0.00 0.00 173.24 173.49 1cni s LEU 198 N -3.38 3.71 0.00 2.42 1.43 -0.80 -4.50 118.68 117.57 1cni s LEU 198 Ca 0.40 1.99 0.22 0.00 -1.03 0.00 0.00 54.13 55.71 1cni s LEU 198 Cb 0.02 -4.56 0.51 0.00 0.03 0.00 0.00 46.19 42.19 1cni s LEU 198 CO 0.26 -1.06 1.44 0.35 0.23 0.00 0.00 176.35 177.58 1cni n THR 199 N -1.38 0.42 -4.19 5.49 -2.24 -1.26 -4.47 114.28 106.65 1cni n THR 199 Ca 0.10 -0.64 -0.18 0.00 -2.27 0.00 0.00 64.05 61.07 1cni n THR 199 Cb 0.52 0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 1cni n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cni s THR 200 N -1.58 1.15 0.51 4.28 -4.23 -1.26 -4.74 115.64 109.77 1cni s THR 200 Ca 0.37 -1.47 -0.21 0.00 -1.18 0.00 0.00 61.69 59.20 1cni s THR 200 Cb 0.21 -1.24 -0.09 0.00 1.34 0.00 0.00 72.50 72.72 1cni s THR 200 CO 0.30 -0.33 0.78 -2.65 -0.54 0.00 0.00 174.62 172.18 1cni n PRO 201 N 0.97 0.87 0.00 3.99 -0.02 -1.26 -0.56 135.00 138.98 1cni n PRO 201 Ca -0.19 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1cni n PRO 201 Cb 0.55 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1cni n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cni n PRO 202 N -0.11 0.68 -3.91 0.52 -0.04 -1.26 -4.98 135.00 125.90 1cni n PRO 202 Ca 0.11 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.26 1cni n PRO 202 Cb 0.44 -1.03 0.01 0.00 -0.04 0.00 0.00 33.50 32.87 1cni n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cni n LEU 203 N -0.44 -2.14 -4.75 1.53 4.77 0.27 -4.89 117.00 111.35 1cni n LEU 203 Ca 0.00 -0.78 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 1cni n LEU 203 Cb 0.02 -2.36 -0.02 0.00 -2.33 0.00 0.00 43.42 38.73 1cni n LEU 203 CO 0.00 0.36 1.11 -0.76 -1.33 0.00 0.00 177.39 176.78 1cni s LEU 204 N -7.15 4.38 -1.26 2.23 1.43 -1.26 -4.45 118.68 112.59 1cni s LEU 204 Ca 0.65 2.76 -0.09 0.00 -1.03 0.00 0.00 54.13 56.41 1cni s LEU 204 Cb -0.34 -3.63 0.18 0.00 0.03 0.00 0.00 46.19 42.43 1cni s LEU 204 CO 0.80 -0.73 1.80 -0.62 0.23 0.00 0.00 176.35 177.83 1cni n GLU 205 N 1.89 3.65 -0.09 1.70 1.02 -1.26 -1.90 120.64 125.66 1cni n GLU 205 Ca 0.05 -3.63 0.01 0.00 -0.02 0.00 0.00 57.16 53.57 1cni n GLU 205 Cb 0.40 -2.91 0.02 0.00 -0.02 0.00 0.00 31.44 28.93 1cni n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cni s VAL 207 N -0.69 5.25 -0.40 0.00 1.01 -0.91 -1.16 120.40 123.51 1cni s VAL 207 Ca 0.04 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 1cni s VAL 207 Cb 0.04 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.09 1cni s VAL 207 CO 0.00 0.49 0.27 -0.89 0.00 0.00 0.00 175.10 174.97 1cni s THR 208 N 0.00 4.88 0.13 3.92 2.01 -0.32 -0.01 115.64 126.26 1cni s THR 208 Ca 0.09 -0.84 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 1cni s THR 208 Cb -0.12 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.56 1cni s THR 208 CO -0.00 -0.32 0.81 0.26 -0.69 0.00 0.00 174.62 174.68 1cni s TRP 209 N 1.60 3.85 -0.28 4.92 0.52 -0.36 -2.32 118.94 126.87 1cni s TRP 209 Ca 0.03 1.63 -0.01 0.00 0.02 0.00 0.00 56.10 57.77 1cni s TRP 209 Cb -0.20 -2.83 0.09 0.00 -1.15 0.00 0.00 33.47 29.38 1cni s TRP 209 CO 0.08 0.41 0.07 0.42 0.02 0.00 0.00 176.95 177.94 1cni s ILE 210 N -0.70 0.94 -0.25 2.03 1.01 -0.75 -2.69 121.20 120.79 1cni s ILE 210 Ca 0.38 -1.26 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1cni s ILE 210 Cb -0.23 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1cni s ILE 210 CO 0.26 -0.52 0.07 -0.69 0.00 0.00 0.00 174.94 174.06 1cni s VAL 211 N 1.61 4.33 0.26 2.92 1.01 -0.21 -0.61 120.40 129.71 1cni s VAL 211 Ca 0.06 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1cni s VAL 211 Cb -0.17 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 1cni s VAL 211 CO -0.19 0.34 1.12 -0.76 0.00 0.00 0.00 175.10 175.60 1cni s LEU 212 N 1.62 4.53 0.11 3.92 1.43 -0.62 -0.96 118.68 128.71 1cni s LEU 212 Ca 0.06 2.26 -0.16 0.00 -1.03 0.00 0.00 54.13 55.27 1cni s LEU 212 Cb -0.15 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1cni s LEU 212 CO 0.04 -0.19 1.54 0.50 0.23 0.00 0.00 176.35 178.47 1cni h LYS 213 N 4.09 0.63 -5.90 1.70 3.64 -1.61 -3.43 116.57 115.69 1cni h LYS 213 Ca -0.46 -0.21 -0.59 0.00 -1.27 0.00 0.00 60.65 58.11 1cni h LYS 213 Cb 1.21 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.89 1cni h LYS 213 CO 0.68 0.76 0.54 -2.00 -2.27 0.00 0.00 179.45 177.16 1cni s GLU 214 N -4.93 4.07 0.65 1.90 2.12 -1.26 -5.01 118.70 116.24 1cni s GLU 214 Ca -0.13 0.85 -0.10 0.00 0.36 0.00 0.00 54.97 55.95 1cni s GLU 214 Cb 0.09 -3.70 -0.00 0.00 0.26 0.00 0.00 34.13 30.78 1cni s GLU 214 CO 0.78 -0.67 1.03 -1.25 -0.54 0.00 0.00 175.26 174.62 1cni s PRO 215 N 3.07 3.10 0.12 4.30 0.04 -1.26 -4.68 135.00 139.69 1cni s PRO 215 Ca 0.36 0.45 0.04 0.00 0.04 0.00 0.00 61.00 61.89 1cni s PRO 215 Cb -0.14 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1cni s PRO 215 CO 0.11 -0.81 0.13 0.96 0.04 0.00 0.00 177.00 177.42 1cni s ILE 216 N -3.22 4.64 -0.01 0.56 -4.36 -0.12 -4.90 121.20 113.78 1cni s ILE 216 Ca 0.56 -0.86 -0.00 0.00 -0.26 0.00 0.00 60.65 60.09 1cni s ILE 216 Cb -0.11 -3.30 -0.04 0.00 1.25 0.00 0.00 42.46 40.26 1cni s ILE 216 CO 0.51 0.01 0.06 -0.94 0.24 0.00 0.00 174.94 174.82 1cni s SER 217 N -2.76 5.52 0.15 4.36 1.04 -1.26 -0.87 113.70 119.88 1cni s SER 217 Ca 0.31 0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.91 1cni s SER 217 Cb -0.11 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.41 1cni s SER 217 CO 0.24 0.29 -0.12 0.68 0.98 0.00 0.00 173.24 175.30 1cni s VAL 218 N -1.13 1.29 0.63 5.02 -7.23 -0.17 -3.73 120.40 115.09 1cni s VAL 218 Ca 0.21 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 1cni s VAL 218 Cb -0.12 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 1cni s VAL 218 CO 0.12 -0.61 1.02 -0.94 -0.31 0.00 0.00 175.10 174.38 1cni s SER 219 N -2.92 5.92 0.28 4.85 1.04 -1.17 -0.32 113.70 121.38 1cni s SER 219 Ca 0.14 1.23 -0.03 0.00 0.48 0.00 0.00 55.95 57.77 1cni s SER 219 Cb -0.01 -2.21 0.41 0.00 0.10 0.00 0.00 66.02 64.31 1cni s SER 219 CO 0.02 -1.02 1.94 -1.28 0.98 0.00 0.00 173.24 173.88 1cni h SER 220 N -0.37 1.01 -0.79 7.02 0.87 -1.94 -2.01 113.55 117.34 1cni h SER 220 Ca -0.45 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.06 1cni h SER 220 Cb 1.22 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 1cni h SER 220 CO 0.62 0.70 0.35 -0.33 -0.53 0.00 0.00 176.83 177.65 1cni h GLU 221 N 1.17 1.16 -0.17 2.24 3.07 -1.95 0.10 114.58 120.19 1cni h GLU 221 Ca 0.35 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1cni h GLU 221 Cb -0.04 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 1cni h GLU 221 CO -0.10 0.92 0.01 1.96 -1.40 0.00 0.00 179.01 180.40 1cni h GLN 222 N 1.13 0.30 -0.06 2.33 4.20 -1.77 -2.94 115.11 118.31 1cni h GLN 222 Ca 0.27 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 1cni h GLN 222 Cb 0.16 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1cni h GLN 222 CO -0.03 0.49 -0.38 -0.24 -0.67 0.00 0.00 178.83 178.01 1cni h VAL 223 N 0.06 1.29 -0.48 -0.54 3.04 -1.18 -2.48 116.25 115.96 1cni h VAL 223 Ca 0.05 -1.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.37 1cni h VAL 223 Cb 0.35 1.67 -0.02 0.00 -2.01 0.00 0.00 31.29 31.28 1cni h VAL 223 CO 0.01 0.40 0.30 -0.07 -1.01 0.00 0.00 177.57 177.20 1cni h LEU 224 N 0.10 0.55 -1.15 3.16 3.38 -0.85 -1.81 115.31 118.69 1cni h LEU 224 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1cni h LEU 224 Cb 0.72 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1cni h LEU 224 CO 0.05 0.41 0.15 0.11 0.09 0.00 0.00 178.44 179.26 1cni h LYS 225 N 0.65 0.75 -0.65 1.13 6.56 -1.27 -2.57 116.57 121.16 1cni h LYS 225 Ca 0.17 -0.13 0.03 0.00 -1.06 0.00 0.00 60.65 59.66 1cni h LYS 225 Cb -0.05 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 31.44 1cni h LYS 225 CO -0.04 0.66 0.41 0.74 -2.06 0.00 0.00 179.45 179.16 1cni h PHE 226 N 0.74 0.77 0.00 -1.35 -1.00 -1.37 -2.52 116.94 112.21 1cni h PHE 226 Ca 0.17 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1cni h PHE 226 Cb 0.22 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.53 1cni h PHE 226 CO 0.01 0.45 0.00 0.54 -1.61 0.00 0.00 178.31 177.70 1cni n ARG 227 N -4.69 0.16 0.00 1.51 1.74 -0.97 -2.27 116.66 112.14 1cni n ARG 227 Ca 0.06 0.18 0.12 0.00 -0.77 0.00 0.00 57.85 57.44 1cni n ARG 227 Cb 0.07 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.24 1cni n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1cni n LYS 228 N -1.29 0.03 -1.22 5.56 5.02 -0.95 -4.45 118.16 120.85 1cni n LYS 228 Ca 0.06 -0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 1cni n LYS 228 Cb 0.10 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.71 1cni n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cni s LEU 229 N -2.98 2.80 0.09 -0.35 2.01 -0.96 -4.87 118.68 114.41 1cni s LEU 229 Ca 0.11 1.74 0.09 0.00 0.01 0.00 0.00 54.13 56.09 1cni s LEU 229 Cb 0.17 -4.35 -0.04 0.00 0.01 0.00 0.00 46.19 41.99 1cni s LEU 229 CO 0.71 -2.24 -0.24 0.20 1.01 0.00 0.00 176.35 175.79 1cni s ASN 230 N -3.38 3.47 -0.04 2.29 0.02 0.38 -0.22 114.94 117.47 1cni s ASN 230 Ca 0.62 -0.61 -0.20 0.00 -1.02 0.00 0.00 52.86 51.65 1cni s ASN 230 Cb -0.18 -0.37 -0.32 0.00 0.02 0.00 0.00 41.25 40.40 1cni s ASN 230 CO 0.56 0.22 0.89 -0.26 0.02 0.00 0.00 177.10 178.53 1cni h PHE 231 N 4.24 0.63 -4.16 2.20 0.04 -1.20 -3.36 116.94 115.34 1cni h PHE 231 Ca -0.49 -0.46 -0.50 0.00 2.80 0.00 0.00 57.97 59.32 1cni h PHE 231 Cb 1.16 -0.03 0.15 0.00 2.20 0.00 0.00 35.95 39.43 1cni h PHE 231 CO 0.55 1.39 0.26 0.54 -0.60 0.00 0.00 178.31 180.46 1cni s ASN 232 N -7.11 3.72 0.57 2.17 4.22 -1.26 -4.34 114.94 112.91 1cni s ASN 232 Ca -0.13 1.69 -0.02 0.00 -2.14 0.00 0.00 52.86 52.26 1cni s ASN 232 Cb 0.02 -2.35 0.03 0.00 1.28 0.00 0.00 41.25 40.22 1cni s ASN 232 CO 0.85 -2.51 0.82 -0.83 -2.04 0.00 0.00 177.10 173.39 1cni s GLY 233 N -3.30 1.70 0.44 0.45 0.00 -1.26 -1.50 107.32 103.85 1cni s GLY 233 Ca 0.63 -1.08 -0.25 0.00 0.00 0.00 0.00 44.72 44.02 1cni s GLY 233 CO 0.57 -0.79 1.35 -2.21 0.00 0.00 0.00 173.10 172.01 1cni n GLU 234 N -2.44 2.07 -1.44 2.90 2.13 -1.26 -2.69 120.64 119.90 1cni n GLU 234 Ca 0.06 0.74 -0.03 0.00 0.66 0.00 0.00 57.16 58.59 1cni n GLU 234 Cb 0.59 -2.50 -0.01 0.00 0.27 0.00 0.00 31.44 29.79 1cni n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cni n GLY 235 N 0.71 0.47 3.26 8.31 0.00 -1.26 -5.04 105.19 111.64 1cni n GLY 235 Ca 0.06 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 1cni n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cni s GLU 236 N -2.95 1.08 0.33 1.61 2.02 -1.10 -5.11 118.70 114.58 1cni s GLU 236 Ca 0.00 -1.39 -0.28 0.00 0.02 0.00 0.00 54.97 53.32 1cni s GLU 236 Cb 0.00 -0.77 -0.13 0.00 0.10 0.00 0.00 34.13 33.34 1cni s GLU 236 CO 0.00 0.12 1.22 -2.30 0.02 0.00 0.00 175.26 174.32 1cni n PRO 237 N 0.02 1.94 -2.25 0.39 -0.02 -1.26 -4.88 135.00 128.95 1cni n PRO 237 Ca -0.12 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1cni n PRO 237 Cb 0.59 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1cni n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1cni s GLU 238 N -1.82 4.26 -0.30 -0.52 2.12 -1.26 -4.77 118.70 116.41 1cni s GLU 238 Ca 0.56 1.91 0.01 0.00 0.36 0.00 0.00 54.97 57.82 1cni s GLU 238 Cb -0.60 -3.68 0.09 0.00 0.26 0.00 0.00 34.13 30.20 1cni s GLU 238 CO 0.62 -0.64 0.04 -1.21 -0.54 0.00 0.00 175.26 173.53 1cni s GLU 239 N 2.89 1.26 0.34 4.30 2.02 -1.26 -5.06 118.70 123.19 1cni s GLU 239 Ca 0.63 -1.36 -0.29 0.00 0.02 0.00 0.00 54.97 53.97 1cni s GLU 239 Cb -0.29 -2.62 -0.11 0.00 0.10 0.00 0.00 34.13 31.21 1cni s GLU 239 CO 0.24 -0.86 1.45 -0.51 0.02 0.00 0.00 175.26 175.60 1cni s LEU 240 N 1.28 4.36 -0.81 1.80 1.43 -1.26 -0.76 118.68 124.71 1cni s LEU 240 Ca 0.06 2.91 -0.23 0.00 -1.03 0.00 0.00 54.13 55.83 1cni s LEU 240 Cb -0.18 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 42.44 1cni s LEU 240 CO -0.13 -0.77 1.20 -0.32 0.23 0.00 0.00 176.35 176.56 1cni s MET 241 N -1.68 3.33 0.06 1.70 -2.45 0.70 -4.63 119.30 116.33 1cni s MET 241 Ca 0.53 -0.86 -0.08 0.00 -1.25 0.00 0.00 55.69 54.04 1cni s MET 241 Cb -0.44 -4.59 -0.00 0.00 1.25 0.00 0.00 34.83 31.04 1cni s MET 241 CO 0.57 -2.01 0.15 0.14 1.05 0.00 0.00 175.02 174.93 1cni s VAL 242 N 4.58 0.13 -1.36 10.11 -7.23 -1.26 -4.46 120.40 120.92 1cni s VAL 242 Ca 0.33 -1.11 -0.05 0.00 -1.81 0.00 0.00 61.98 59.34 1cni s VAL 242 Cb -0.08 -1.11 0.03 0.00 0.56 0.00 0.00 36.38 35.78 1cni s VAL 242 CO 0.04 -0.61 0.90 0.47 -0.31 0.00 0.00 175.10 175.58 1cni n ASP 243 N 0.40 -3.08 -2.75 4.85 8.00 -0.34 -4.86 116.55 118.77 1cni n ASP 243 Ca -0.17 -0.74 -0.33 0.00 0.71 0.00 0.00 54.79 54.27 1cni n ASP 243 Cb 0.60 -4.33 -0.02 0.00 -0.02 0.00 0.00 41.12 37.35 1cni n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1cni n ASN 244 N -3.00 6.96 -4.27 -2.24 6.94 -1.11 -4.92 115.26 113.62 1cni n ASN 244 Ca -0.16 -3.41 -0.22 0.00 -0.02 0.00 0.00 54.58 50.77 1cni n ASN 244 Cb 0.62 -1.19 -0.12 0.00 -2.36 0.00 0.00 39.78 36.73 1cni n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1cni s TRP 245 N -2.50 1.64 -0.12 -2.53 1.48 -1.26 -4.62 118.94 111.03 1cni s TRP 245 Ca 0.56 -0.46 -0.06 0.00 -1.06 0.00 0.00 56.10 55.07 1cni s TRP 245 Cb 0.38 -0.88 -0.04 0.00 -1.16 0.00 0.00 33.47 31.77 1cni s TRP 245 CO -0.27 0.20 0.12 0.50 -4.06 0.00 0.00 176.95 173.44 1cni s ARG 246 N -2.20 3.43 0.72 3.25 3.52 -1.26 -4.97 118.95 121.44 1cni s ARG 246 Ca 0.08 -0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 55.37 1cni s ARG 246 Cb -0.08 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1cni s ARG 246 CO 0.04 0.72 1.09 -1.25 -0.81 0.00 0.00 175.30 175.09 1cni s PRO 247 N -0.88 2.60 0.37 5.12 0.04 -1.26 -4.70 135.00 136.29 1cni s PRO 247 Ca 0.14 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.10 1cni s PRO 247 Cb -0.12 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 1cni s PRO 247 CO 0.03 -1.38 1.13 0.00 0.04 0.00 0.00 177.00 176.83 1cni n ALA 248 N -3.06 0.60 -2.75 8.56 0.00 -1.26 -4.45 120.51 118.14 1cni n ALA 248 Ca 0.09 0.30 -0.23 0.00 0.00 0.00 0.00 53.44 53.60 1cni n ALA 248 Cb 0.53 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 1cni n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1cni s GLN 249 N -1.92 2.68 0.29 0.00 -1.52 0.90 -4.95 119.66 115.14 1cni s GLN 249 Ca 0.60 -1.14 -0.30 0.00 -1.95 0.00 0.00 55.36 52.57 1cni s GLN 249 Cb -0.58 -2.44 -0.11 0.00 -0.22 0.00 0.00 33.01 29.67 1cni s GLN 249 CO 0.59 0.41 1.49 -1.25 -0.25 0.00 0.00 175.29 176.27 1cni s PRO 250 N -3.60 4.20 0.34 2.91 0.04 -1.26 -4.59 135.00 133.04 1cni s PRO 250 Ca 0.32 2.42 0.09 0.00 0.04 0.00 0.00 61.00 63.86 1cni s PRO 250 Cb -0.08 -3.06 0.62 0.00 0.04 0.00 0.00 34.50 32.02 1cni s PRO 250 CO 0.23 -0.49 1.80 1.25 0.04 0.00 0.00 177.00 179.83 1cni h LEU 251 N 4.54 0.21 0.00 -3.56 5.85 -1.95 -3.44 115.31 116.96 1cni h LEU 251 Ca -0.47 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1cni h LEU 251 Cb 1.22 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1cni h LEU 251 CO 0.75 0.50 0.00 0.29 -0.34 0.00 0.00 178.44 179.65 1cni n LYS 252 N -4.13 0.00 -2.51 1.25 5.02 -1.26 -3.35 118.16 113.17 1cni n LYS 252 Ca -0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 1cni n LYS 252 Cb 0.39 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.40 1cni n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1cni n ASN 253 N 1.52 5.55 -4.02 4.39 6.94 -1.26 -4.92 115.26 123.45 1cni n ASN 253 Ca 0.00 -3.20 -0.10 0.00 -0.02 0.00 0.00 54.58 51.26 1cni n ASN 253 Cb 0.00 -1.41 -0.11 0.00 -2.36 0.00 0.00 39.78 35.90 1cni n ASN 253 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1cni s ARG 254 N -0.59 0.41 -0.08 -3.83 0.52 -1.21 -5.12 118.95 109.06 1cni s ARG 254 Ca 0.37 -0.73 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 1cni s ARG 254 Cb 0.09 -0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.55 1cni s ARG 254 CO 0.03 -0.03 -0.19 -1.14 0.02 0.00 0.00 175.30 174.00 1cni s GLN 255 N -1.78 2.38 -0.12 3.54 0.74 -1.26 -5.04 119.66 118.12 1cni s GLN 255 Ca -0.11 -0.67 -0.19 0.00 0.05 0.00 0.00 55.36 54.44 1cni s GLN 255 Cb -0.08 -1.87 -0.04 0.00 1.10 0.00 0.00 33.01 32.12 1cni s GLN 255 CO -0.01 0.14 0.50 0.42 -0.55 0.00 0.00 175.29 175.78 1cni s ILE 256 N 0.41 5.17 0.09 -2.34 1.01 -1.26 -4.72 121.20 119.55 1cni s ILE 256 Ca -0.15 0.99 0.04 0.00 0.00 0.00 0.00 60.65 61.53 1cni s ILE 256 Cb -0.16 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1cni s ILE 256 CO 0.06 0.30 0.03 -0.54 0.00 0.00 0.00 174.94 174.79 1cni s LYS 257 N 0.76 2.67 0.02 2.79 1.02 -0.47 -0.83 119.74 125.71 1cni s LYS 257 Ca 0.27 -0.79 0.08 0.00 0.02 0.00 0.00 55.97 55.55 1cni s LYS 257 Cb -0.15 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1cni s LYS 257 CO 0.11 0.55 -0.23 0.00 -0.92 0.00 0.00 175.35 174.85 1cni s ALA 258 N -1.35 2.34 -2.05 5.17 0.00 0.33 -0.59 121.76 125.61 1cni s ALA 258 Ca 0.27 -1.19 0.27 0.00 0.00 0.00 0.00 51.96 51.32 1cni s ALA 258 Cb -0.12 -0.60 0.97 0.00 0.00 0.00 0.00 23.12 23.37 1cni s ALA 258 CO 0.20 0.54 1.69 -1.13 0.00 0.00 0.00 175.76 177.06 1cni n SER 259 N 1.97 1.11 -4.34 0.00 3.41 -0.21 -1.21 113.62 114.34 1cni n SER 259 Ca -0.17 -1.10 -0.17 0.00 -0.26 0.00 0.00 58.87 57.17 1cni n SER 259 Cb 0.52 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1cni n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1cni s PHE 260 N -2.28 1.60 -0.52 7.33 -0.71 -1.26 -4.91 117.98 117.22 1cni s PHE 260 Ca 0.31 -0.94 0.04 0.00 -1.04 0.00 0.00 56.93 55.30 1cni s PHE 260 Cb 0.20 -0.94 0.03 0.00 -1.21 0.00 0.00 43.02 41.10 1cni s PHE 260 CO 0.44 -0.05 0.63 1.17 -1.34 0.00 0.00 175.22 176.07