#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnk s THR 2 N 0.00 4.02 0.03 3.15 2.01 -1.26 -4.54 115.64 119.05 1nnk s THR 2 Ca 0.00 1.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 1nnk s THR 2 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1nnk s THR 2 CO 0.00 -0.15 1.25 -0.69 -0.69 0.00 0.00 174.62 174.34 1nnk s VAL 3 N 3.84 3.95 -0.25 3.82 1.01 0.68 -4.82 120.40 128.64 1nnk s VAL 3 Ca 0.62 1.37 -0.21 0.00 0.00 0.00 0.00 61.98 63.75 1nnk s VAL 3 Cb -0.25 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1nnk s VAL 3 CO 0.21 0.07 0.68 -0.69 0.00 0.00 0.00 175.10 175.36 1nnk s VAL 4 N 1.53 4.95 -0.26 2.92 1.01 -1.26 -0.54 120.40 128.75 1nnk s VAL 4 Ca 0.60 1.25 -0.06 0.00 0.00 0.00 0.00 61.98 63.76 1nnk s VAL 4 Cb -0.30 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1nnk s VAL 4 CO 0.27 0.01 0.05 -0.69 0.00 0.00 0.00 175.10 174.74 1nnk s VAL 5 N 2.55 4.02 0.05 2.92 1.01 -0.30 -0.89 120.40 129.76 1nnk s VAL 5 Ca 0.29 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1nnk s VAL 5 Cb -0.15 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 1nnk s VAL 5 CO 0.08 0.28 0.39 0.28 0.00 0.00 0.00 175.10 176.14 1nnk s THR 6 N 1.55 5.09 0.28 3.92 -1.32 0.19 -0.16 115.64 125.19 1nnk s THR 6 Ca 0.05 0.55 -0.05 0.00 -1.21 0.00 0.00 61.69 61.03 1nnk s THR 6 Cb -0.15 -3.65 0.02 0.00 -1.51 0.00 0.00 72.50 67.20 1nnk s THR 6 CO 0.02 0.39 0.45 1.07 -2.21 0.00 0.00 174.62 174.34 1nnk n THR 7 N 1.21 0.00 -4.04 5.08 5.66 -0.46 -2.13 114.28 119.60 1nnk n THR 7 Ca -0.10 -1.12 -0.13 0.00 -3.05 0.00 0.00 64.05 59.65 1nnk n THR 7 Cb 0.52 0.79 -0.13 0.00 -1.55 0.00 0.00 70.33 69.97 1nnk n THR 7 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1nnk s ILE 8 N -2.58 0.32 -0.48 1.09 2.07 -1.26 0.23 121.20 120.60 1nnk s ILE 8 Ca 0.18 -0.59 -0.28 0.00 -1.41 0.00 0.00 60.65 58.55 1nnk s ILE 8 Cb -0.02 -0.36 -0.00 0.00 0.13 0.00 0.00 42.46 42.22 1nnk s ILE 8 CO 0.13 -0.19 1.58 -0.76 -1.91 0.00 0.00 174.94 173.79 1nnk s LEU 9 N -0.83 3.45 -0.22 8.50 1.43 -1.26 -4.45 118.68 125.29 1nnk s LEU 9 Ca -0.06 0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1nnk s LEU 9 Cb -0.06 -3.18 0.11 0.00 0.03 0.00 0.00 46.19 43.09 1nnk s LEU 9 CO -0.00 -1.76 0.32 -0.70 0.23 0.00 0.00 176.35 174.44 1nnk s GLU 10 N 5.67 0.28 0.35 1.70 2.56 -0.60 -4.97 118.70 123.68 1nnk s GLU 10 Ca 0.63 0.43 -0.27 0.00 0.00 0.00 0.00 54.97 55.76 1nnk s GLU 10 Cb -0.14 -0.71 -0.09 0.00 2.00 0.00 0.00 34.13 35.18 1nnk s GLU 10 CO 0.28 -0.62 1.19 -1.12 -0.56 0.00 0.00 175.26 174.43 1nnk s SER 11 N 2.46 6.79 -0.13 -1.70 0.01 -1.24 -0.38 113.70 119.50 1nnk s SER 11 Ca 0.10 2.42 0.13 0.00 1.31 0.00 0.00 55.95 59.91 1nnk s SER 11 Cb -0.15 -2.63 0.60 0.00 0.21 0.00 0.00 66.02 64.05 1nnk s SER 11 CO -0.14 -0.50 1.45 -0.81 0.41 0.00 0.00 173.24 173.66 1nnk n PRO 12 N 0.57 3.57 -0.00 12.44 -0.04 -1.26 -4.90 135.00 145.37 1nnk n PRO 12 Ca 0.02 -2.34 -0.12 0.00 -0.04 0.00 0.00 63.50 61.02 1nnk n PRO 12 Cb 0.45 -1.92 -0.10 0.00 -0.04 0.00 0.00 33.50 31.89 1nnk n PRO 12 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1nnk h TYR 13 N 3.16 -0.07 -3.15 0.54 0.05 -1.04 0.11 116.97 116.56 1nnk h TYR 13 Ca 0.00 -0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.49 1nnk h TYR 13 Cb 1.41 0.02 -0.35 0.00 1.01 0.00 0.00 36.73 38.82 1nnk h TYR 13 CO 0.72 0.50 -0.64 0.08 -1.05 0.00 0.00 178.16 177.77 1nnk s VAL 14 N -3.55 -0.21 0.04 -2.88 1.01 -0.06 -0.98 120.40 113.77 1nnk s VAL 14 Ca -0.15 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1nnk s VAL 14 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1nnk s VAL 14 CO 0.60 0.14 -0.05 -0.04 0.00 0.00 0.00 175.10 175.75 1nnk s MET 15 N 2.06 0.49 0.24 2.72 -1.94 0.54 -1.56 119.30 121.84 1nnk s MET 15 Ca 0.01 -0.82 -0.30 0.00 -1.71 0.00 0.00 55.69 52.87 1nnk s MET 15 Cb -0.12 -0.07 -0.09 0.00 2.01 0.00 0.00 34.83 36.56 1nnk s MET 15 CO -0.05 -0.01 0.97 -1.64 -0.01 0.00 0.00 175.02 174.27 1nnk s MET 16 N -2.06 4.81 0.62 2.03 -1.94 -1.26 -0.47 119.30 121.03 1nnk s MET 16 Ca -0.08 1.54 -0.16 0.00 -1.71 0.00 0.00 55.69 55.28 1nnk s MET 16 Cb -0.06 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.49 1nnk s MET 16 CO -0.02 0.44 1.11 0.15 -0.01 0.00 0.00 175.02 176.69 1nnk s LYS 17 N -1.13 2.99 0.27 2.03 1.02 0.31 -4.83 119.74 120.40 1nnk s LYS 17 Ca 0.42 1.42 -0.00 0.00 0.02 0.00 0.00 55.97 57.83 1nnk s LYS 17 Cb -0.27 -1.97 0.53 0.00 -0.52 0.00 0.00 37.83 35.60 1nnk s LYS 17 CO 0.33 -1.10 1.80 0.87 -0.92 0.00 0.00 175.35 176.33 1nnk h LYS 18 N 0.35 0.78 -0.99 1.68 1.79 -1.95 -1.49 116.57 116.74 1nnk h LYS 18 Ca -0.48 -0.05 -0.58 0.00 -2.18 0.00 0.00 60.65 57.37 1nnk h LYS 18 Cb 1.25 -0.18 -0.30 0.00 -1.58 0.00 0.00 32.23 31.42 1nnk h LYS 18 CO 0.55 0.51 0.73 0.27 -1.08 0.00 0.00 179.45 180.43 1nnk n ASN 19 N -4.75 5.35 0.23 0.86 6.94 -1.26 -4.66 115.26 117.97 1nnk n ASN 19 Ca 0.17 -3.69 0.07 0.00 -0.02 0.00 0.00 54.58 51.11 1nnk n ASN 19 Cb 0.39 -0.89 0.53 0.00 -2.36 0.00 0.00 39.78 37.44 1nnk n ASN 19 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1nnk h HIS 20 N 1.41 0.00 0.00 -2.53 2.07 -1.54 -2.73 115.15 111.83 1nnk h HIS 20 Ca 0.62 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.14 1nnk h HIS 20 Cb 2.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.99 1nnk h HIS 20 CO 1.52 0.20 0.00 0.93 -3.07 0.00 0.00 177.93 177.52 1nnk h GLU 21 N 0.00 0.00 -0.01 5.12 4.39 -1.84 -0.40 114.58 121.83 1nnk h GLU 21 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nnk h GLU 21 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1nnk h GLU 21 CO 0.03 0.00 -0.48 0.00 -1.16 0.00 0.00 179.01 177.40 1nnk n MET 22 N -2.96 1.14 -4.02 2.33 0.00 -1.03 -4.96 117.12 107.62 1nnk n MET 22 Ca -0.02 -0.93 -0.22 0.00 0.00 0.00 0.00 57.70 56.54 1nnk n MET 22 Cb 0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 33.22 31.80 1nnk n MET 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1nnk s LEU 23 N -2.50 3.78 0.25 3.17 1.43 -0.16 -5.14 118.68 119.51 1nnk s LEU 23 Ca 0.19 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1nnk s LEU 23 Cb 0.18 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1nnk s LEU 23 CO 0.58 -0.13 -0.03 -1.61 0.23 0.00 0.00 176.35 175.39 1nnk s GLU 24 N -3.90 1.41 4.13 1.70 2.02 -1.26 -4.79 118.70 118.01 1nnk s GLU 24 Ca 0.35 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.63 1nnk s GLU 24 Cb -0.07 -0.82 0.00 0.00 0.10 0.00 0.00 34.13 33.34 1nnk s GLU 24 CO 0.26 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.90 1nnk n GLY 25 N -0.47 1.38 0.27 -1.39 0.00 -1.26 -3.00 105.19 100.72 1nnk n GLY 25 Ca -0.05 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.54 1nnk n GLY 25 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nnk h ASN 26 N 8.66 0.00 0.21 1.61 2.35 -1.92 -2.68 115.58 123.82 1nnk h ASN 26 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1nnk h ASN 26 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1nnk h ASN 26 CO 0.00 0.09 0.00 -0.08 -1.65 0.00 0.00 177.43 175.79 1nnk h GLU 27 N 0.00 0.00 0.00 0.81 4.81 -1.94 -2.14 114.58 116.12 1nnk h GLU 27 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1nnk h GLU 27 Cb 0.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1nnk h GLU 27 CO 0.01 0.00 -0.12 0.00 -0.73 0.00 0.00 179.01 178.17 1nnk h ARG 28 N 0.00 0.00 -6.20 1.92 3.08 -1.59 -3.46 114.38 108.14 1nnk h ARG 28 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1nnk h ARG 28 Cb 0.10 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1nnk h ARG 28 CO 0.00 0.12 -0.53 0.71 -1.07 0.00 0.00 179.97 179.20 1nnk s TYR 29 N -3.83 3.12 0.13 3.04 2.02 -0.81 -0.53 117.35 120.49 1nnk s TYR 29 Ca -0.01 -0.09 -0.15 0.00 -0.37 0.00 0.00 57.07 56.45 1nnk s TYR 29 Cb 0.11 -1.42 0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1nnk s TYR 29 CO 0.58 0.52 0.38 -1.83 -1.57 0.00 0.00 175.55 173.63 1nnk s GLU 30 N -3.69 1.07 0.00 -0.62 -1.05 0.38 -4.79 118.70 109.99 1nnk s GLU 30 Ca 0.32 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 1nnk s GLU 30 Cb -0.08 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1nnk s GLU 30 CO 0.25 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.45 1nnk n GLY 31 N -0.21 1.53 0.11 -3.83 0.00 -1.26 -0.34 105.19 101.18 1nnk n GLY 31 Ca -0.15 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 1nnk n GLY 31 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1nnk h TYR 32 N 0.00 0.01 0.00 1.61 5.03 -0.51 0.57 116.97 123.68 1nnk h TYR 32 Ca 0.00 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.21 1nnk h TYR 32 Cb 0.00 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.29 1nnk h TYR 32 CO 0.00 -0.02 -0.56 0.00 -1.32 0.00 0.00 178.16 176.26 1nnk h VAL 34 N 0.00 1.27 -0.59 0.00 2.07 -1.42 0.12 116.25 117.70 1nnk h VAL 34 Ca -0.01 -1.54 -0.08 0.00 0.82 0.00 0.00 66.70 65.90 1nnk h VAL 34 Cb 1.08 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1nnk h VAL 34 CO 0.07 0.51 0.06 0.44 0.02 0.00 0.00 177.57 178.67 1nnk h ASP 35 N 0.73 0.97 -0.51 0.57 3.32 -0.64 -1.73 116.42 119.13 1nnk h ASP 35 Ca 0.06 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1nnk h ASP 35 Cb 0.96 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1nnk h ASP 35 CO 0.09 1.01 0.17 0.25 -1.72 0.00 0.00 179.24 179.04 1nnk h LEU 36 N 0.90 0.73 -0.67 1.55 5.85 -0.65 -1.58 115.31 121.43 1nnk h LEU 36 Ca 0.17 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1nnk h LEU 36 Cb 0.48 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1nnk h LEU 36 CO 0.02 0.73 0.32 0.00 -0.34 0.00 0.00 178.44 179.17 1nnk h ALA 37 N 1.03 0.87 -0.72 1.25 0.00 -0.66 -0.60 119.26 120.42 1nnk h ALA 37 Ca 0.17 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1nnk h ALA 37 Cb 0.26 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1nnk h ALA 37 CO -0.01 0.44 0.45 0.00 0.00 0.00 0.00 179.25 180.12 1nnk h ALA 38 N 1.15 0.96 0.05 0.00 0.00 -1.00 0.63 119.26 121.05 1nnk h ALA 38 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nnk h ALA 38 Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1nnk h ALA 38 CO -0.03 0.21 -0.03 0.93 0.00 0.00 0.00 179.25 180.33 1nnk h GLU 39 N 0.86 -0.07 -0.29 0.00 4.39 -0.81 -2.18 114.58 116.48 1nnk h GLU 39 Ca 0.30 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.04 1nnk h GLU 39 Cb 0.06 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1nnk h GLU 39 CO -0.13 0.24 0.10 0.82 -1.16 0.00 0.00 179.01 178.87 1nnk h ILE 40 N -0.37 0.91 -0.68 3.13 1.08 -0.93 -0.64 117.51 120.00 1nnk h ILE 40 Ca -0.01 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.44 1nnk h ILE 40 Cb 0.34 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 1nnk h ILE 40 CO 0.01 0.04 0.39 0.00 -0.69 0.00 0.00 178.15 177.91 1nnk h ALA 41 N 1.19 0.92 0.11 1.87 0.00 -0.84 0.94 119.26 123.44 1nnk h ALA 41 Ca 0.13 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 1nnk h ALA 41 Cb 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nnk h ALA 41 CO -0.14 0.09 -1.18 1.57 0.00 0.00 0.00 179.25 179.59 1nnk h LYS 42 N 0.74 0.38 0.00 0.00 2.10 -1.14 0.96 116.57 119.61 1nnk h LYS 42 Ca 0.30 -0.55 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1nnk h LYS 42 Cb 0.15 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1nnk h LYS 42 CO -0.17 1.23 0.00 0.45 -2.00 0.00 0.00 179.45 178.97 1nnk h HIS 43 N 0.15 0.00 -0.01 0.07 3.86 -0.90 -2.66 115.15 115.65 1nnk h HIS 43 Ca -0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1nnk h HIS 43 Cb 1.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.34 1nnk h HIS 43 CO 0.08 0.00 -0.41 0.00 0.86 0.00 0.00 177.93 178.46 1nnk n GLY 45 N 1.26 -0.16 3.07 0.00 0.00 0.14 -5.03 105.19 104.48 1nnk n GLY 45 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1nnk n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nnk s PHE 46 N -3.27 0.55 0.27 1.61 -0.12 -0.11 -5.02 117.98 111.89 1nnk s PHE 46 Ca 0.04 -0.82 -0.15 0.00 -0.05 0.00 0.00 56.93 55.96 1nnk s PHE 46 Cb -0.02 -0.36 -0.08 0.00 -0.63 0.00 0.00 43.02 41.92 1nnk s PHE 46 CO 0.54 -0.24 0.67 0.15 -0.05 0.00 0.00 175.22 176.30 1nnk s LYS 47 N -2.93 4.00 0.08 1.99 1.02 -1.26 -4.60 119.74 118.04 1nnk s LYS 47 Ca -0.00 0.60 -0.08 0.00 0.02 0.00 0.00 55.97 56.51 1nnk s LYS 47 Cb 0.00 -2.61 -0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1nnk s LYS 47 CO -0.05 0.27 0.17 1.52 -0.92 0.00 0.00 175.35 176.34 1nnk s TYR 48 N -1.81 0.18 -0.13 3.18 1.13 -1.26 -0.23 117.35 118.40 1nnk s TYR 48 Ca 0.49 -0.60 0.00 0.00 -1.41 0.00 0.00 57.07 55.55 1nnk s TYR 48 Cb -0.12 -0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.68 1nnk s TYR 48 CO 0.19 -0.52 -0.12 0.21 -2.51 0.00 0.00 175.55 172.79 1nnk s LYS 49 N -3.78 2.06 0.02 -3.49 2.20 0.30 -4.86 119.74 112.18 1nnk s LYS 49 Ca 0.04 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 1nnk s LYS 49 Cb 0.05 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.41 1nnk s LYS 49 CO -0.11 -0.23 1.00 -0.51 -0.36 0.00 0.00 175.35 175.15 1nnk s LEU 50 N 1.49 4.39 -0.07 5.43 1.43 -1.26 -1.15 118.68 128.94 1nnk s LEU 50 Ca 0.04 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1nnk s LEU 50 Cb -0.13 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.54 1nnk s LEU 50 CO -0.09 -0.25 -0.05 -0.89 0.23 0.00 0.00 176.35 175.30 1nnk s THR 51 N 0.88 0.70 0.11 5.49 2.01 0.77 -4.84 115.64 120.76 1nnk s THR 51 Ca 0.52 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1nnk s THR 51 Cb -0.22 -0.74 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 1nnk s THR 51 CO 0.28 0.29 1.00 -0.63 -0.69 0.00 0.00 174.62 174.87 1nnk s ILE 52 N 1.35 4.38 0.06 1.82 -1.09 -1.26 -1.36 121.20 125.11 1nnk s ILE 52 Ca -0.03 1.95 -0.34 0.00 -2.23 0.00 0.00 60.65 60.00 1nnk s ILE 52 Cb -0.14 -4.25 -0.13 0.00 -1.58 0.00 0.00 42.46 36.37 1nnk s ILE 52 CO -0.03 0.29 1.72 0.55 -1.23 0.00 0.00 174.94 176.24 1nnk n VAL 53 N 2.83 0.26 -0.13 2.92 3.14 0.14 -4.86 118.33 122.62 1nnk n VAL 53 Ca 0.03 -0.05 -0.05 0.00 -2.96 0.00 0.00 64.34 61.31 1nnk n VAL 53 Cb 0.49 -1.73 0.01 0.00 -1.06 0.00 0.00 33.84 31.55 1nnk n VAL 53 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1nnk h GLY 54 N 7.43 0.10 0.39 7.55 0.00 -1.93 -1.71 103.07 114.90 1nnk h GLY 54 Ca -0.46 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1nnk h GLY 54 CO 0.92 -0.20 0.00 2.09 0.00 0.00 0.00 176.54 179.35 1nnk n ASP 55 N -5.38 0.59 -1.72 0.19 5.68 -1.26 -4.92 116.55 109.73 1nnk n ASP 55 Ca 0.03 -1.23 -0.18 0.00 -0.50 0.00 0.00 54.79 52.91 1nnk n ASP 55 Cb 0.29 -0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.22 1nnk n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nnk n GLY 56 N 1.06 0.85 3.57 6.12 0.00 -0.65 -4.99 105.19 111.15 1nnk n GLY 56 Ca 0.21 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1nnk n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nnk s LYS 57 N -4.16 2.03 -0.13 1.61 1.02 -1.26 -4.96 119.74 113.89 1nnk s LYS 57 Ca 0.00 -1.47 -0.27 0.00 0.02 0.00 0.00 55.97 54.25 1nnk s LYS 57 Cb 0.00 -2.05 -0.24 0.00 -0.52 0.00 0.00 37.83 35.02 1nnk s LYS 57 CO 0.00 0.38 0.74 1.88 -0.92 0.00 0.00 175.35 177.43 1nnk h TYR 58 N 2.34 -0.00 0.00 3.18 -1.99 -1.87 -2.01 116.97 116.61 1nnk h TYR 58 Ca -0.44 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1nnk h TYR 58 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.97 1nnk h TYR 58 CO 0.71 0.93 0.00 0.41 -0.00 0.00 0.00 178.16 180.20 1nnk n GLY 59 N 1.58 3.80 3.27 3.88 0.00 -0.65 -1.28 105.19 115.78 1nnk n GLY 59 Ca -0.09 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 1nnk n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnk s ALA 60 N 0.00 -0.36 -0.27 4.61 0.00 -1.25 -4.62 121.76 119.88 1nnk s ALA 60 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 1nnk s ALA 60 Cb 0.00 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1nnk s ALA 60 CO 0.00 -0.58 0.14 0.50 0.00 0.00 0.00 175.76 175.82 1nnk s ARG 61 N -3.87 3.83 0.25 0.00 3.52 -1.26 -1.53 118.95 119.88 1nnk s ARG 61 Ca 0.07 -0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 54.98 1nnk s ARG 61 Cb 0.04 -3.51 -0.10 0.00 -1.56 0.00 0.00 34.95 29.81 1nnk s ARG 61 CO -0.09 -0.18 1.51 0.34 -0.81 0.00 0.00 175.30 176.07 1nnk s ASP 62 N 1.68 6.56 0.17 -2.12 -1.08 -0.26 -4.90 116.67 116.71 1nnk s ASP 62 Ca 0.07 2.75 -0.10 0.00 -0.52 0.00 0.00 52.55 54.74 1nnk s ASP 62 Cb -0.16 -2.62 0.03 0.00 -1.46 0.00 0.00 42.92 38.71 1nnk s ASP 62 CO 0.08 -0.78 1.60 0.00 0.52 0.00 0.00 175.17 176.58 1nnk h ALA 63 N 5.22 0.74 0.03 3.66 0.00 -1.95 0.20 119.26 127.16 1nnk h ALA 63 Ca -0.46 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 1nnk h ALA 63 Cb 1.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1nnk h ALA 63 CO 0.80 0.63 -0.02 0.22 0.00 0.00 0.00 179.25 180.89 1nnk h ASP 64 N 0.88 -0.04 0.63 0.00 1.82 -1.98 -3.35 116.42 114.38 1nnk h ASP 64 Ca 0.14 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.72 1nnk h ASP 64 Cb 0.64 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 1nnk h ASP 64 CO 0.04 -0.01 -0.30 0.71 -1.61 0.00 0.00 179.24 178.08 1nnk h THR 65 N -0.07 0.85 0.00 2.25 1.35 -1.99 -3.46 112.91 111.84 1nnk h THR 65 Ca -0.00 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1nnk h THR 65 Cb 0.03 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1nnk h THR 65 CO 0.01 0.29 0.00 0.29 -0.25 0.00 0.00 175.52 175.86 1nnk n LYS 66 N -3.66 -0.57 -2.96 4.72 4.76 0.69 -4.98 118.16 116.16 1nnk n LYS 66 Ca -0.01 0.14 -0.39 0.00 -2.87 0.00 0.00 58.31 55.18 1nnk n LYS 66 Cb 0.41 -3.60 -0.06 0.00 -1.84 0.00 0.00 35.03 29.94 1nnk n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nnk s ILE 67 N -1.90 4.34 -0.00 -0.18 -1.09 -1.25 -4.67 121.20 116.45 1nnk s ILE 67 Ca 0.00 1.72 -0.20 0.00 -2.23 0.00 0.00 60.65 59.94 1nnk s ILE 67 Cb 0.00 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1nnk s ILE 67 CO 0.00 0.50 0.59 0.26 -1.23 0.00 0.00 174.94 175.05 1nnk s TRP 68 N -1.18 3.69 0.14 3.97 0.52 -1.26 -1.10 118.94 123.71 1nnk s TRP 68 Ca 0.37 1.20 0.01 0.00 0.02 0.00 0.00 56.10 57.70 1nnk s TRP 68 Cb -0.23 -2.59 0.01 0.00 -1.15 0.00 0.00 33.47 29.51 1nnk s TRP 68 CO 0.26 0.37 0.09 0.27 0.02 0.00 0.00 176.95 177.97 1nnk n ASN 69 N 2.65 1.56 0.00 2.95 0.23 -0.58 -4.23 115.26 117.84 1nnk n ASN 69 Ca -0.07 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 1nnk n ASN 69 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1nnk n ASN 69 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nnk n GLY 70 N 3.30 0.57 0.29 4.83 0.00 -1.26 -1.41 105.19 111.52 1nnk n GLY 70 Ca -0.01 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 1nnk n GLY 70 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nnk h MET 71 N 0.00 0.89 -0.60 1.61 2.86 -0.40 -2.24 114.93 117.05 1nnk h MET 71 Ca 0.00 -0.28 0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1nnk h MET 71 Cb 0.00 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 1nnk h MET 71 CO 0.00 0.92 0.33 0.28 1.06 0.00 0.00 176.91 179.50 1nnk h VAL 72 N 0.81 0.98 -0.75 -2.22 2.07 -1.46 -1.66 116.25 114.02 1nnk h VAL 72 Ca 0.14 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1nnk h VAL 72 Cb 0.56 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1nnk h VAL 72 CO 0.03 0.11 0.46 1.23 0.02 0.00 0.00 177.57 179.43 1nnk h GLY 73 N 0.63 1.09 1.20 2.17 0.00 -0.74 -0.12 103.07 107.30 1nnk h GLY 73 Ca 0.26 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.29 1nnk h GLY 73 CO -0.16 0.26 0.46 0.83 0.00 0.00 0.00 176.54 177.93 1nnk h GLU 74 N 0.87 0.83 0.05 4.80 4.39 -0.75 -0.17 114.58 124.60 1nnk h GLU 74 Ca 0.31 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.81 1nnk h GLU 74 Cb 0.08 -0.19 0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1nnk h GLU 74 CO -0.14 0.55 -0.64 -0.07 -1.16 0.00 0.00 179.01 177.55 1nnk h LEU 75 N 0.85 0.47 -0.87 1.33 3.38 -0.88 0.32 115.31 119.92 1nnk h LEU 75 Ca 0.28 -0.84 0.03 0.00 0.09 0.00 0.00 57.88 57.44 1nnk h LEU 75 Cb 0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1nnk h LEU 75 CO -0.08 1.26 0.57 0.58 0.09 0.00 0.00 178.44 180.86 1nnk h VAL 76 N -0.25 1.17 -0.39 1.22 2.07 -0.79 -2.85 116.25 116.42 1nnk h VAL 76 Ca -0.09 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1nnk h VAL 76 Cb 1.40 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1nnk h VAL 76 CO 0.12 0.20 0.00 -1.22 0.02 0.00 0.00 177.57 176.70 1nnk n TYR 77 N -4.52 0.52 -0.93 1.57 4.01 -0.10 -4.94 117.16 112.77 1nnk n TYR 77 Ca 0.10 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1nnk n TYR 77 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1nnk n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nnk n GLY 78 N 1.29 0.51 0.18 2.72 0.00 -1.08 -4.95 105.19 103.87 1nnk n GLY 78 Ca 0.17 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1nnk n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nnk h LYS 79 N 0.94 0.00 -4.22 1.61 1.79 -0.66 -3.46 116.57 112.57 1nnk h LYS 79 Ca 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 1nnk h LYS 79 Cb 0.00 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 30.46 1nnk h LYS 79 CO 0.00 0.32 -0.70 0.00 -1.08 0.00 0.00 179.45 177.99 1nnk s ALA 80 N -3.18 0.39 -0.14 3.86 0.00 -0.74 -4.97 121.76 116.98 1nnk s ALA 80 Ca 0.04 -0.87 0.19 0.00 0.00 0.00 0.00 51.96 51.32 1nnk s ALA 80 Cb 0.08 0.17 -0.15 0.00 0.00 0.00 0.00 23.12 23.21 1nnk s ALA 80 CO 0.70 -0.20 0.73 -0.25 0.00 0.00 0.00 175.76 176.74 1nnk n ASP 81 N 1.01 0.63 -3.58 0.00 8.00 -0.07 -4.47 116.55 118.07 1nnk n ASP 81 Ca -0.20 0.27 -0.16 0.00 0.71 0.00 0.00 54.79 55.40 1nnk n ASP 81 Cb 0.57 0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 42.21 1nnk n ASP 81 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1nnk s ILE 82 N -3.06 0.01 -0.16 0.53 2.07 -1.03 -4.19 121.20 115.36 1nnk s ILE 82 Ca -0.04 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 1nnk s ILE 82 Cb 0.09 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.76 1nnk s ILE 82 CO 0.82 -0.04 -0.15 0.00 -1.91 0.00 0.00 174.94 173.66 1nnk s ALA 83 N -0.89 2.49 -0.32 1.50 0.00 0.70 -0.64 121.76 124.60 1nnk s ALA 83 Ca -0.09 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1nnk s ALA 83 Cb -0.02 -1.24 0.09 0.00 0.00 0.00 0.00 23.12 21.95 1nnk s ALA 83 CO 0.07 -0.08 0.01 0.42 0.00 0.00 0.00 175.76 176.18 1nnk s ILE 84 N 0.90 2.13 0.17 0.00 1.01 -0.91 -1.84 121.20 122.66 1nnk s ILE 84 Ca -0.04 -2.09 -0.23 0.00 0.00 0.00 0.00 60.65 58.29 1nnk s ILE 84 Cb -0.15 -2.49 0.07 0.00 0.01 0.00 0.00 42.46 39.90 1nnk s ILE 84 CO -0.01 -0.46 1.03 0.00 0.00 0.00 0.00 174.94 175.49 1nnk s ALA 85 N 1.01 -1.64 -1.41 9.38 0.00 -1.26 -4.59 121.76 123.25 1nnk s ALA 85 Ca 0.06 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.71 1nnk s ALA 85 Cb -0.19 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.66 1nnk s ALA 85 CO -0.08 -1.06 2.23 -0.35 0.00 0.00 0.00 175.76 176.50 1nnk n PRO 86 N -0.63 2.77 -3.62 0.00 -0.04 -1.26 -4.72 135.00 127.51 1nnk n PRO 86 Ca -0.04 -2.53 -0.38 0.00 -0.04 0.00 0.00 63.50 60.52 1nnk n PRO 86 Cb 0.60 -3.24 -0.11 0.00 -0.04 0.00 0.00 33.50 30.70 1nnk n PRO 86 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1nnk s LEU 87 N 2.05 3.91 0.12 1.53 2.96 -1.26 -5.04 118.68 122.95 1nnk s LEU 87 Ca 0.49 -0.05 -0.30 0.00 -0.22 0.00 0.00 54.13 54.05 1nnk s LEU 87 Cb 0.14 -2.08 -0.07 0.00 0.50 0.00 0.00 46.19 44.68 1nnk s LEU 87 CO -0.07 -0.05 1.13 -0.89 -1.32 0.00 0.00 176.35 175.15 1nnk s THR 88 N 1.72 4.00 -0.16 3.68 2.01 -1.26 -2.08 115.64 123.55 1nnk s THR 88 Ca 0.07 1.59 -0.29 0.00 0.31 0.00 0.00 61.69 63.36 1nnk s THR 88 Cb -0.16 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 1nnk s THR 88 CO 0.10 0.21 1.18 -0.63 -0.69 0.00 0.00 174.62 174.79 1nnk s ILE 89 N 0.30 4.40 0.03 1.82 1.01 -0.09 -4.90 121.20 123.77 1nnk s ILE 89 Ca 0.53 1.70 -0.01 0.00 0.00 0.00 0.00 60.65 62.87 1nnk s ILE 89 Cb -0.29 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 1nnk s ILE 89 CO 0.32 -0.12 -0.02 0.42 0.00 0.00 0.00 174.94 175.55 1nnk s THR 90 N 3.12 0.15 0.15 2.92 -4.23 -1.26 -4.66 115.64 111.83 1nnk s THR 90 Ca 0.52 -1.22 -0.23 0.00 -1.18 0.00 0.00 61.69 59.58 1nnk s THR 90 Cb -0.20 -0.72 0.02 0.00 1.34 0.00 0.00 72.50 72.94 1nnk s THR 90 CO 0.14 -0.67 1.62 0.25 -0.54 0.00 0.00 174.62 175.42 1nnk h LEU 91 N 4.09 -0.85 -1.53 4.79 5.85 -1.98 0.28 115.31 125.96 1nnk h LEU 91 Ca -0.33 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1nnk h LEU 91 Cb 1.19 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 1nnk h LEU 91 CO 0.50 -0.30 0.24 -0.37 -0.34 0.00 0.00 178.44 178.17 1nnk h VAL 92 N -0.28 1.12 -0.07 1.05 -1.51 -2.00 -2.21 116.25 112.34 1nnk h VAL 92 Ca 0.13 -0.29 -0.23 0.00 -1.23 0.00 0.00 66.70 65.08 1nnk h VAL 92 Cb 0.49 0.55 0.01 0.00 -2.13 0.00 0.00 31.29 30.20 1nnk h VAL 92 CO -0.39 0.13 -0.88 0.03 -1.23 0.00 0.00 177.57 175.23 1nnk h ARG 93 N 0.57 0.65 0.00 5.19 3.08 -1.82 -3.18 114.38 118.87 1nnk h ARG 93 Ca 0.15 -0.60 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 1nnk h ARG 93 Cb -0.01 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1nnk h ARG 93 CO -0.03 1.21 -0.00 1.49 -1.07 0.00 0.00 179.97 181.57 1nnk h GLU 94 N 0.41 0.00 0.00 0.04 4.57 -0.37 0.38 114.58 119.61 1nnk h GLU 94 Ca -0.08 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.04 1nnk h GLU 94 Cb 1.51 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 1nnk h GLU 94 CO 0.17 0.00 -0.28 0.93 -1.18 0.00 0.00 179.01 178.65 1nnk h GLU 95 N 0.00 0.00 0.00 1.92 5.08 -1.42 -3.36 114.58 116.80 1nnk h GLU 95 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nnk h GLU 95 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1nnk h GLU 95 CO 0.00 0.28 -1.25 1.33 -1.00 0.00 0.00 179.01 178.38 1nnk n VAL 96 N -3.38 0.00 -4.21 3.13 0.24 -0.14 -5.06 118.33 108.90 1nnk n VAL 96 Ca 0.00 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 1nnk n VAL 96 Cb 0.49 0.39 -0.10 0.00 -1.47 0.00 0.00 33.84 33.14 1nnk n VAL 96 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1nnk s ILE 97 N -2.42 0.39 -0.10 1.34 -4.36 -0.06 -4.05 121.20 111.94 1nnk s ILE 97 Ca -0.02 -1.96 -0.04 0.00 -0.26 0.00 0.00 60.65 58.38 1nnk s ILE 97 Cb 0.04 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 1nnk s ILE 97 CO 0.28 -0.38 0.05 -1.81 0.24 0.00 0.00 174.94 173.32 1nnk s ASP 98 N -3.14 5.64 0.10 4.36 1.01 0.61 -4.29 116.67 120.96 1nnk s ASP 98 Ca 0.27 0.26 0.10 0.00 0.71 0.00 0.00 52.55 53.88 1nnk s ASP 98 Cb 0.07 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 42.28 1nnk s ASP 98 CO 0.05 0.39 -0.23 -0.36 0.21 0.00 0.00 175.17 175.22 1nnk s PHE 99 N -0.94 2.41 0.88 4.23 0.40 -1.26 -0.49 117.98 123.21 1nnk s PHE 99 Ca 0.14 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 56.00 1nnk s PHE 99 Cb -0.12 -1.34 0.13 0.00 0.51 0.00 0.00 43.02 42.21 1nnk s PHE 99 CO 0.03 0.30 1.21 -1.54 0.70 0.00 0.00 175.22 175.92 1nnk s SER 100 N -1.82 3.82 0.67 1.36 1.04 0.06 -4.93 113.70 113.90 1nnk s SER 100 Ca 0.15 0.65 -0.17 0.00 0.48 0.00 0.00 55.95 57.06 1nnk s SER 100 Cb -0.10 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1nnk s SER 100 CO 0.06 -2.33 1.28 -0.54 0.98 0.00 0.00 173.24 172.69 1nnk s LYS 101 N -5.62 2.40 0.18 4.02 -0.14 -1.26 -4.56 119.74 114.77 1nnk s LYS 101 Ca 0.66 2.00 -0.33 0.00 -1.36 0.00 0.00 55.97 56.94 1nnk s LYS 101 Cb -0.09 -1.84 -0.14 0.00 -1.68 0.00 0.00 37.83 34.08 1nnk s LYS 101 CO 0.51 -1.70 1.41 -2.30 -0.76 0.00 0.00 175.35 172.51 1nnk n PRO 102 N -2.14 1.80 0.00 -1.68 -0.02 -1.26 -4.61 135.00 127.09 1nnk n PRO 102 Ca 0.15 0.64 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 1nnk n PRO 102 Cb 0.49 -2.31 0.08 0.00 -0.02 0.00 0.00 33.50 31.74 1nnk n PRO 102 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1nnk n PHE 103 N 2.35 0.03 -3.74 6.00 1.16 0.10 -4.90 117.46 118.48 1nnk n PHE 103 Ca 0.15 0.01 -0.13 0.00 -1.87 0.00 0.00 57.45 55.60 1nnk n PHE 103 Cb 0.28 -0.18 -0.10 0.00 -1.61 0.00 0.00 39.48 37.87 1nnk n PHE 103 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1nnk s MET 104 N -3.03 0.46 0.02 3.97 0.00 -1.24 -5.00 119.30 114.50 1nnk s MET 104 Ca 0.09 0.54 0.01 0.00 0.00 0.00 0.00 55.69 56.33 1nnk s MET 104 Cb 0.17 0.23 -0.04 0.00 0.00 0.00 0.00 34.83 35.18 1nnk s MET 104 CO 0.78 -0.06 0.07 0.45 0.00 0.00 0.00 175.02 176.26 1nnk s SER 105 N 0.20 5.55 0.01 1.11 0.15 -1.26 -1.45 113.70 118.00 1nnk s SER 105 Ca -0.00 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 1nnk s SER 105 Cb -0.03 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1nnk s SER 105 CO 0.01 0.24 0.03 0.00 1.20 0.00 0.00 173.24 174.72 1nnk n LEU 106 N 0.98 0.00 -3.74 3.45 -0.00 -0.27 -4.91 117.00 112.51 1nnk n LEU 106 Ca -0.12 -0.06 -0.09 0.00 -0.00 0.00 0.00 56.01 55.74 1nnk n LEU 106 Cb 0.52 0.11 -0.02 0.00 -0.00 0.00 0.00 43.42 44.03 1nnk n LEU 106 CO 0.39 -0.02 0.42 -0.83 -0.00 0.00 0.00 177.39 177.36 1nnk s GLY 107 N -1.50 -0.21 0.22 1.47 0.00 -1.26 -0.26 107.32 105.78 1nnk s GLY 107 Ca 0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 1nnk s GLY 107 CO 0.00 -0.06 1.11 -0.42 0.00 0.00 0.00 173.10 173.74 1nnk s ILE 108 N -3.87 3.68 0.19 0.90 1.01 -1.20 -0.12 121.20 121.79 1nnk s ILE 108 Ca 0.09 1.53 -0.00 0.00 0.00 0.00 0.00 60.65 62.26 1nnk s ILE 108 Cb -0.04 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1nnk s ILE 108 CO 0.01 0.30 0.08 -0.94 0.00 0.00 0.00 174.94 174.39 1nnk s SER 109 N -0.37 0.55 -0.15 3.58 1.04 0.66 0.31 113.70 119.31 1nnk s SER 109 Ca 0.48 -1.31 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 1nnk s SER 109 Cb -0.31 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1nnk s SER 109 CO 0.37 -0.75 -0.01 -0.63 0.98 0.00 0.00 173.24 173.20 1nnk s ILE 110 N -3.98 4.14 -0.17 -1.02 1.01 -1.25 -1.50 121.20 118.43 1nnk s ILE 110 Ca 0.32 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 1nnk s ILE 110 Cb 0.07 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1nnk s ILE 110 CO 0.08 0.50 -0.01 -0.32 0.00 0.00 0.00 174.94 175.19 1nnk s MET 111 N 0.23 3.70 0.17 2.79 -2.45 0.13 -1.29 119.30 122.58 1nnk s MET 111 Ca -0.01 -0.49 0.04 0.00 -1.25 0.00 0.00 55.69 53.98 1nnk s MET 111 Cb -0.13 -3.01 -0.05 0.00 1.25 0.00 0.00 34.83 32.89 1nnk s MET 111 CO 0.02 0.18 -0.08 0.96 1.05 0.00 0.00 175.02 177.15 1nnk s ILE 112 N 0.54 1.16 0.27 10.11 -4.36 -0.45 -0.58 121.20 127.88 1nnk s ILE 112 Ca -0.02 -2.06 -0.30 0.00 -0.26 0.00 0.00 60.65 58.02 1nnk s ILE 112 Cb -0.14 -1.96 -0.09 0.00 1.25 0.00 0.00 42.46 41.52 1nnk s ILE 112 CO 0.02 -0.65 1.04 -0.75 0.24 0.00 0.00 174.94 174.84 1nnk s LYS 113 N -3.77 4.72 0.17 0.37 2.20 -1.26 -0.72 119.74 121.45 1nnk s LYS 113 Ca 0.19 1.67 -0.34 0.00 -0.36 0.00 0.00 55.97 57.14 1nnk s LYS 113 Cb 0.03 -3.21 -0.14 0.00 -1.51 0.00 0.00 37.83 33.00 1nnk s LYS 113 CO 0.02 0.33 1.52 1.63 -0.36 0.00 0.00 175.35 178.49 1nnk n LYS 114 N 1.28 2.04 0.00 4.03 5.02 0.33 -1.64 118.16 129.22 1nnk n LYS 114 Ca -0.01 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1nnk n LYS 114 Cb 0.46 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 1nnk n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nnk n GLY 115 N 3.06 2.82 3.72 0.72 0.00 -1.26 -4.98 105.19 109.28 1nnk n GLY 115 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1nnk n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nnk s THR 116 N -2.70 2.18 -1.36 2.61 2.01 -0.65 -4.87 115.64 112.86 1nnk s THR 116 Ca 0.00 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.94 1nnk s THR 116 Cb 0.00 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1nnk s THR 116 CO 0.00 0.01 2.17 -0.81 -0.69 0.00 0.00 174.62 175.30 1nnk n PRO 117 N 4.21 2.68 -3.78 4.92 -0.04 -1.26 -4.81 135.00 136.91 1nnk n PRO 117 Ca 0.16 -2.53 -0.13 0.00 -0.04 0.00 0.00 63.50 60.96 1nnk n PRO 117 Cb 0.36 -3.25 -0.14 0.00 -0.04 0.00 0.00 33.50 30.43 1nnk n PRO 117 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nnk s ILE 118 N 3.52 -0.03 0.00 0.52 -1.09 -1.26 -5.01 121.20 117.85 1nnk s ILE 118 Ca 0.49 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1nnk s ILE 118 Cb 0.14 -0.21 0.00 0.00 -1.58 0.00 0.00 42.46 40.81 1nnk s ILE 118 CO -0.05 0.05 0.14 1.21 -1.23 0.00 0.00 174.94 175.05 1nnk n GLU 119 N 3.77 2.55 -3.78 2.79 2.13 -1.26 -4.92 120.64 121.91 1nnk n GLU 119 Ca -0.21 -0.14 -0.04 0.00 0.66 0.00 0.00 57.16 57.43 1nnk n GLU 119 Cb 0.54 -0.55 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1nnk n GLU 119 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1nnk s SER 120 N -0.40 -0.14 0.31 4.31 1.04 -1.26 -2.76 113.70 114.79 1nnk s SER 120 Ca 0.00 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1nnk s SER 120 Cb 0.00 0.52 0.52 0.00 0.10 0.00 0.00 66.02 67.16 1nnk s SER 120 CO 0.00 -0.98 1.82 0.00 0.98 0.00 0.00 173.24 175.07 1nnk h ALA 121 N 2.00 1.27 -0.58 5.32 0.00 -1.93 -2.28 119.26 123.05 1nnk h ALA 121 Ca -0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1nnk h ALA 121 Cb 1.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1nnk h ALA 121 CO 0.28 0.48 0.34 0.93 0.00 0.00 0.00 179.25 181.28 1nnk h GLU 122 N 0.51 0.80 -0.25 0.00 3.07 -1.95 -0.90 114.58 115.86 1nnk h GLU 122 Ca 0.10 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1nnk h GLU 122 Cb 0.43 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1nnk h GLU 122 CO 0.02 0.59 0.16 -0.44 -1.40 0.00 0.00 179.01 177.95 1nnk h ASP 123 N 0.79 0.28 -0.42 1.42 3.32 -1.83 -2.34 116.42 117.64 1nnk h ASP 123 Ca 0.21 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.28 1nnk h ASP 123 Cb 0.01 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1nnk h ASP 123 CO -0.04 0.20 0.23 -0.07 -1.72 0.00 0.00 179.24 177.85 1nnk h LEU 124 N 0.34 0.36 -1.93 1.55 3.38 -1.12 -2.88 115.31 115.01 1nnk h LEU 124 Ca 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1nnk h LEU 124 Cb -0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1nnk h LEU 124 CO -0.02 0.26 -0.10 0.77 0.09 0.00 0.00 178.44 179.44 1nnk h SER 125 N 0.47 0.00 -0.88 -0.43 4.64 -0.92 -3.03 113.55 113.40 1nnk h SER 125 Ca 0.17 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.99 1nnk h SER 125 Cb 0.05 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.86 1nnk h SER 125 CO -0.10 0.10 0.53 0.29 -0.87 0.00 0.00 176.83 176.77 1nnk n LYS 126 N -3.50 2.33 -3.74 4.77 5.02 -0.90 -4.90 118.16 117.24 1nnk n LYS 126 Ca -0.02 -3.15 -0.09 0.00 -2.02 0.00 0.00 58.31 53.04 1nnk n LYS 126 Cb 0.24 -2.15 -0.02 0.00 -0.02 0.00 0.00 35.03 33.08 1nnk n LYS 126 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1nnk s GLN 127 N -3.42 1.59 0.00 1.97 1.03 -1.14 -5.03 119.66 114.65 1nnk s GLN 127 Ca 0.56 -0.85 0.00 0.00 0.04 0.00 0.00 55.36 55.11 1nnk s GLN 127 Cb 0.47 0.59 0.00 0.00 0.03 0.00 0.00 33.01 34.10 1nnk s GLN 127 CO 0.06 -0.71 0.00 2.41 -2.54 0.00 0.00 175.29 174.51 1nnk n THR 128 N -0.42 0.00 -0.17 3.63 -1.04 -1.26 -4.79 114.28 110.23 1nnk n THR 128 Ca -0.08 -0.10 0.06 0.00 -2.04 0.00 0.00 64.05 61.88 1nnk n THR 128 Cb 0.61 0.57 0.35 0.00 -1.82 0.00 0.00 70.33 70.04 1nnk n THR 128 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1nnk h GLU 129 N 0.00 0.75 -4.69 -2.82 4.57 -1.97 -3.37 114.58 107.05 1nnk h GLU 129 Ca 0.00 -0.04 -0.69 0.00 -1.18 0.00 0.00 59.36 57.45 1nnk h GLU 129 Cb 0.00 -0.17 -0.23 0.00 -0.16 0.00 0.00 28.75 28.19 1nnk h GLU 129 CO 0.00 0.49 -0.53 0.42 -1.18 0.00 0.00 179.01 178.22 1nnk s ILE 130 N -5.68 4.69 0.65 2.32 1.01 -1.26 -4.85 121.20 118.08 1nnk s ILE 130 Ca -0.10 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 1nnk s ILE 130 Cb 0.19 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1nnk s ILE 130 CO 0.77 -0.08 1.05 0.00 0.00 0.00 0.00 174.94 176.69 1nnk s ALA 131 N 1.60 2.75 -0.14 9.38 0.00 0.21 -4.85 121.76 130.72 1nnk s ALA 131 Ca 0.04 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.93 1nnk s ALA 131 Cb -0.18 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.82 1nnk s ALA 131 CO 0.07 -1.02 0.57 1.52 0.00 0.00 0.00 175.76 176.90 1nnk s TYR 132 N -2.89 -0.57 0.00 0.00 1.13 -1.26 -0.46 117.35 113.30 1nnk s TYR 132 Ca 0.59 1.25 0.00 0.00 -1.41 0.00 0.00 57.07 57.50 1nnk s TYR 132 Cb -0.14 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.97 1nnk s TYR 132 CO 0.49 -0.40 0.00 0.41 -2.51 0.00 0.00 175.55 173.54 1nnk n GLY 133 N 2.05 3.07 2.09 5.49 0.00 -1.01 -4.81 105.19 112.07 1nnk n GLY 133 Ca -0.16 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 1nnk n GLY 133 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1nnk n THR 134 N 0.00 0.00 -2.62 2.61 5.66 -1.22 -0.90 114.28 117.81 1nnk n THR 134 Ca 0.00 -1.07 -0.41 0.00 -3.05 0.00 0.00 64.05 59.52 1nnk n THR 134 Cb 0.00 0.67 -0.04 0.00 -1.55 0.00 0.00 70.33 69.41 1nnk n THR 134 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1nnk s LEU 135 N 0.00 4.46 0.43 1.09 2.96 -1.26 -2.01 118.68 124.34 1nnk s LEU 135 Ca 0.17 1.88 -0.24 0.00 -0.22 0.00 0.00 54.13 55.73 1nnk s LEU 135 Cb -0.01 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1nnk s LEU 135 CO 0.13 -0.20 1.12 1.51 -1.32 0.00 0.00 176.35 177.59 1nnk s ASP 136 N 0.28 6.45 -1.61 3.68 -4.77 0.18 -3.45 116.67 117.43 1nnk s ASP 136 Ca 0.50 2.22 0.00 0.00 -3.30 0.00 0.00 52.55 51.97 1nnk s ASP 136 Cb -0.25 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 38.98 1nnk s ASP 136 CO 0.31 -0.72 0.00 -1.20 0.70 0.00 0.00 175.17 174.26 1nnk n SER 137 N -0.23 -5.35 -4.63 2.11 7.64 -1.26 -4.81 113.62 107.10 1nnk n SER 137 Ca 0.06 0.02 -0.28 0.00 1.01 0.00 0.00 58.87 59.68 1nnk n SER 137 Cb 0.48 -4.42 -0.11 0.00 -1.01 0.00 0.00 64.21 59.16 1nnk n SER 137 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1nnk s GLY 138 N -2.21 2.47 0.37 0.23 0.00 -1.22 -1.64 107.32 105.31 1nnk s GLY 138 Ca 0.00 -2.27 0.14 0.00 0.00 0.00 0.00 44.72 42.59 1nnk s GLY 138 CO 0.00 -2.08 1.81 1.48 0.00 0.00 0.00 173.10 174.31 1nnk h SER 139 N 1.76 0.00 -0.23 1.64 4.64 -1.89 -2.45 113.55 117.02 1nnk h SER 139 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1nnk h SER 139 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1nnk h SER 139 CO 0.79 0.39 0.01 0.74 -0.87 0.00 0.00 176.83 177.89 1nnk h THR 140 N 0.00 1.24 -0.46 2.95 2.02 -1.96 0.16 112.91 116.86 1nnk h THR 140 Ca -0.00 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1nnk h THR 140 Cb 0.72 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1nnk h THR 140 CO 0.05 0.26 0.25 0.50 0.37 0.00 0.00 175.52 176.95 1nnk h LYS 141 N 0.17 0.64 0.00 6.66 3.64 -1.73 -1.49 116.57 124.47 1nnk h LYS 141 Ca 0.07 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1nnk h LYS 141 Cb 0.37 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1nnk h LYS 141 CO 0.01 0.51 -0.30 1.49 -2.27 0.00 0.00 179.45 178.89 1nnk h GLU 142 N 0.60 0.00 -0.16 1.90 4.57 -1.25 0.12 114.58 120.37 1nnk h GLU 142 Ca 0.16 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1nnk h GLU 142 Cb 0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1nnk h GLU 142 CO -0.03 0.30 0.08 0.35 -1.18 0.00 0.00 179.01 178.53 1nnk h PHE 143 N 0.00 0.23 -0.33 0.92 3.57 0.18 -1.59 116.94 119.92 1nnk h PHE 143 Ca -0.00 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1nnk h PHE 143 Cb 0.56 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1nnk h PHE 143 CO 0.00 0.26 -0.36 0.74 -2.23 0.00 0.00 178.31 176.72 1nnk h PHE 144 N 0.14 0.89 -0.76 0.41 0.04 -0.75 -1.69 116.94 115.22 1nnk h PHE 144 Ca 0.06 -0.25 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 1nnk h PHE 144 Cb 0.11 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.03 1nnk h PHE 144 CO -0.03 1.00 0.40 -0.09 -0.60 0.00 0.00 178.31 178.99 1nnk h ARG 145 N 0.63 1.06 -0.00 1.51 2.43 -0.57 -3.01 114.38 116.43 1nnk h ARG 145 Ca 0.06 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1nnk h ARG 145 Cb 0.90 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1nnk h ARG 145 CO 0.08 0.79 -0.67 0.54 -1.51 0.00 0.00 179.97 179.20 1nnk n ARG 146 N -4.34 0.23 -2.32 0.20 5.12 -0.62 -4.97 116.66 109.96 1nnk n ARG 146 Ca 0.08 -0.17 -0.41 0.00 -1.93 0.00 0.00 57.85 55.41 1nnk n ARG 146 Cb 0.11 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.88 1nnk n ARG 146 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1nnk s SER 147 N -2.89 7.02 0.00 0.55 0.15 -0.64 -4.92 113.70 112.98 1nnk s SER 147 Ca 0.12 2.29 0.14 0.00 0.70 0.00 0.00 55.95 59.19 1nnk s SER 147 Cb 0.17 -2.61 0.16 0.00 -1.71 0.00 0.00 66.02 62.03 1nnk s SER 147 CO 0.73 -0.42 1.01 0.29 1.20 0.00 0.00 173.24 176.05 1nnk n LYS 148 N 2.56 1.26 -1.99 5.44 5.02 -1.26 -4.23 118.16 124.96 1nnk n LYS 148 Ca 0.05 -1.48 -0.42 0.00 -2.02 0.00 0.00 58.31 54.45 1nnk n LYS 148 Cb 0.44 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 1nnk n LYS 148 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1nnk s ILE 149 N -1.13 2.66 0.06 -0.18 1.01 -1.26 -4.79 121.20 117.57 1nnk s ILE 149 Ca 0.18 0.52 -0.12 0.00 0.00 0.00 0.00 60.65 61.24 1nnk s ILE 149 Cb 0.12 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1nnk s ILE 149 CO 0.18 0.07 1.21 0.00 0.00 0.00 0.00 174.94 176.39 1nnk h ALA 150 N 5.61 -0.22 -0.73 9.38 0.00 -1.99 0.22 119.26 131.53 1nnk h ALA 150 Ca -0.45 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.59 1nnk h ALA 150 Cb 1.21 1.14 -0.07 0.00 0.00 0.00 0.00 17.79 20.07 1nnk h ALA 150 CO 0.82 -0.38 0.39 0.28 0.00 0.00 0.00 179.25 180.36 1nnk h VAL 151 N -0.00 0.88 -0.06 0.00 2.07 -1.99 -0.92 116.25 116.23 1nnk h VAL 151 Ca 0.06 -0.23 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 1nnk h VAL 151 Cb 0.16 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1nnk h VAL 151 CO -0.36 0.12 -0.72 -0.26 0.02 0.00 0.00 177.57 176.38 1nnk h PHE 152 N 0.66 0.40 -0.57 1.57 0.04 -1.81 -1.96 116.94 115.27 1nnk h PHE 152 Ca 0.35 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 1nnk h PHE 152 Cb 0.34 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1nnk h PHE 152 CO -0.09 0.91 0.10 0.22 -0.60 0.00 0.00 178.31 178.85 1nnk h ASP 153 N 0.20 0.91 -0.75 2.17 1.82 -0.17 -0.62 116.42 119.99 1nnk h ASP 153 Ca -0.02 -0.26 -0.06 0.00 -0.39 0.00 0.00 57.03 56.30 1nnk h ASP 153 Cb 1.28 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 41.01 1nnk h ASP 153 CO 0.12 0.94 0.23 0.50 -1.61 0.00 0.00 179.24 179.41 1nnk h LYS 154 N 0.85 1.17 -0.49 0.28 3.64 -1.05 -0.63 116.57 120.34 1nnk h LYS 154 Ca 0.17 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 1nnk h LYS 154 Cb 0.41 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1nnk h LYS 154 CO 0.01 0.99 -0.14 0.52 -2.27 0.00 0.00 179.45 178.56 1nnk h MET 155 N 1.12 0.93 -0.47 1.90 2.86 -1.11 -2.27 114.93 117.88 1nnk h MET 155 Ca 0.24 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1nnk h MET 155 Cb 0.32 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1nnk h MET 155 CO -0.01 1.00 0.08 2.35 1.06 0.00 0.00 176.91 181.39 1nnk h TRP 156 N 0.82 0.83 -0.84 -0.22 2.91 -0.72 -0.08 115.95 118.65 1nnk h TRP 156 Ca 0.13 -0.12 0.06 0.00 1.13 0.00 0.00 58.89 60.09 1nnk h TRP 156 Cb 0.68 -0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 29.04 1nnk h TRP 156 CO 0.04 0.77 0.51 1.15 -1.03 0.00 0.00 178.44 179.89 1nnk h THR 157 N 0.65 1.03 0.03 2.65 2.02 -1.02 0.18 112.91 118.44 1nnk h THR 157 Ca 0.14 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1nnk h THR 157 Cb 0.39 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1nnk h THR 157 CO 0.01 0.17 -0.01 0.22 0.37 0.00 0.00 175.52 176.28 1nnk h TYR 158 N 0.94 -0.03 -0.35 3.16 3.20 -0.99 -3.31 116.97 119.58 1nnk h TYR 158 Ca 0.37 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 1nnk h TYR 158 Cb 0.18 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1nnk h TYR 158 CO -0.04 0.28 0.15 0.52 -1.64 0.00 0.00 178.16 177.43 1nnk h MET 159 N -0.35 0.51 -0.11 1.82 2.86 -0.55 -1.34 114.93 117.77 1nnk h MET 159 Ca -0.00 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1nnk h MET 159 Cb 0.33 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1nnk h MET 159 CO 0.01 0.49 0.14 0.07 1.06 0.00 0.00 176.91 178.67 1nnk h ARG 160 N 0.42 0.00 -0.00 1.72 0.11 -1.07 -2.68 114.38 112.88 1nnk h ARG 160 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1nnk h ARG 160 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1nnk h ARG 160 CO -0.01 0.00 -0.06 0.43 0.10 0.00 0.00 179.97 180.43 1nnk n SER 161 N -3.72 1.09 -4.74 0.08 7.64 -1.15 -5.06 113.62 107.77 1nnk n SER 161 Ca -0.00 -1.05 -0.38 0.00 1.01 0.00 0.00 58.87 58.45 1nnk n SER 161 Cb 0.25 0.27 0.05 0.00 -1.01 0.00 0.00 64.21 63.76 1nnk n SER 161 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nnk s ALA 162 N -0.68 2.72 -0.03 -0.43 0.00 -0.52 -5.02 121.76 117.81 1nnk s ALA 162 Ca 0.05 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 53.34 1nnk s ALA 162 Cb 0.04 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1nnk s ALA 162 CO 0.09 -1.46 0.02 -1.21 0.00 0.00 0.00 175.76 173.21 1nnk s GLU 163 N -3.01 0.10 0.80 0.00 0.41 -1.26 -3.55 118.70 112.19 1nnk s GLU 163 Ca 0.74 0.18 -0.11 0.00 -0.41 0.00 0.00 54.97 55.36 1nnk s GLU 163 Cb -0.40 -0.40 0.07 0.00 -1.78 0.00 0.00 34.13 31.62 1nnk s GLU 163 CO 0.47 -0.19 1.12 -2.14 -0.49 0.00 0.00 175.26 174.03 1nnk s PRO 164 N 1.27 1.94 0.18 0.39 0.02 -1.26 -5.05 135.00 132.48 1nnk s PRO 164 Ca -0.06 1.38 -0.33 0.00 0.02 0.00 0.00 61.00 62.01 1nnk s PRO 164 Cb -0.13 -1.85 -0.15 0.00 0.02 0.00 0.00 34.50 32.39 1nnk s PRO 164 CO -0.03 -1.92 1.21 0.45 -0.33 0.00 0.00 177.00 176.39 1nnk n SER 165 N -3.50 1.59 -0.45 2.53 2.88 -1.23 -4.86 113.62 110.58 1nnk n SER 165 Ca 0.11 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.92 1nnk n SER 165 Cb 0.52 -1.25 0.44 0.00 -0.75 0.00 0.00 64.21 63.17 1nnk n SER 165 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1nnk n VAL 166 N 1.64 0.00 -3.37 2.46 0.24 -1.26 -4.90 118.33 113.13 1nnk n VAL 166 Ca 0.15 -0.23 -0.34 0.00 -2.04 0.00 0.00 64.34 61.88 1nnk n VAL 166 Cb 0.25 0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 33.13 1nnk n VAL 166 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1nnk s PHE 167 N -2.15 3.52 0.25 6.34 0.08 -1.26 -3.43 117.98 121.33 1nnk s PHE 167 Ca 0.33 0.99 0.11 0.00 0.12 0.00 0.00 56.93 58.48 1nnk s PHE 167 Cb 0.20 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 1nnk s PHE 167 CO 0.39 0.35 -0.18 0.14 -0.10 0.00 0.00 175.22 175.82 1nnk s VAL 168 N -1.63 2.22 -0.13 -0.44 -7.23 -0.85 -4.93 120.40 107.41 1nnk s VAL 168 Ca 0.42 -2.32 0.16 0.00 -1.81 0.00 0.00 61.98 58.44 1nnk s VAL 168 Cb -0.13 -2.20 -0.08 0.00 0.56 0.00 0.00 36.38 34.53 1nnk s VAL 168 CO 0.20 -0.45 1.01 0.03 -0.31 0.00 0.00 175.10 175.57 1nnk h ARG 169 N 2.42 0.00 -4.08 4.82 3.08 -1.91 0.54 114.38 119.25 1nnk h ARG 169 Ca -0.40 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.51 1nnk h ARG 169 Cb 1.24 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.12 1nnk h ARG 169 CO 0.60 0.35 -0.67 0.95 -1.07 0.00 0.00 179.97 180.13 1nnk s THR 170 N -2.95 0.16 0.27 2.04 -4.23 -1.26 -4.73 115.64 104.95 1nnk s THR 170 Ca -0.01 -1.34 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1nnk s THR 170 Cb 0.08 -0.91 0.27 0.00 1.34 0.00 0.00 72.50 73.28 1nnk s THR 170 CO 0.79 -0.74 1.91 0.74 -0.54 0.00 0.00 174.62 176.78 1nnk h THR 171 N 3.85 1.15 -0.88 3.99 2.02 -1.95 -1.55 112.91 119.53 1nnk h THR 171 Ca -0.33 -0.41 0.08 0.00 0.77 0.00 0.00 66.41 66.51 1nnk h THR 171 Cb 1.18 -0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.35 1nnk h THR 171 CO 0.54 0.22 0.54 0.00 0.37 0.00 0.00 175.52 177.18 1nnk h ALA 172 N 1.44 1.23 -0.23 6.16 0.00 -1.97 -0.16 119.26 125.74 1nnk h ALA 172 Ca 0.40 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 1nnk h ALA 172 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1nnk h ALA 172 CO -0.13 0.24 -0.46 0.93 0.00 0.00 0.00 179.25 179.83 1nnk h GLU 173 N 0.94 0.58 -0.27 0.00 4.39 -1.72 -1.04 114.58 117.46 1nnk h GLU 173 Ca 0.40 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 1nnk h GLU 173 Cb 0.25 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1nnk h GLU 173 CO -0.20 0.92 -0.02 0.78 -1.16 0.00 0.00 179.01 179.33 1nnk h GLY 174 N 1.04 0.53 1.01 -3.84 0.00 -0.60 -0.92 103.07 100.29 1nnk h GLY 174 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1nnk h GLY 174 CO 0.09 0.37 0.33 -2.08 0.00 0.00 0.00 176.54 175.25 1nnk h VAL 175 N 0.27 1.23 -0.55 4.60 2.07 -1.00 -0.56 116.25 122.31 1nnk h VAL 175 Ca 0.08 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1nnk h VAL 175 Cb 0.45 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1nnk h VAL 175 CO 0.02 0.26 0.16 0.00 0.02 0.00 0.00 177.57 178.03 1nnk h ALA 176 N 1.16 1.26 -0.34 1.67 0.00 -1.09 -0.02 119.26 121.90 1nnk h ALA 176 Ca 0.23 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1nnk h ALA 176 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nnk h ALA 176 CO -0.03 0.53 -0.40 -0.09 0.00 0.00 0.00 179.25 179.26 1nnk h ARG 177 N 0.80 0.83 -0.29 0.00 2.43 -0.73 -1.26 114.38 116.17 1nnk h ARG 177 Ca 0.18 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1nnk h ARG 177 Cb 0.25 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1nnk h ARG 177 CO -0.01 1.07 0.13 0.28 -1.51 0.00 0.00 179.97 179.93 1nnk h VAL 178 N 0.67 1.16 -0.21 0.20 2.07 -0.34 -1.83 116.25 117.98 1nnk h VAL 178 Ca 0.05 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1nnk h VAL 178 Cb 0.97 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1nnk h VAL 178 CO 0.09 0.17 0.03 0.03 0.02 0.00 0.00 177.57 177.91 1nnk h ARG 179 N 0.32 0.29 -0.02 1.57 3.08 -0.84 -3.03 114.38 115.76 1nnk h ARG 179 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1nnk h ARG 179 Cb 0.15 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1nnk h ARG 179 CO -0.01 0.29 -0.32 1.63 -1.07 0.00 0.00 179.97 180.49 1nnk n LYS 180 N -4.40 1.49 -0.05 0.04 4.01 -0.49 -4.38 118.16 114.38 1nnk n LYS 180 Ca 0.00 -1.21 0.12 0.00 -0.51 0.00 0.00 58.31 56.71 1nnk n LYS 180 Cb 0.16 -1.48 0.42 0.00 -0.51 0.00 0.00 35.03 33.62 1nnk n LYS 180 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1nnk n SER 181 N 0.30 1.69 -3.87 4.39 7.64 -0.70 -4.95 113.62 118.13 1nnk n SER 181 Ca 0.11 -1.65 -0.27 0.00 1.01 0.00 0.00 58.87 58.07 1nnk n SER 181 Cb 0.49 -0.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1nnk n SER 181 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1nnk n LYS 182 N 0.33 -4.95 -0.75 1.43 5.02 -1.26 -1.46 118.16 116.52 1nnk n LYS 182 Ca 0.17 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1nnk n LYS 182 Cb 0.35 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 1nnk n LYS 182 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nnk n GLY 183 N -1.67 0.99 0.81 0.72 0.00 -1.26 -4.92 105.19 99.86 1nnk n GLY 183 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1nnk n GLY 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nnk n LYS 184 N -2.00 2.04 -3.72 1.61 4.76 -0.54 -4.82 118.16 115.50 1nnk n LYS 184 Ca 0.00 -1.59 -0.15 0.00 -2.87 0.00 0.00 58.31 53.70 1nnk n LYS 184 Cb 0.00 -1.41 -0.15 0.00 -1.84 0.00 0.00 35.03 31.63 1nnk n LYS 184 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1nnk s TYR 185 N -1.57 -0.12 0.03 2.13 5.04 -1.25 -0.62 117.35 120.99 1nnk s TYR 185 Ca 0.33 0.44 0.05 0.00 -2.44 0.00 0.00 57.07 55.45 1nnk s TYR 185 Cb 0.18 -0.19 -0.03 0.00 0.35 0.00 0.00 41.96 42.27 1nnk s TYR 185 CO 0.26 -0.18 -0.09 0.00 -1.34 0.00 0.00 175.55 174.19 1nnk s ALA 186 N 1.54 2.93 -0.11 3.97 0.00 0.39 -4.52 121.76 125.96 1nnk s ALA 186 Ca -0.05 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1nnk s ALA 186 Cb -0.12 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1nnk s ALA 186 CO -0.05 0.61 -0.21 -0.47 0.00 0.00 0.00 175.76 175.64 1nnk s TYR 187 N -1.03 2.37 -0.23 0.00 5.04 0.26 -2.41 117.35 121.35 1nnk s TYR 187 Ca 0.18 -1.05 -0.19 0.00 -2.44 0.00 0.00 57.07 53.57 1nnk s TYR 187 Cb -0.11 -1.62 -0.03 0.00 0.35 0.00 0.00 41.96 40.55 1nnk s TYR 187 CO 0.08 -0.46 0.55 -0.51 -1.34 0.00 0.00 175.55 173.87 1nnk s LEU 188 N 0.60 4.10 0.33 6.97 1.43 -0.08 0.19 118.68 132.21 1nnk s LEU 188 Ca -0.14 0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 1nnk s LEU 188 Cb -0.17 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.34 1nnk s LEU 188 CO 0.04 -0.27 0.64 -1.48 0.23 0.00 0.00 176.35 175.51 1nnk s LEU 189 N 2.07 0.26 0.36 1.79 2.34 -0.56 -4.39 118.68 120.55 1nnk s LEU 189 Ca 0.24 -1.08 -0.26 0.00 0.06 0.00 0.00 54.13 53.09 1nnk s LEU 189 Cb -0.16 2.27 -0.09 0.00 -0.56 0.00 0.00 46.19 47.66 1nnk s LEU 189 CO 0.09 -1.42 1.12 -1.61 -1.06 0.00 0.00 176.35 173.47 1nnk s GLU 190 N -3.14 4.28 0.33 1.48 2.02 -1.26 -0.25 118.70 122.15 1nnk s GLU 190 Ca 0.20 1.74 0.08 0.00 0.02 0.00 0.00 54.97 57.01 1nnk s GLU 190 Cb -0.03 -2.81 0.80 0.00 0.10 0.00 0.00 34.13 32.19 1nnk s GLU 190 CO 0.12 -0.10 1.81 0.66 0.02 0.00 0.00 175.26 177.77 1nnk h SER 191 N 2.98 0.71 -0.71 -0.19 4.64 -0.83 -1.44 113.55 118.72 1nnk h SER 191 Ca -0.48 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 60.95 1nnk h SER 191 Cb 1.22 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 1nnk h SER 191 CO 0.64 0.28 0.44 0.71 -0.87 0.00 0.00 176.83 178.03 1nnk h THR 192 N 0.71 1.09 -0.15 2.95 1.35 -1.91 0.38 112.91 117.33 1nnk h THR 192 Ca 0.54 -0.30 -0.17 0.00 -0.55 0.00 0.00 66.41 65.94 1nnk h THR 192 Cb 0.91 0.15 0.01 0.00 -1.73 0.00 0.00 68.15 67.48 1nnk h THR 192 CO -0.31 0.16 -0.57 -0.03 -0.25 0.00 0.00 175.52 174.51 1nnk h MET 193 N 0.86 0.64 -0.39 4.72 -1.53 -1.75 -1.59 114.93 115.90 1nnk h MET 193 Ca 0.29 -0.50 0.07 0.00 -3.44 0.00 0.00 59.70 56.12 1nnk h MET 193 Cb 0.04 0.10 -0.06 0.00 -0.55 0.00 0.00 31.60 31.12 1nnk h MET 193 CO -0.12 1.12 0.03 -0.97 0.14 0.00 0.00 176.91 177.12 1nnk h ASN 194 N 0.31 -0.09 -1.00 1.39 -0.73 -0.76 -0.49 115.58 114.21 1nnk h ASN 194 Ca -0.03 0.08 0.01 0.00 1.87 0.00 0.00 56.30 58.23 1nnk h ASN 194 Cb 1.20 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.87 1nnk h ASN 194 CO 0.12 -0.01 0.65 -0.33 -0.37 0.00 0.00 177.43 177.50 1nnk h GLU 195 N 0.14 1.32 0.50 6.67 5.08 -0.21 -1.36 114.58 126.73 1nnk h GLU 195 Ca 0.19 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1nnk h GLU 195 Cb 0.25 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1nnk h GLU 195 CO -0.29 0.88 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.44 1nnk h TYR 196 N 1.36 -0.63 -0.64 4.33 3.20 -0.43 -3.13 116.97 121.02 1nnk h TYR 196 Ca 0.37 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.27 1nnk h TYR 196 Cb -0.15 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1nnk h TYR 196 CO 0.00 -0.33 0.42 0.82 -1.64 0.00 0.00 178.16 177.44 1nnk h ILE 197 N -0.82 1.03 -0.06 1.81 1.08 -0.99 -0.70 117.51 118.87 1nnk h ILE 197 Ca -0.07 -0.23 0.02 0.00 -0.39 0.00 0.00 64.86 64.19 1nnk h ILE 197 Cb 0.58 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1nnk h ILE 197 CO 0.11 0.12 0.05 -0.08 -0.69 0.00 0.00 178.15 177.67 1nnk h GLU 198 N 0.68 0.00 -0.62 2.37 4.81 -1.20 -1.59 114.58 119.02 1nnk h GLU 198 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1nnk h GLU 198 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1nnk h GLU 198 CO -0.08 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.24 1nnk n GLN 199 N -4.16 4.37 -4.79 1.92 1.13 -0.27 -4.76 117.38 110.83 1nnk n GLN 199 Ca -0.02 -3.02 -0.31 0.00 -1.94 0.00 0.00 57.00 51.71 1nnk n GLN 199 Cb 0.15 -2.10 -0.13 0.00 0.11 0.00 0.00 30.24 28.27 1nnk n GLN 199 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1nnk s ARG 200 N -2.33 2.10 0.63 -1.09 1.81 -0.60 -0.51 118.95 118.96 1nnk s ARG 200 Ca 0.53 -0.95 -0.18 0.00 -1.72 0.00 0.00 55.73 53.41 1nnk s ARG 200 Cb 0.38 -2.17 -0.02 0.00 -0.45 0.00 0.00 34.95 32.69 1nnk s ARG 200 CO 0.20 0.55 1.25 0.15 -0.68 0.00 0.00 175.30 176.77 1nnk s LYS 201 N -1.24 2.68 -0.00 3.54 1.02 -1.26 -0.67 119.74 123.81 1nnk s LYS 201 Ca 0.13 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.05 1nnk s LYS 201 Cb -0.10 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1nnk s LYS 201 CO 0.04 -1.46 0.68 -0.35 -0.92 0.00 0.00 175.35 173.34 1nnk n PRO 202 N -1.87 1.01 -3.79 -1.68 -0.04 -1.26 -4.95 135.00 122.41 1nnk n PRO 202 Ca 0.15 -0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 1nnk n PRO 202 Cb 0.49 -1.32 0.04 0.00 -0.04 0.00 0.00 33.50 32.67 1nnk n PRO 202 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nnk n ASP 204 N -2.91 3.42 -4.46 0.00 5.75 -1.26 -4.97 116.55 112.11 1nnk n ASP 204 Ca 0.00 -1.98 -0.23 0.00 -0.01 0.00 0.00 54.79 52.57 1nnk n ASP 204 Cb 0.55 -0.35 -0.10 0.00 -1.03 0.00 0.00 41.12 40.19 1nnk n ASP 204 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1nnk s THR 205 N -1.04 1.94 0.05 2.12 -4.23 -1.26 -0.51 115.64 112.71 1nnk s THR 205 Ca 0.36 -2.19 -0.19 0.00 -1.18 0.00 0.00 61.69 58.49 1nnk s THR 205 Cb 0.19 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.61 1nnk s THR 205 CO 0.25 -0.30 0.43 0.00 -0.54 0.00 0.00 174.62 174.46 1nnk s MET 206 N -3.66 0.94 -0.09 3.99 0.23 0.10 -4.71 119.30 116.11 1nnk s MET 206 Ca 0.30 -0.35 -0.23 0.00 -1.03 0.00 0.00 55.69 54.39 1nnk s MET 206 Cb 0.02 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1nnk s MET 206 CO 0.13 -0.33 0.68 0.21 -2.03 0.00 0.00 175.02 173.68 1nnk s LYS 207 N -2.49 4.40 0.08 3.16 2.20 -1.26 -1.35 119.74 124.48 1nnk s LYS 207 Ca -0.05 0.82 0.10 0.00 -0.36 0.00 0.00 55.97 56.48 1nnk s LYS 207 Cb -0.01 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1nnk s LYS 207 CO -0.02 0.03 -0.27 0.14 -0.36 0.00 0.00 175.35 174.87 1nnk s VAL 208 N 0.95 2.18 0.12 4.02 -7.23 -0.42 -4.99 120.40 115.04 1nnk s VAL 208 Ca 0.36 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1nnk s VAL 208 Cb -0.17 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.88 1nnk s VAL 208 CO 0.16 0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 1nnk n GLY 209 N 1.45 -1.68 3.32 2.32 0.00 -1.11 -3.91 105.19 105.57 1nnk n GLY 209 Ca -0.17 -1.40 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 1nnk n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nnk n GLY 210 N -2.36 -0.14 3.77 -0.02 0.00 -1.26 -4.90 105.19 100.28 1nnk n GLY 210 Ca -0.00 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 1nnk n GLY 210 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nnk s ASN 211 N -4.75 6.45 0.24 1.61 0.02 -1.26 -4.78 114.94 112.47 1nnk s ASN 211 Ca 0.60 2.29 0.13 0.00 -1.02 0.00 0.00 52.86 54.86 1nnk s ASN 211 Cb -0.03 -2.61 -0.00 0.00 0.02 0.00 0.00 41.25 38.64 1nnk s ASN 211 CO 0.41 -0.72 1.38 -0.07 0.02 0.00 0.00 177.10 178.11 1nnk h LEU 212 N 2.44 0.00 -8.15 0.60 3.38 -0.48 -3.47 115.31 109.62 1nnk h LEU 212 Ca -0.49 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1nnk h LEU 212 Cb 1.24 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 1nnk h LEU 212 CO 0.62 0.61 0.04 -0.62 0.09 0.00 0.00 178.44 179.17 1nnk s ASP 213 N -6.48 -0.06 -0.17 -0.43 -1.08 -1.26 -4.94 116.67 102.25 1nnk s ASP 213 Ca 0.03 -0.88 0.01 0.00 -0.52 0.00 0.00 52.55 51.19 1nnk s ASP 213 Cb 0.08 0.67 0.02 0.00 -1.46 0.00 0.00 42.92 42.23 1nnk s ASP 213 CO 0.76 -1.28 -0.20 -0.55 0.52 0.00 0.00 175.17 174.42 1nnk s SER 214 N -3.01 3.17 0.33 -0.34 0.15 -1.26 -3.22 113.70 109.53 1nnk s SER 214 Ca 0.18 -0.62 0.05 0.00 0.70 0.00 0.00 55.95 56.26 1nnk s SER 214 Cb -0.03 -1.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.78 1nnk s SER 214 CO 0.09 0.03 0.17 0.29 1.20 0.00 0.00 173.24 175.02 1nnk n LYS 215 N 4.44 0.52 -3.86 5.44 5.02 0.64 -4.98 118.16 125.37 1nnk n LYS 215 Ca -0.21 -2.97 -0.10 0.00 -2.02 0.00 0.00 58.31 53.01 1nnk n LYS 215 Cb 0.51 1.93 -0.08 0.00 -0.02 0.00 0.00 35.03 37.36 1nnk n LYS 215 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1nnk s GLY 216 N -3.13 0.07 -0.13 0.72 0.00 -1.26 -1.12 107.32 102.47 1nnk s GLY 216 Ca 0.25 -0.41 -0.06 0.00 0.00 0.00 0.00 44.72 44.49 1nnk s GLY 216 CO 0.17 -0.59 0.10 -0.19 0.00 0.00 0.00 173.10 172.60 1nnk s TYR 217 N -2.97 3.44 0.17 1.90 2.02 -0.53 -0.92 117.35 120.46 1nnk s TYR 217 Ca -0.02 0.37 0.03 0.00 -0.37 0.00 0.00 57.07 57.08 1nnk s TYR 217 Cb 0.01 -1.96 -0.05 0.00 -0.40 0.00 0.00 41.96 39.56 1nnk s TYR 217 CO -0.06 0.54 -0.05 0.20 -1.57 0.00 0.00 175.55 174.61 1nnk s GLY 218 N -0.61 1.19 0.09 0.71 0.00 -0.88 0.02 107.32 107.84 1nnk s GLY 218 Ca 0.12 -1.57 -0.26 0.00 0.00 0.00 0.00 44.72 43.01 1nnk s GLY 218 CO 0.02 -1.58 0.81 -0.42 0.00 0.00 0.00 173.10 171.93 1nnk s ILE 219 N -3.46 4.60 0.03 0.90 1.01 -1.26 -4.49 121.20 118.52 1nnk s ILE 219 Ca 0.21 1.74 0.04 0.00 0.00 0.00 0.00 60.65 62.64 1nnk s ILE 219 Cb 0.04 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1nnk s ILE 219 CO 0.03 0.39 -0.07 0.00 0.00 0.00 0.00 174.94 175.28 1nnk s ALA 220 N -0.29 3.01 0.12 9.38 0.00 -0.76 -0.76 121.76 132.46 1nnk s ALA 220 Ca 0.40 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1nnk s ALA 220 Cb -0.22 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1nnk s ALA 220 CO 0.25 0.62 0.02 0.95 0.00 0.00 0.00 175.76 177.61 1nnk s THR 221 N -1.05 0.26 0.56 0.00 -4.23 0.36 -0.22 115.64 111.31 1nnk s THR 221 Ca 0.18 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.59 1nnk s THR 221 Cb -0.11 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 1nnk s THR 221 CO 0.09 -0.59 1.25 -2.84 -0.54 0.00 0.00 174.62 171.99 1nnk s PRO 222 N -3.99 3.13 0.22 3.99 0.02 -1.26 -0.29 135.00 136.83 1nnk s PRO 222 Ca 0.20 1.95 -0.31 0.00 0.02 0.00 0.00 61.00 62.86 1nnk s PRO 222 Cb 0.07 -2.10 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 1nnk s PRO 222 CO -0.00 -1.11 1.25 1.17 -0.33 0.00 0.00 177.00 177.97 1nnk n LYS 223 N -1.26 1.59 -1.79 5.54 3.00 -1.26 -1.68 118.16 122.30 1nnk n LYS 223 Ca 0.12 0.56 -0.15 0.00 -0.00 0.00 0.00 58.31 58.84 1nnk n LYS 223 Cb 0.48 -2.11 -0.04 0.00 0.00 0.00 0.00 35.03 33.36 1nnk n LYS 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nnk n GLY 224 N 1.90 0.77 3.74 3.14 0.00 -1.26 -4.98 105.19 108.50 1nnk n GLY 224 Ca 0.12 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1nnk n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nnk s SER 225 N -2.63 7.50 0.16 1.61 0.15 -0.68 -4.96 113.70 114.85 1nnk s SER 225 Ca 0.00 1.91 -0.14 0.00 0.70 0.00 0.00 55.95 58.42 1nnk s SER 225 Cb 0.00 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1nnk s SER 225 CO 0.00 -0.03 1.75 0.77 1.20 0.00 0.00 173.24 176.93 1nnk h SER 226 N 5.01 0.68 -0.91 5.45 4.64 -1.94 -2.96 113.55 123.54 1nnk h SER 226 Ca -0.44 -0.12 0.11 0.00 -0.47 0.00 0.00 61.79 60.86 1nnk h SER 226 Cb 1.21 -0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 63.04 1nnk h SER 226 CO 0.71 0.61 0.54 0.25 -0.87 0.00 0.00 176.83 178.07 1nnk h LEU 227 N 0.70 0.79 -0.67 5.97 5.85 -1.96 -2.88 115.31 123.09 1nnk h LEU 227 Ca 0.18 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.07 1nnk h LEU 227 Cb 0.11 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 1nnk h LEU 227 CO -0.02 0.43 0.23 1.23 -0.34 0.00 0.00 178.44 179.97 1nnk h GLY 228 N 0.88 0.96 0.68 3.75 0.00 -1.88 -0.11 103.07 107.35 1nnk h GLY 228 Ca 0.44 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.70 1nnk h GLY 228 CO -0.26 -0.08 0.07 3.43 0.00 0.00 0.00 176.54 179.70 1nnk h ASN 229 N 0.39 0.03 -0.44 0.19 -0.26 -1.62 0.20 115.58 114.06 1nnk h ASN 229 Ca 0.36 0.04 -0.12 0.00 -0.56 0.00 0.00 56.30 56.02 1nnk h ASN 229 Cb 0.51 0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 1nnk h ASN 229 CO -0.38 0.05 -0.19 0.00 -1.06 0.00 0.00 177.43 175.86 1nnk h ALA 230 N 1.21 0.62 -0.58 -0.83 0.00 -1.48 -2.95 119.26 115.26 1nnk h ALA 230 Ca 0.14 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1nnk h ALA 230 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1nnk h ALA 230 CO -0.17 0.58 0.05 0.28 0.00 0.00 0.00 179.25 179.99 1nnk h VAL 231 N 0.74 1.26 -0.54 0.00 2.07 -0.82 -1.32 116.25 117.64 1nnk h VAL 231 Ca 0.10 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.64 1nnk h VAL 231 Cb 0.75 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1nnk h VAL 231 CO 0.06 0.38 0.23 -1.13 0.02 0.00 0.00 177.57 177.13 1nnk h ASN 232 N 0.88 0.27 0.01 0.57 -1.24 -0.89 0.71 115.58 115.89 1nnk h ASN 232 Ca 0.17 0.05 -0.07 0.00 0.71 0.00 0.00 56.30 57.16 1nnk h ASN 232 Cb 0.48 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 1nnk h ASN 232 CO 0.02 0.18 -0.20 -0.07 -1.29 0.00 0.00 177.43 176.07 1nnk h LEU 233 N 0.43 0.33 -0.52 0.34 3.38 -1.31 -1.52 115.31 116.44 1nnk h LEU 233 Ca 0.26 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1nnk h LEU 233 Cb 0.25 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1nnk h LEU 233 CO -0.23 0.55 -0.21 0.00 0.09 0.00 0.00 178.44 178.64 1nnk h ALA 234 N 1.49 0.72 -0.43 1.53 0.00 -0.04 -1.42 119.26 121.10 1nnk h ALA 234 Ca 0.05 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1nnk h ALA 234 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nnk h ALA 234 CO 0.04 0.67 -0.18 0.28 0.00 0.00 0.00 179.25 180.06 1nnk h VAL 235 N 0.85 1.28 -0.82 0.00 2.07 -0.67 -0.41 116.25 118.55 1nnk h VAL 235 Ca 0.11 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1nnk h VAL 235 Cb 0.78 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1nnk h VAL 235 CO 0.06 0.45 0.54 -0.07 0.02 0.00 0.00 177.57 178.57 1nnk h LEU 236 N 0.71 0.92 -0.26 2.57 3.38 -1.12 -1.01 115.31 120.51 1nnk h LEU 236 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1nnk h LEU 236 Cb 0.74 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1nnk h LEU 236 CO 0.06 0.66 0.10 0.50 0.09 0.00 0.00 178.44 179.85 1nnk h LYS 237 N 1.09 0.39 -0.73 1.13 3.64 -0.96 -2.08 116.57 119.05 1nnk h LYS 237 Ca 0.30 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1nnk h LYS 237 Cb -0.10 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1nnk h LYS 237 CO -0.07 0.44 0.47 -0.07 -2.27 0.00 0.00 179.45 177.94 1nnk h LEU 238 N 0.26 0.86 -0.06 5.20 3.38 -0.70 -2.27 115.31 121.99 1nnk h LEU 238 Ca 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1nnk h LEU 238 Cb 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1nnk h LEU 238 CO -0.01 0.64 -0.01 -1.13 0.09 0.00 0.00 178.44 178.02 1nnk h ASN 239 N 1.00 0.11 -0.43 -0.43 -1.24 -0.96 -1.32 115.58 112.30 1nnk h ASN 239 Ca 0.27 -0.35 0.05 0.00 0.71 0.00 0.00 56.30 56.98 1nnk h ASN 239 Cb -0.08 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 1nnk h ASN 239 CO -0.05 0.43 0.29 1.05 -1.29 0.00 0.00 177.43 177.85 1nnk h GLU 240 N -0.22 0.39 -0.61 6.67 4.11 -1.10 -1.44 114.58 122.39 1nnk h GLU 240 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1nnk h GLU 240 Cb 0.38 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1nnk h GLU 240 CO 0.00 0.26 0.00 0.00 0.07 0.00 0.00 179.01 179.34 1nnk n GLN 241 N -4.48 2.87 -1.04 1.06 10.64 -0.88 -4.92 117.38 120.63 1nnk n GLN 241 Ca 0.05 -1.97 -0.01 0.00 -1.83 0.00 0.00 57.00 53.24 1nnk n GLN 241 Cb 0.21 -1.69 -0.01 0.00 -0.86 0.00 0.00 30.24 27.89 1nnk n GLN 241 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1nnk n GLY 242 N 0.89 0.49 0.18 2.61 0.00 -0.54 -4.94 105.19 103.88 1nnk n GLY 242 Ca 0.18 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1nnk n GLY 242 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nnk h LEU 243 N 0.00 0.55 -0.81 0.99 7.12 -1.45 -1.69 115.31 120.02 1nnk h LEU 243 Ca -0.03 -0.31 -0.06 0.00 0.13 0.00 0.00 57.88 57.61 1nnk h LEU 243 Cb 0.25 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.20 1nnk h LEU 243 CO 0.04 0.73 0.18 -0.07 -0.13 0.00 0.00 178.44 179.20 1nnk h LEU 244 N 0.36 1.01 -0.79 2.25 3.38 -1.85 0.29 115.31 119.97 1nnk h LEU 244 Ca 0.09 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1nnk h LEU 244 Cb 0.45 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1nnk h LEU 244 CO 0.02 0.96 -0.22 0.44 0.09 0.00 0.00 178.44 179.73 1nnk h ASP 245 N 1.03 0.67 -0.53 -0.43 3.32 -1.88 -0.84 116.42 117.75 1nnk h ASP 245 Ca 0.22 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1nnk h ASP 245 Cb 0.34 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1nnk h ASP 245 CO -0.00 0.88 0.14 0.50 -1.72 0.00 0.00 179.24 179.04 1nnk h LYS 246 N 0.59 0.84 -0.46 3.56 3.64 -0.45 -2.01 116.57 122.28 1nnk h LYS 246 Ca 0.08 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 1nnk h LYS 246 Cb 0.70 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1nnk h LYS 246 CO 0.05 0.79 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.79 1nnk h LEU 247 N 0.73 0.87 -0.39 5.20 3.38 -0.16 -2.33 115.31 122.61 1nnk h LEU 247 Ca 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1nnk h LEU 247 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1nnk h LEU 247 CO -0.00 1.02 0.22 0.50 0.09 0.00 0.00 178.44 180.27 1nnk h LYS 248 N 0.77 0.53 -0.63 1.13 1.63 -0.90 -1.52 116.57 117.57 1nnk h LYS 248 Ca 0.12 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 1nnk h LYS 248 Cb 0.68 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 1nnk h LYS 248 CO 0.05 0.42 0.10 -0.97 -3.45 0.00 0.00 179.45 175.60 1nnk h ASN 249 N 0.50 0.98 -0.39 4.20 -1.24 -1.29 -0.02 115.58 118.32 1nnk h ASN 249 Ca 0.14 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 56.89 1nnk h ASN 249 Cb 0.04 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 1nnk h ASN 249 CO -0.02 0.98 0.11 0.50 -1.29 0.00 0.00 177.43 177.71 1nnk h LYS 250 N 0.97 0.61 0.00 6.67 3.64 -1.10 0.39 116.57 127.74 1nnk h LYS 250 Ca 0.19 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1nnk h LYS 250 Cb 0.42 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1nnk h LYS 250 CO 0.01 0.63 -1.09 -1.49 -2.27 0.00 0.00 179.45 175.24 1nnk h TRP 251 N 0.48 0.00 0.00 1.91 4.06 -1.18 -3.30 115.95 117.91 1nnk h TRP 251 Ca 0.12 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.95 1nnk h TRP 251 Cb 0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.42 1nnk h TRP 251 CO 0.01 0.24 -1.26 0.91 -3.56 0.00 0.00 178.44 174.79 1nnk n TRP 252 N -2.80 0.32 -0.07 0.49 8.01 -0.03 -4.65 117.44 118.70 1nnk n TRP 252 Ca -0.03 0.14 -0.21 0.00 -1.31 0.00 0.00 57.50 56.09 1nnk n TRP 252 Cb 0.67 -0.74 -0.13 0.00 -2.01 0.00 0.00 31.31 29.10 1nnk n TRP 252 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1nnk n TYR 253 N -4.45 0.65 0.31 -5.99 4.01 -0.93 -3.16 117.16 107.59 1nnk n TYR 253 Ca -0.23 0.15 0.17 0.00 -0.16 0.00 0.00 57.90 57.83 1nnk n TYR 253 Cb 0.56 -1.08 0.98 0.00 -0.31 0.00 0.00 39.34 39.49 1nnk n TYR 253 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1nnk h ASP 254 N -0.11 0.00 -0.30 7.72 5.19 -0.37 -1.70 116.42 126.85 1nnk h ASP 254 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1nnk h ASP 254 Cb 1.90 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.41 1nnk h ASP 254 CO -0.04 0.01 0.00 0.29 -3.12 0.00 0.00 179.24 176.38 1nnk n LYS 255 N -3.63 2.31 -0.63 3.56 5.02 -1.24 -5.03 118.16 118.52 1nnk n LYS 255 Ca -0.03 -1.91 -0.30 0.00 -2.02 0.00 0.00 58.31 54.05 1nnk n LYS 255 Cb 0.09 -1.29 0.20 0.00 -0.02 0.00 0.00 35.03 34.01 1nnk n LYS 255 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1nnk s GLY 256 N -1.02 1.64 0.00 0.72 0.00 -0.64 -5.00 107.32 103.02 1nnk s GLY 256 Ca 0.24 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1nnk s GLY 256 CO 0.18 0.89 0.70 1.18 0.00 0.00 0.00 173.10 176.05 1nnk n GLU 257 N -4.48 0.00 0.00 2.90 1.02 0.34 -5.04 120.64 115.37 1nnk n GLU 257 Ca 0.09 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 1nnk n GLU 257 Cb 0.53 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 1nnk n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31