#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nut s ARG 4 N 0.00 3.92 -0.06 4.33 0.52 -1.26 -4.98 118.95 121.41 1nut s ARG 4 Ca 0.00 0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.35 1nut s ARG 4 Cb 0.00 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 1nut s ARG 4 CO 0.00 0.37 1.13 0.42 0.02 0.00 0.00 175.30 177.24 1nut s ILE 5 N -1.68 4.45 0.27 1.52 1.01 -0.13 -4.71 121.20 121.93 1nut s ILE 5 Ca 0.44 1.75 -0.29 0.00 0.00 0.00 0.00 60.65 62.55 1nut s ILE 5 Cb -0.13 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 1nut s ILE 5 CO 0.20 0.01 1.20 -2.84 0.00 0.00 0.00 174.94 173.51 1nut s PRO 6 N 2.05 4.50 0.01 2.79 0.02 -1.26 -0.73 135.00 142.37 1nut s PRO 6 Ca 0.53 1.97 0.04 0.00 0.02 0.00 0.00 61.00 63.56 1nut s PRO 6 Cb -0.23 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.12 1nut s PRO 6 CO 0.21 -0.00 -0.11 0.08 -0.33 0.00 0.00 177.00 176.84 1nut s VAL 7 N -0.86 0.90 -0.08 3.83 1.01 0.57 -0.62 120.40 125.14 1nut s VAL 7 Ca 0.48 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1nut s VAL 7 Cb -0.35 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1nut s VAL 7 CO 0.44 0.15 -0.21 -0.69 0.00 0.00 0.00 175.10 174.79 1nut s VAL 8 N -0.46 2.39 -0.18 2.92 1.01 -0.32 -0.74 120.40 125.02 1nut s VAL 8 Ca 0.03 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1nut s VAL 8 Cb -0.05 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1nut s VAL 8 CO 0.00 0.56 0.08 -0.76 0.00 0.00 0.00 175.10 174.98 1nut s LEU 9 N 0.01 3.94 -0.19 3.92 1.43 -0.25 -0.95 118.68 126.59 1nut s LEU 9 Ca -0.07 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1nut s LEU 9 Cb -0.15 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1nut s LEU 9 CO 0.05 0.18 -0.15 -0.22 0.23 0.00 0.00 176.35 176.44 1nut s LEU 10 N 0.32 2.37 -0.24 1.79 2.96 -0.01 0.29 118.68 126.15 1nut s LEU 10 Ca 0.05 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.35 1nut s LEU 10 Cb -0.12 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 1nut s LEU 10 CO -0.00 0.01 -0.00 0.00 -1.32 0.00 0.00 176.35 175.03 1nut s ALA 11 N 1.28 2.90 0.23 5.97 0.00 0.31 0.39 121.76 132.83 1nut s ALA 11 Ca 0.04 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.79 1nut s ALA 11 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 1nut s ALA 11 CO -0.09 -0.59 0.33 0.00 0.00 0.00 0.00 175.76 175.41 1nut n GLY 13 N -1.27 -1.26 0.12 0.00 0.00 -1.23 -4.95 105.19 96.60 1nut n GLY 13 Ca -0.09 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.23 1nut n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nut h SER 14 N 0.00 0.44 -6.10 1.61 0.02 -1.94 -0.04 113.55 107.54 1nut h SER 14 Ca 0.00 -0.89 -0.36 0.00 -0.84 0.00 0.00 61.79 59.71 1nut h SER 14 Cb 0.00 -0.14 0.07 0.00 0.14 0.00 0.00 62.40 62.47 1nut h SER 14 CO 0.00 1.29 -0.81 0.49 -1.14 0.00 0.00 176.83 176.66 1nut n PHE 15 N -4.21 -2.14 -3.14 3.45 3.72 -1.26 -4.42 117.46 109.46 1nut n PHE 15 Ca -0.12 0.64 -0.25 0.00 -0.05 0.00 0.00 57.45 57.66 1nut n PHE 15 Cb 0.73 -3.51 -0.05 0.00 -0.94 0.00 0.00 39.48 35.71 1nut n PHE 15 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1nut n ASN 16 N -2.57 3.39 -4.88 4.37 4.05 -1.26 -3.51 115.26 114.85 1nut n ASN 16 Ca -0.11 -3.43 -0.21 0.00 0.45 0.00 0.00 54.58 51.28 1nut n ASN 16 Cb 0.59 -0.61 0.06 0.00 1.23 0.00 0.00 39.78 41.06 1nut n ASN 16 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1nut s PRO 17 N -2.83 2.23 0.37 1.20 0.04 -1.26 -4.79 135.00 129.96 1nut s PRO 17 Ca 0.44 -1.04 -0.27 0.00 0.04 0.00 0.00 61.00 60.17 1nut s PRO 17 Cb 0.24 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 1nut s PRO 17 CO -0.09 -0.96 1.28 -1.50 0.04 0.00 0.00 177.00 175.77 1nut s ILE 18 N -2.85 2.77 0.40 0.56 2.07 -1.23 -4.88 121.20 118.03 1nut s ILE 18 Ca 0.61 0.72 0.07 0.00 -1.41 0.00 0.00 60.65 60.63 1nut s ILE 18 Cb -0.08 -3.43 -0.08 0.00 0.13 0.00 0.00 42.46 39.00 1nut s ILE 18 CO 0.40 0.13 0.00 0.42 -1.91 0.00 0.00 174.94 173.98 1nut s THR 19 N -1.24 1.96 0.49 4.00 -4.23 -1.26 -4.67 115.64 110.70 1nut s THR 19 Ca 0.54 -2.02 0.21 0.00 -1.18 0.00 0.00 61.69 59.23 1nut s THR 19 Cb -0.37 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 70.78 1nut s THR 19 CO 0.48 -0.02 2.11 0.78 -0.54 0.00 0.00 174.62 177.43 1nut h ASN 20 N 1.82 0.00 -0.36 3.99 2.35 -1.56 -2.48 115.58 119.35 1nut h ASN 20 Ca -0.44 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.15 1nut h ASN 20 Cb 1.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 1nut h ASN 20 CO 0.79 0.08 -0.42 0.24 -1.65 0.00 0.00 177.43 176.47 1nut h MET 21 N 0.00 0.92 -0.80 0.81 2.86 -1.92 0.51 114.93 117.31 1nut h MET 21 Ca -0.00 -0.51 -0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1nut h MET 21 Cb 0.17 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1nut h MET 21 CO 0.01 1.16 0.48 0.45 1.06 0.00 0.00 176.91 180.07 1nut h HIS 22 N 0.74 1.04 -0.13 -0.22 3.86 -1.85 -0.98 115.15 117.62 1nut h HIS 22 Ca 0.05 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.07 1nut h HIS 22 Cb 1.02 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 29.16 1nut h HIS 22 CO 0.06 0.69 -0.68 -0.07 0.86 0.00 0.00 177.93 178.80 1nut h LEU 23 N 1.10 0.82 -1.37 2.43 3.38 -1.31 -3.06 115.31 117.31 1nut h LEU 23 Ca 0.29 -0.64 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1nut h LEU 23 Cb -0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1nut h LEU 23 CO -0.05 1.33 0.46 -0.09 0.09 0.00 0.00 178.44 180.18 1nut h ARG 24 N 0.38 0.78 -0.85 1.13 9.65 -0.56 -1.92 114.38 122.98 1nut h ARG 24 Ca -0.05 -0.05 0.14 0.00 -1.10 0.00 0.00 59.98 58.93 1nut h ARG 24 Cb 1.32 -0.18 -0.09 0.00 -1.39 0.00 0.00 29.97 29.63 1nut h ARG 24 CO 0.14 0.52 0.45 1.98 2.80 0.00 0.00 179.97 185.86 1nut h MET 25 N 0.81 0.63 -0.30 0.20 4.05 -1.07 -0.13 114.93 119.11 1nut h MET 25 Ca 0.29 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.62 1nut h MET 25 Cb 0.14 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1nut h MET 25 CO -0.09 0.42 -0.00 0.74 0.23 0.00 0.00 176.91 178.21 1nut h PHE 26 N 0.65 0.58 -0.46 1.39 -1.00 -1.42 -1.60 116.94 115.08 1nut h PHE 26 Ca 0.46 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 61.13 1nut h PHE 26 Cb 0.63 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 1nut h PHE 26 CO -0.08 0.67 0.23 0.93 -1.61 0.00 0.00 178.31 178.44 1nut h GLU 27 N 0.32 0.66 -0.43 1.51 4.39 -1.23 -0.08 114.58 119.73 1nut h GLU 27 Ca 0.09 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1nut h GLU 27 Cb 0.44 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1nut h GLU 27 CO 0.02 0.55 0.17 0.28 -1.16 0.00 0.00 179.01 178.86 1nut h VAL 28 N 0.61 1.20 -0.60 3.13 2.07 -1.03 -1.88 116.25 119.75 1nut h VAL 28 Ca 0.16 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1nut h VAL 28 Cb 0.10 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1nut h VAL 28 CO -0.02 0.23 0.28 0.00 0.02 0.00 0.00 177.57 178.08 1nut h ALA 29 N 1.01 0.77 -0.22 1.67 0.00 -1.08 -1.53 119.26 119.88 1nut h ALA 29 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nut h ALA 29 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nut h ALA 29 CO -0.01 0.34 0.10 -0.09 0.00 0.00 0.00 179.25 179.59 1nut h ARG 30 N 0.82 0.33 -0.93 0.00 2.43 -0.84 -1.28 114.38 114.91 1nut h ARG 30 Ca 0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1nut h ARG 30 Cb 0.13 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1nut h ARG 30 CO -0.02 0.36 0.58 -0.44 -1.51 0.00 0.00 179.97 178.93 1nut h ASP 31 N 0.22 1.09 0.04 -3.80 3.32 -1.21 -0.79 116.42 115.30 1nut h ASP 31 Ca 0.08 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1nut h ASP 31 Cb 0.14 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1nut h ASP 31 CO -0.01 0.82 -0.02 -0.74 -1.72 0.00 0.00 179.24 177.58 1nut h HIS 32 N 1.27 -0.05 -0.92 4.55 2.76 -1.01 -0.35 115.15 121.41 1nut h HIS 32 Ca 0.33 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.51 1nut h HIS 32 Cb -0.09 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 28.84 1nut h HIS 32 CO 0.00 0.11 0.60 -0.07 -1.30 0.00 0.00 177.93 177.28 1nut h LEU 33 N -0.20 1.06 -0.73 0.26 3.38 -1.00 -2.56 115.31 115.52 1nut h LEU 33 Ca -0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1nut h LEU 33 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1nut h LEU 33 CO 0.01 0.77 -0.15 0.45 0.09 0.00 0.00 178.44 179.61 1nut h HIS 34 N 1.25 0.91 0.00 1.13 3.86 -0.94 -2.78 115.15 118.58 1nut h HIS 34 Ca 0.34 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1nut h HIS 34 Cb -0.14 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.11 1nut h HIS 34 CO 0.00 0.91 -0.06 1.96 0.86 0.00 0.00 177.93 181.60 1nut h GLN 35 N 0.72 0.00 0.00 2.45 4.20 -0.65 -0.43 115.11 121.40 1nut h GLN 35 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1nut h GLN 35 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1nut h GLN 35 CO 0.05 0.06 0.00 0.25 -0.67 0.00 0.00 178.83 178.51 1nut n THR 36 N -3.34 0.79 -0.51 -0.54 -2.24 -1.05 -4.87 114.28 102.53 1nut n THR 36 Ca -0.01 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1nut n THR 36 Cb 0.22 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 1nut n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nut n GLY 37 N 0.18 1.65 0.28 3.38 0.00 -0.17 -4.84 105.19 105.67 1nut n GLY 37 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 1nut n GLY 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nut n MET 38 N -2.00 0.73 -4.31 1.61 0.00 -1.26 -4.84 117.12 107.05 1nut n MET 38 Ca 0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 57.70 56.62 1nut n MET 38 Cb 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 33.22 31.99 1nut n MET 38 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1nut s TYR 39 N -0.82 1.77 -0.21 3.17 2.02 -1.25 -0.96 117.35 121.07 1nut s TYR 39 Ca 0.09 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 1nut s TYR 39 Cb 0.07 -0.90 0.06 0.00 -0.40 0.00 0.00 41.96 40.78 1nut s TYR 39 CO 0.13 0.28 0.00 -1.14 -1.57 0.00 0.00 175.55 173.25 1nut s GLN 40 N -2.58 1.03 -0.23 -0.62 0.74 0.09 -4.39 119.66 113.69 1nut s GLN 40 Ca 0.13 -0.65 -0.29 0.00 0.05 0.00 0.00 55.36 54.60 1nut s GLN 40 Cb -0.07 -2.30 0.01 0.00 1.10 0.00 0.00 33.01 31.75 1nut s GLN 40 CO 0.06 -0.63 1.10 0.08 -0.55 0.00 0.00 175.29 175.35 1nut s VAL 41 N 1.68 4.55 -0.45 1.34 1.01 -1.26 -0.32 120.40 126.95 1nut s VAL 41 Ca -0.03 1.86 0.20 0.00 0.00 0.00 0.00 61.98 64.01 1nut s VAL 41 Cb -0.18 -4.25 -0.27 0.00 0.00 0.00 0.00 36.38 31.68 1nut s VAL 41 CO -0.07 -0.22 0.63 2.30 0.00 0.00 0.00 175.10 177.73 1nut n ILE 42 N 5.44 0.00 -3.55 2.22 -5.35 0.08 -4.89 119.36 113.31 1nut n ILE 42 Ca 0.12 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.24 1nut n ILE 42 Cb 0.46 0.50 -0.04 0.00 -1.74 0.00 0.00 39.64 38.81 1nut n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1nut s GLN 43 N -3.14 0.69 -0.02 6.28 0.74 -1.23 -4.97 119.66 118.01 1nut s GLN 43 Ca -0.00 0.04 0.05 0.00 0.05 0.00 0.00 55.36 55.50 1nut s GLN 43 Cb 0.14 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.56 1nut s GLN 43 CO 0.82 -0.24 -0.18 0.20 -0.55 0.00 0.00 175.29 175.34 1nut s GLY 44 N -1.47 0.89 -0.12 2.59 0.00 0.03 -1.09 107.32 108.16 1nut s GLY 44 Ca -0.01 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.96 1nut s GLY 44 CO -0.00 -0.59 -0.15 -0.42 0.00 0.00 0.00 173.10 171.94 1nut s ILE 45 N -0.34 1.49 -0.27 0.90 1.01 0.14 -0.83 121.20 123.31 1nut s ILE 45 Ca 0.05 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.95 1nut s ILE 45 Cb -0.08 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1nut s ILE 45 CO -0.00 0.44 0.28 -0.63 0.00 0.00 0.00 174.94 175.02 1nut s ILE 46 N 1.13 5.25 -0.47 2.92 -1.09 -0.13 -0.53 121.20 128.28 1nut s ILE 46 Ca -0.04 0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.78 1nut s ILE 46 Cb -0.14 -3.61 0.12 0.00 -1.58 0.00 0.00 42.46 37.25 1nut s ILE 46 CO -0.04 0.21 0.21 -0.55 -1.23 0.00 0.00 174.94 173.55 1nut s SER 47 N 1.66 4.33 0.37 3.58 0.15 -0.11 -0.89 113.70 122.79 1nut s SER 47 Ca 0.11 -2.78 -0.28 0.00 0.70 0.00 0.00 55.95 53.70 1nut s SER 47 Cb -0.16 -1.56 -0.11 0.00 -1.71 0.00 0.00 66.02 62.48 1nut s SER 47 CO 0.10 -0.27 1.48 -2.84 1.20 0.00 0.00 173.24 172.91 1nut s PRO 48 N 0.05 4.13 0.59 5.44 0.02 -1.26 -3.55 135.00 140.41 1nut s PRO 48 Ca 0.16 2.55 -0.18 0.00 0.02 0.00 0.00 61.00 63.54 1nut s PRO 48 Cb -0.24 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 1nut s PRO 48 CO -0.02 -0.51 1.14 0.54 -0.33 0.00 0.00 177.00 177.82 1nut s VAL 49 N -1.09 3.07 0.66 3.83 0.11 -0.03 -3.48 120.40 123.47 1nut s VAL 49 Ca 0.53 0.61 -0.17 0.00 -2.93 0.00 0.00 61.98 60.01 1nut s VAL 49 Cb -0.46 -3.19 -0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1nut s VAL 49 CO 0.62 -0.20 1.26 0.21 -3.33 0.00 0.00 175.10 173.66 1nut s ASN 50 N -1.97 4.58 0.55 3.54 3.84 -1.26 -4.72 114.94 119.49 1nut s ASN 50 Ca 0.72 2.52 0.33 0.00 0.21 0.00 0.00 52.86 56.64 1nut s ASN 50 Cb -0.24 -2.61 1.45 0.00 -0.55 0.00 0.00 41.25 39.30 1nut s ASN 50 CO 0.33 -2.01 2.02 0.44 -2.79 0.00 0.00 177.10 175.08 1nut h ASP 51 N 0.38 0.00 0.93 -4.21 3.32 -1.92 -2.80 116.42 112.12 1nut h ASP 51 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1nut h ASP 51 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1nut h ASP 51 CO 0.52 0.05 0.00 0.35 -1.72 0.00 0.00 179.24 178.44 1nut n THR 52 N -3.19 0.57 -1.96 0.35 -2.24 -1.26 -4.86 114.28 101.68 1nut n THR 52 Ca -0.00 0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 1nut n THR 52 Cb 0.29 -0.78 0.02 0.00 -2.10 0.00 0.00 70.33 67.75 1nut n THR 52 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nut s TYR 53 N -3.09 2.50 0.00 4.78 5.04 -1.06 -4.83 117.35 120.69 1nut s TYR 53 Ca 0.09 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 1nut s TYR 53 Cb 0.13 -3.63 0.00 0.00 0.35 0.00 0.00 41.96 38.81 1nut s TYR 53 CO 0.45 -2.37 0.00 0.41 -1.34 0.00 0.00 175.55 172.70 1nut n GLY 54 N 0.62 -0.06 0.08 8.97 0.00 -1.26 -4.76 105.19 108.77 1nut n GLY 54 Ca 0.09 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1nut n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nut h LYS 55 N 0.00 0.00 -6.38 1.61 1.57 -1.99 -3.48 116.57 107.91 1nut h LYS 55 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1nut h LYS 55 Cb 0.00 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.42 1nut h LYS 55 CO 0.00 0.67 0.02 1.63 -0.57 0.00 0.00 179.45 181.20 1nut n LYS 56 N -4.54 1.09 -2.93 3.15 5.02 -1.26 -4.89 118.16 113.79 1nut n LYS 56 Ca -0.19 0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 56.05 1nut n LYS 56 Cb 0.48 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1nut n LYS 56 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nut s ASP 57 N -0.59 6.32 0.26 4.39 2.15 -1.26 -5.04 116.67 122.90 1nut s ASP 57 Ca 0.61 -0.47 -0.03 0.00 0.43 0.00 0.00 52.55 53.09 1nut s ASP 57 Cb -0.76 -2.39 -0.05 0.00 -0.30 0.00 0.00 42.92 39.42 1nut s ASP 57 CO 0.59 -1.11 0.49 -0.76 -0.17 0.00 0.00 175.17 174.21 1nut s LEU 58 N 3.54 4.12 0.76 -1.34 1.43 -1.26 -5.08 118.68 120.85 1nut s LEU 58 Ca 0.26 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 1nut s LEU 58 Cb -0.14 -3.38 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1nut s LEU 58 CO 0.18 -0.14 1.15 0.00 0.23 0.00 0.00 176.35 177.77 1nut n ALA 59 N -0.88 0.12 -1.63 4.21 0.00 -1.26 -4.87 120.51 116.19 1nut n ALA 59 Ca -0.03 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 1nut n ALA 59 Cb 0.54 -2.23 0.02 0.00 0.00 0.00 0.00 19.45 17.78 1nut n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nut n ALA 60 N -2.85 0.45 0.23 0.00 0.00 -1.26 -4.74 120.51 112.35 1nut n ALA 60 Ca 0.14 0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.89 1nut n ALA 60 Cb 0.50 -2.13 0.70 0.00 0.00 0.00 0.00 19.45 18.52 1nut n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nut h SER 61 N 1.51 0.00 -0.66 0.00 4.64 -1.89 -0.72 113.55 116.43 1nut h SER 61 Ca -0.46 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.94 1nut h SER 61 Cb 1.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.36 1nut h SER 61 CO 0.57 0.00 0.33 -0.74 -0.87 0.00 0.00 176.83 176.12 1nut h HIS 62 N 0.00 0.60 -0.18 4.77 -0.00 -1.95 -0.17 115.15 118.22 1nut h HIS 62 Ca 0.03 0.03 -0.22 0.00 -0.00 0.00 0.00 60.37 60.21 1nut h HIS 62 Cb 0.15 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 27.39 1nut h HIS 62 CO 0.00 0.25 -0.74 0.45 -0.00 0.00 0.00 177.93 177.89 1nut h HIS 63 N 0.60 1.08 -0.44 5.26 3.86 -1.50 -2.35 115.15 121.66 1nut h HIS 63 Ca 0.31 -0.46 -0.09 0.00 -1.16 0.00 0.00 60.37 58.97 1nut h HIS 63 Cb 0.28 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1nut h HIS 63 CO -0.10 1.29 -0.09 0.00 0.86 0.00 0.00 177.93 179.89 1nut h ARG 64 N 0.57 0.78 -0.47 2.45 3.08 -0.86 0.33 114.38 120.26 1nut h ARG 64 Ca -0.04 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 1nut h ARG 64 Cb 1.36 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1nut h ARG 64 CO 0.15 0.85 -0.09 0.28 -1.07 0.00 0.00 179.97 180.09 1nut h VAL 65 N 0.71 1.27 -0.46 2.04 2.07 -1.10 -1.89 116.25 118.90 1nut h VAL 65 Ca 0.12 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 1nut h VAL 65 Cb 0.56 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1nut h VAL 65 CO 0.03 0.42 0.17 0.00 0.02 0.00 0.00 177.57 178.21 1nut h ALA 66 N 0.89 0.60 -0.73 1.67 0.00 -0.94 -0.34 119.26 120.40 1nut h ALA 66 Ca 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nut h ALA 66 Cb 0.64 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1nut h ALA 66 CO 0.04 0.23 0.28 0.52 0.00 0.00 0.00 179.25 180.32 1nut h MET 67 N 0.60 1.10 -0.41 0.00 2.07 -0.90 -0.49 114.93 116.90 1nut h MET 67 Ca 0.15 -0.20 -0.05 0.00 -2.07 0.00 0.00 59.70 57.53 1nut h MET 67 Cb 0.23 -0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 29.76 1nut h MET 67 CO -0.01 0.90 0.05 0.00 1.07 0.00 0.00 176.91 178.92 1nut h ALA 68 N 1.23 0.54 -0.41 6.32 0.00 -1.02 0.54 119.26 126.47 1nut h ALA 68 Ca 0.24 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1nut h ALA 68 Cb 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1nut h ALA 68 CO -0.02 0.28 0.17 -0.09 0.00 0.00 0.00 179.25 179.59 1nut h ARG 69 N 0.53 0.34 -0.63 0.00 2.43 -0.58 -0.23 114.38 116.25 1nut h ARG 69 Ca 0.12 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1nut h ARG 69 Cb 0.40 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1nut h ARG 69 CO 0.01 0.23 0.12 -0.07 -1.51 0.00 0.00 179.97 178.75 1nut h LEU 70 N 0.35 0.99 -1.35 3.80 3.38 -0.90 -2.52 115.31 119.07 1nut h LEU 70 Ca 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1nut h LEU 70 Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1nut h LEU 70 CO -0.16 0.98 0.20 0.00 0.09 0.00 0.00 178.44 179.56 1nut h ALA 71 N 1.04 1.50 -0.10 1.53 0.00 -0.40 -2.84 119.26 119.99 1nut h ALA 71 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nut h ALA 71 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nut h ALA 71 CO 0.01 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.93 1nut n LEU 72 N -4.38 1.37 -0.02 0.00 4.77 -0.14 -4.18 117.00 114.42 1nut n LEU 72 Ca 0.03 -0.54 0.05 0.00 -0.03 0.00 0.00 56.01 55.53 1nut n LEU 72 Cb 0.14 -0.06 0.43 0.00 -2.33 0.00 0.00 43.42 41.60 1nut n LEU 72 CO 0.37 0.27 1.17 -0.61 -1.33 0.00 0.00 177.39 177.26 1nut h GLN 73 N 1.92 0.53 -0.60 3.23 5.75 -1.21 -1.65 115.11 123.08 1nut h GLN 73 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1nut h GLN 73 Cb 0.42 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1nut h GLN 73 CO 0.00 0.35 0.00 0.25 -2.65 0.00 0.00 178.83 176.78 1nut n THR 74 N -4.47 1.20 -4.31 2.39 -2.24 -1.26 -4.84 114.28 100.74 1nut n THR 74 Ca 0.05 -0.76 -0.35 0.00 -2.27 0.00 0.00 64.05 60.72 1nut n THR 74 Cb 0.12 -0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.23 1nut n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nut s SER 75 N -0.74 5.32 0.00 3.42 0.15 -0.62 -5.00 113.70 116.23 1nut s SER 75 Ca 0.33 0.15 0.21 0.00 0.70 0.00 0.00 55.95 57.35 1nut s SER 75 Cb 0.21 -1.57 0.55 0.00 -1.71 0.00 0.00 66.02 63.50 1nut s SER 75 CO 0.16 0.36 1.47 -0.90 1.20 0.00 0.00 173.24 175.52 1nut n ASP 76 N 2.30 3.71 0.00 5.45 5.68 -1.26 -4.57 116.55 127.86 1nut n ASP 76 Ca -0.19 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 1nut n ASP 76 Cb 0.54 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1nut n ASP 76 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nut n TRP 77 N 1.49 0.00 -4.48 2.11 4.27 -1.26 -5.08 117.44 114.49 1nut n TRP 77 Ca 0.22 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.49 1nut n TRP 77 Cb 0.60 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.43 1nut n TRP 77 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nut s ILE 78 N 0.00 3.81 0.13 -1.67 1.01 -1.26 -0.79 121.20 122.44 1nut s ILE 78 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1nut s ILE 78 Cb 0.00 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1nut s ILE 78 CO 0.00 0.53 -0.10 0.00 0.00 0.00 0.00 174.94 175.37 1nut s ARG 79 N -0.01 0.99 0.02 2.79 1.70 -0.01 -4.84 118.95 119.60 1nut s ARG 79 Ca 0.00 -1.39 -0.11 0.00 -0.47 0.00 0.00 55.73 53.76 1nut s ARG 79 Cb -0.13 -0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 33.65 1nut s ARG 79 CO 0.03 0.06 0.37 0.54 -1.08 0.00 0.00 175.30 175.21 1nut s VAL 80 N -3.26 5.13 -0.19 4.99 0.11 -1.26 -0.96 120.40 124.95 1nut s VAL 80 Ca 0.14 0.56 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 1nut s VAL 80 Cb 0.02 -3.64 0.05 0.00 -1.53 0.00 0.00 36.38 31.28 1nut s VAL 80 CO -0.00 0.45 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.52 1nut s ASP 81 N -1.40 3.29 0.00 3.54 -1.08 -0.07 -4.87 116.67 116.07 1nut s ASP 81 Ca 0.27 -0.87 0.25 0.00 -0.52 0.00 0.00 52.55 51.68 1nut s ASP 81 Cb -0.15 -1.11 1.16 0.00 -1.46 0.00 0.00 42.92 41.36 1nut s ASP 81 CO 0.15 -0.18 1.81 -0.81 0.52 0.00 0.00 175.17 176.66 1nut n PRO 82 N 4.75 0.18 -0.35 4.34 -0.04 -1.26 -4.39 135.00 138.23 1nut n PRO 82 Ca -0.13 0.06 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 1nut n PRO 82 Cb 0.46 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1nut n PRO 82 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1nut h TRP 83 N 0.00 -1.18 -0.66 0.54 7.01 -1.95 -0.33 115.95 119.38 1nut h TRP 83 Ca 0.00 0.10 0.04 0.00 2.11 0.00 0.00 58.89 61.15 1nut h TRP 83 Cb 0.33 0.65 -0.05 0.00 -2.10 0.00 0.00 29.16 27.99 1nut h TRP 83 CO 0.00 -0.40 0.39 1.49 -2.79 0.00 0.00 178.44 177.13 1nut h GLU 84 N -0.04 0.71 0.00 2.65 4.81 -1.86 -2.07 114.58 118.79 1nut h GLU 84 Ca 0.30 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1nut h GLU 84 Cb 0.57 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1nut h GLU 84 CO -0.92 0.47 0.00 0.66 -0.73 0.00 0.00 179.01 178.49 1nut h SER 85 N 0.73 0.00 0.47 1.04 4.64 -1.14 -2.98 113.55 116.31 1nut h SER 85 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1nut h SER 85 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1nut h SER 85 CO -0.15 0.00 -0.34 -0.62 -0.87 0.00 0.00 176.83 174.86 1nut n GLU 86 N -2.57 0.30 -2.43 4.77 1.02 -0.56 -4.58 120.64 116.58 1nut n GLU 86 Ca 0.03 -0.15 -0.34 0.00 -0.02 0.00 0.00 57.16 56.67 1nut n GLU 86 Cb 0.34 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1nut n GLU 86 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1nut s GLN 87 N -2.81 3.62 0.29 3.49 -1.52 -1.11 -4.93 119.66 116.69 1nut s GLN 87 Ca 0.17 1.46 0.04 0.00 -1.95 0.00 0.00 55.36 55.08 1nut s GLN 87 Cb 0.18 -2.06 0.72 0.00 -0.22 0.00 0.00 33.01 31.64 1nut s GLN 87 CO 0.61 -0.60 1.73 0.00 -0.25 0.00 0.00 175.29 176.77 1nut h ALA 88 N 1.41 1.50 -2.63 6.09 0.00 -1.90 -3.44 119.26 120.29 1nut h ALA 88 Ca -0.50 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1nut h ALA 88 Cb 1.24 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 1nut h ALA 88 CO 0.58 -0.24 -0.43 1.14 0.00 0.00 0.00 179.25 180.30 1nut s GLN 89 N -5.88 1.21 0.40 0.00 -2.07 -1.26 -4.89 119.66 107.18 1nut s GLN 89 Ca -0.11 -1.38 -0.24 0.00 -1.82 0.00 0.00 55.36 51.80 1nut s GLN 89 Cb 0.25 0.34 -0.12 0.00 -1.09 0.00 0.00 33.01 32.39 1nut s GLN 89 CO 0.79 -0.43 0.81 1.87 -1.32 0.00 0.00 175.29 177.00 1nut n TRP 90 N -0.25 0.45 -4.60 9.60 -0.00 -1.26 -4.98 117.44 116.41 1nut n TRP 90 Ca -0.03 0.60 -0.23 0.00 -0.00 0.00 0.00 57.50 57.85 1nut n TRP 90 Cb 0.64 -2.12 -0.14 0.00 -0.00 0.00 0.00 31.31 29.68 1nut n TRP 90 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 1nut s MET 91 N -1.78 1.19 0.53 5.87 -2.45 -1.26 -5.05 119.30 116.35 1nut s MET 91 Ca 0.63 -0.71 -0.21 0.00 -1.25 0.00 0.00 55.69 54.16 1nut s MET 91 Cb -0.60 -1.20 -0.06 0.00 1.25 0.00 0.00 34.83 34.22 1nut s MET 91 CO 0.57 0.32 1.19 -1.21 1.05 0.00 0.00 175.02 176.94 1nut s GLU 92 N -0.79 3.37 0.23 4.11 2.02 -1.26 -4.88 118.70 121.50 1nut s GLU 92 Ca 0.05 1.81 -0.07 0.00 0.02 0.00 0.00 54.97 56.78 1nut s GLU 92 Cb -0.07 -2.16 0.41 0.00 0.10 0.00 0.00 34.13 32.40 1nut s GLU 92 CO 0.01 -0.88 1.69 1.15 0.02 0.00 0.00 175.26 177.24 1nut h THR 93 N 1.39 0.55 -0.72 3.63 2.02 -2.00 -1.00 112.91 116.78 1nut h THR 93 Ca -0.50 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 66.68 1nut h THR 93 Cb 1.27 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 1nut h THR 93 CO 0.58 0.05 0.48 1.62 0.37 0.00 0.00 175.52 178.61 1nut h VAL 94 N 0.26 0.96 -0.10 3.16 3.04 -1.92 -1.03 116.25 120.62 1nut h VAL 94 Ca 0.38 -0.23 -0.11 0.00 -1.01 0.00 0.00 66.70 65.74 1nut h VAL 94 Cb 0.63 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1nut h VAL 94 CO -0.48 0.12 -0.42 0.11 -1.01 0.00 0.00 177.57 175.89 1nut h LYS 95 N 0.66 0.23 -0.30 4.17 1.57 -1.54 -1.51 116.57 119.85 1nut h LYS 95 Ca 0.33 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 1nut h LYS 95 Cb 0.41 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1nut h LYS 95 CO -0.11 0.62 -0.50 0.28 -0.57 0.00 0.00 179.45 179.17 1nut h VAL 96 N 0.19 1.28 -0.49 0.50 2.07 -1.08 -1.69 116.25 117.03 1nut h VAL 96 Ca 0.02 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1nut h VAL 96 Cb 0.83 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1nut h VAL 96 CO 0.07 0.55 0.28 -0.07 0.02 0.00 0.00 177.57 178.41 1nut h LEU 97 N 0.66 0.61 -0.57 2.57 3.38 -1.07 -1.61 115.31 119.28 1nut h LEU 97 Ca 0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nut h LEU 97 Cb 1.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1nut h LEU 97 CO 0.11 0.52 0.38 0.03 0.09 0.00 0.00 178.44 179.57 1nut h ARG 98 N 0.66 0.75 0.07 1.13 3.08 -1.16 0.16 114.38 119.07 1nut h ARG 98 Ca 0.17 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1nut h ARG 98 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1nut h ARG 98 CO -0.03 0.49 -0.08 1.25 -1.07 0.00 0.00 179.97 180.54 1nut h HIS 99 N 0.77 -0.20 0.00 3.04 2.76 -1.03 -0.17 115.15 120.32 1nut h HIS 99 Ca 0.21 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 1nut h HIS 99 Cb -0.08 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1nut h HIS 99 CO -0.04 -0.12 -0.36 0.45 -1.30 0.00 0.00 177.93 176.56 1nut h HIS 100 N -0.17 0.00 -0.32 5.26 3.86 -1.04 -1.15 115.15 121.59 1nut h HIS 100 Ca 0.01 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1nut h HIS 100 Cb 0.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1nut h HIS 100 CO -0.11 0.36 0.01 1.25 0.86 0.00 0.00 177.93 180.30 1nut h HIS 101 N 0.00 0.60 -0.96 2.45 6.17 -0.33 -2.50 115.15 120.58 1nut h HIS 101 Ca -0.00 -0.10 0.03 0.00 0.71 0.00 0.00 60.37 61.01 1nut h HIS 101 Cb 0.70 -0.16 -0.06 0.00 2.52 0.00 0.00 27.41 30.42 1nut h HIS 101 CO 0.00 0.66 0.63 0.77 0.71 0.00 0.00 177.93 180.71 1nut h SER 102 N 0.36 1.05 -0.92 3.26 0.02 -0.37 -1.67 113.55 115.28 1nut h SER 102 Ca 0.09 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1nut h SER 102 Cb 0.42 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1nut h SER 102 CO 0.01 0.72 0.60 0.50 -1.14 0.00 0.00 176.83 177.53 1nut h LYS 103 N 1.22 1.10 0.00 3.45 3.64 -0.95 0.44 116.57 125.47 1nut h LYS 103 Ca 0.38 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1nut h LYS 103 Cb -0.00 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 1nut h LYS 103 CO -0.11 0.73 0.00 1.28 -2.27 0.00 0.00 179.45 179.07 1nut n LEU 104 N -4.45 0.00 -4.71 5.20 4.77 -0.64 -5.11 117.00 112.06 1nut n LEU 104 Ca 0.13 0.42 -0.37 0.00 -0.03 0.00 0.00 56.01 56.15 1nut n LEU 104 Cb 0.12 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 1nut n LEU 104 CO 0.34 -0.19 -0.00 -0.76 -1.33 0.00 0.00 177.39 175.46 1nut s LEU 105 N -2.83 4.22 -0.68 2.23 1.43 0.14 -4.89 118.68 118.30 1nut s LEU 105 Ca 0.11 0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1nut s LEU 105 Cb 0.11 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1nut s LEU 105 CO 0.28 0.07 0.01 0.00 0.23 0.00 0.00 176.35 176.93 1nut n ALA 126 N 3.75 -1.45 -2.80 4.21 0.00 -1.26 -5.12 120.51 117.85 1nut n ALA 126 Ca -0.11 -0.19 -0.36 0.00 0.00 0.00 0.00 53.44 52.78 1nut n ALA 126 Cb 0.52 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.53 1nut n ALA 126 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nut s VAL 127 N -3.63 5.44 0.74 0.00 1.01 -1.26 -5.09 120.40 117.61 1nut s VAL 127 Ca 0.01 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1nut s VAL 127 Cb -0.00 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.97 1nut s VAL 127 CO 0.44 0.53 1.10 -2.16 0.00 0.00 0.00 175.10 175.01 1nut s PRO 128 N -0.39 2.41 -0.10 2.72 0.04 -1.26 -4.89 135.00 133.53 1nut s PRO 128 Ca 0.13 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 1nut s PRO 128 Cb -0.12 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1nut s PRO 128 CO 0.02 -1.54 0.58 -1.21 0.04 0.00 0.00 177.00 174.89 1nut s GLU 129 N -4.61 4.38 -0.27 4.56 2.02 0.21 -4.90 118.70 120.09 1nut s GLU 129 Ca 0.63 0.64 -0.13 0.00 0.02 0.00 0.00 54.97 56.13 1nut s GLU 129 Cb -0.19 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1nut s GLU 129 CO 0.51 0.10 0.30 -1.17 0.02 0.00 0.00 175.26 175.02 1nut s LEU 130 N 0.77 4.04 0.01 1.80 2.96 -1.26 -1.17 118.68 125.82 1nut s LEU 130 Ca 0.31 0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.49 1nut s LEU 130 Cb -0.16 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 1nut s LEU 130 CO 0.14 -0.13 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.25 1nut s LYS 131 N 1.91 1.88 0.04 1.98 1.02 -0.12 -4.07 119.74 122.38 1nut s LYS 131 Ca 0.12 -0.98 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 1nut s LYS 131 Cb -0.16 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1nut s LYS 131 CO 0.10 0.51 1.06 -1.17 -0.92 0.00 0.00 175.35 174.93 1nut s LEU 132 N -0.89 4.39 -0.16 3.17 2.96 -0.04 -0.83 118.68 127.28 1nut s LEU 132 Ca 0.10 1.82 -0.04 0.00 -0.22 0.00 0.00 54.13 55.78 1nut s LEU 132 Cb -0.10 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1nut s LEU 132 CO 0.00 -0.31 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.49 1nut s LEU 133 N 0.83 3.33 0.29 -0.68 2.96 0.16 -0.92 118.68 124.65 1nut s LEU 133 Ca 0.53 -0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.17 1nut s LEU 133 Cb -0.24 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1nut s LEU 133 CO 0.29 0.16 0.65 0.00 -1.32 0.00 0.00 176.35 176.12 1nut s GLY 135 N -2.99 1.54 0.62 0.00 0.00 -1.26 -0.84 107.32 104.39 1nut s GLY 135 Ca 0.16 -0.51 0.36 0.00 0.00 0.00 0.00 44.72 44.73 1nut s GLY 135 CO 0.09 -0.31 2.29 0.00 0.00 0.00 0.00 173.10 175.17 1nut h ALA 136 N 0.07 1.28 -0.29 3.20 0.00 -1.39 -1.61 119.26 120.53 1nut h ALA 136 Ca -0.46 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1nut h ALA 136 Cb 1.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1nut h ALA 136 CO 0.61 0.01 -0.14 0.38 0.00 0.00 0.00 179.25 180.11 1nut h ASP 137 N 0.00 0.49 -0.38 0.00 2.03 -1.93 -2.09 116.42 114.54 1nut h ASP 137 Ca -0.00 -0.13 -0.12 0.00 -0.73 0.00 0.00 57.03 56.05 1nut h ASP 137 Cb 0.03 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.38 1nut h ASP 137 CO 0.00 0.66 -0.20 0.58 -1.03 0.00 0.00 179.24 179.25 1nut h VAL 138 N 0.47 1.27 -0.22 4.15 2.07 -1.67 -2.53 116.25 119.79 1nut h VAL 138 Ca 0.08 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1nut h VAL 138 Cb 0.52 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1nut h VAL 138 CO 0.03 0.45 -0.01 0.25 0.02 0.00 0.00 177.57 178.32 1nut h LEU 139 N 0.76 0.29 -1.19 2.57 5.85 -1.39 -1.30 115.31 120.91 1nut h LEU 139 Ca 0.11 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1nut h LEU 139 Cb 0.74 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1nut h LEU 139 CO 0.06 0.36 -0.38 0.50 -0.34 0.00 0.00 178.44 178.64 1nut h LYS 140 N 0.32 0.00 0.00 1.25 3.64 -0.96 -2.91 116.57 117.91 1nut h LYS 140 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1nut h LYS 140 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1nut h LYS 140 CO 0.01 0.38 0.00 1.79 -2.27 0.00 0.00 179.45 179.35 1nut h THR 141 N 0.00 0.00 -0.20 1.00 1.35 -1.05 -2.58 112.91 111.43 1nut h THR 141 Ca -0.00 -0.25 0.06 0.00 -0.55 0.00 0.00 66.41 65.66 1nut h THR 141 Cb 0.74 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1nut h THR 141 CO 0.05 0.00 0.16 -0.26 -0.25 0.00 0.00 175.52 175.22 1nut h PHE 142 N 0.00 0.00 0.00 4.73 0.04 -1.57 -1.17 116.94 118.97 1nut h PHE 142 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1nut h PHE 142 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1nut h PHE 142 CO 0.00 0.00 -0.44 1.96 -0.60 0.00 0.00 178.31 179.23 1nut h GLN 143 N 0.00 0.00 -6.55 1.51 4.20 -1.68 -3.44 115.11 109.15 1nut h GLN 143 Ca 0.09 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.25 1nut h GLN 143 Cb 0.42 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.26 1nut h GLN 143 CO -0.00 0.44 0.94 2.41 -0.67 0.00 0.00 178.83 181.96 1nut n THR 144 N -3.39 0.09 -1.71 -0.54 -1.04 -0.44 -4.91 114.28 102.33 1nut n THR 144 Ca 0.01 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1nut n THR 144 Cb 0.61 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.28 1nut n THR 144 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1nut n PRO 145 N 4.14 2.79 -2.11 -2.82 -0.02 -1.26 -2.70 135.00 133.02 1nut n PRO 145 Ca 0.17 1.01 -0.19 0.00 -2.02 0.00 0.00 63.50 62.47 1nut n PRO 145 Cb 0.32 -2.86 -0.03 0.00 -0.02 0.00 0.00 33.50 30.91 1nut n PRO 145 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nut n ASN 146 N 4.27 -5.33 -0.13 2.55 3.02 -1.26 -4.89 115.26 113.49 1nut n ASN 146 Ca 0.16 0.12 -0.27 0.00 -0.03 0.00 0.00 54.58 54.57 1nut n ASN 146 Cb 0.35 -4.41 -0.09 0.00 -0.61 0.00 0.00 39.78 35.02 1nut n ASN 146 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1nut n LEU 147 N -2.50 1.95 -4.46 3.41 7.94 -1.10 -4.99 117.00 117.26 1nut n LEU 147 Ca -0.21 0.34 -0.31 0.00 -1.11 0.00 0.00 56.01 54.73 1nut n LEU 147 Cb 0.65 -0.81 -0.12 0.00 0.53 0.00 0.00 43.42 43.66 1nut n LEU 147 CO 0.26 0.44 -0.49 0.26 -1.11 0.00 0.00 177.39 176.75 1nut s TRP 148 N -2.56 2.55 0.04 1.96 0.52 -1.26 -5.10 118.94 115.09 1nut s TRP 148 Ca -0.37 -0.26 -0.28 0.00 0.02 0.00 0.00 56.10 55.21 1nut s TRP 148 Cb 0.13 -1.45 -0.05 0.00 -1.15 0.00 0.00 33.47 30.96 1nut s TRP 148 CO 0.48 0.27 0.88 0.15 0.02 0.00 0.00 176.95 178.76 1nut s LYS 149 N -1.53 4.57 0.32 4.98 1.02 -1.26 -4.92 119.74 122.92 1nut s LYS 149 Ca 0.15 1.27 0.09 0.00 0.02 0.00 0.00 55.97 57.50 1nut s LYS 149 Cb -0.10 -3.41 0.85 0.00 -0.52 0.00 0.00 37.83 34.65 1nut s LYS 149 CO 0.06 0.13 1.76 -0.44 -0.92 0.00 0.00 175.35 175.94 1nut h ASP 150 N 6.13 0.69 0.02 2.83 3.32 -1.99 0.26 116.42 127.69 1nut h ASP 150 Ca -0.42 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 1nut h ASP 150 Cb 1.21 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1nut h ASP 150 CO 0.73 0.19 -0.12 0.00 -1.72 0.00 0.00 179.24 178.32 1nut h ALA 151 N 1.67 1.54 -0.15 3.45 0.00 -1.99 -0.98 119.26 122.81 1nut h ALA 151 Ca 0.60 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 55.12 1nut h ALA 151 Cb 1.10 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1nut h ALA 151 CO -0.40 0.33 -0.68 0.45 0.00 0.00 0.00 179.25 178.95 1nut h HIS 152 N 0.21 0.97 -0.45 0.00 3.86 -0.90 -1.36 115.15 117.48 1nut h HIS 152 Ca 0.04 -0.42 0.01 0.00 -1.16 0.00 0.00 60.37 58.84 1nut h HIS 152 Cb 0.34 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1nut h HIS 152 CO 0.00 1.24 0.29 0.82 0.86 0.00 0.00 177.93 181.15 1nut h ILE 153 N 0.43 1.09 -0.29 2.45 2.04 -0.97 0.08 117.51 122.34 1nut h ILE 153 Ca -0.04 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1nut h ILE 153 Cb 1.32 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1nut h ILE 153 CO 0.14 0.11 0.13 -0.61 0.00 0.00 0.00 178.15 177.92 1nut h GLN 154 N 0.59 0.43 -0.71 2.37 4.15 -1.12 -1.57 115.11 119.25 1nut h GLN 154 Ca 0.17 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 1nut h GLN 154 Cb -0.04 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 1nut h GLN 154 CO -0.05 0.43 0.31 1.49 -1.93 0.00 0.00 178.83 179.08 1nut h GLU 155 N 0.33 1.03 0.06 1.69 4.81 -0.97 0.13 114.58 121.66 1nut h GLU 155 Ca 0.10 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1nut h GLU 155 Cb 0.16 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1nut h GLU 155 CO -0.01 0.82 -0.03 0.82 -0.73 0.00 0.00 179.01 179.88 1nut h ILE 156 N 1.01 1.04 0.00 2.32 2.04 -0.73 0.15 117.51 123.35 1nut h ILE 156 Ca 0.24 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 1nut h ILE 156 Cb 0.16 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1nut h ILE 156 CO -0.03 0.09 -0.49 -0.37 0.00 0.00 0.00 178.15 177.36 1nut h VAL 157 N -0.25 0.89 0.06 1.67 -1.51 -1.10 0.15 116.25 116.16 1nut h VAL 157 Ca -0.01 -2.07 -0.26 0.00 -1.23 0.00 0.00 66.70 63.13 1nut h VAL 157 Cb 0.21 2.31 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 1nut h VAL 157 CO 0.01 0.48 -1.38 -0.08 -1.23 0.00 0.00 177.57 175.37 1nut h GLU 158 N 0.00 0.12 0.00 5.19 4.81 -0.71 -3.35 114.58 120.64 1nut h GLU 158 Ca -0.00 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1nut h GLU 158 Cb 1.27 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1nut h GLU 158 CO 0.06 1.10 -0.97 0.87 -0.73 0.00 0.00 179.01 179.34 1nut h LYS 159 N -0.60 0.00 0.00 1.92 1.79 -1.12 -3.44 116.57 115.12 1nut h LYS 159 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1nut h LYS 159 Cb 1.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.21 1nut h LYS 159 CO -0.07 0.07 -0.05 1.19 -1.08 0.00 0.00 179.45 179.51 1nut n PHE 160 N -2.77 0.00 0.00 -1.35 3.72 -1.11 -4.88 117.46 111.07 1nut n PHE 160 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1nut n PHE 160 Cb 0.61 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1nut n PHE 160 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nut n GLY 161 N 3.10 3.57 2.90 1.37 0.00 0.50 -4.34 105.19 112.29 1nut n GLY 161 Ca -0.01 -1.81 -0.19 0.00 0.00 0.00 0.00 46.02 44.01 1nut n GLY 161 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nut s LEU 162 N 0.00 1.44 -0.23 0.99 2.96 -0.28 -0.86 118.68 122.70 1nut s LEU 162 Ca 0.00 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1nut s LEU 162 Cb 0.00 -0.41 0.04 0.00 0.50 0.00 0.00 46.19 46.32 1nut s LEU 162 CO 0.00 -0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.18 1nut s VAL 163 N 0.73 2.33 -0.18 1.68 1.01 -0.10 0.04 120.40 125.91 1nut s VAL 163 Ca -0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.57 1nut s VAL 163 Cb -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1nut s VAL 163 CO 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 175.10 175.25 1nut s VAL 165 N 0.80 5.24 0.62 0.00 1.01 -0.02 -0.80 120.40 127.24 1nut s VAL 165 Ca -0.01 0.61 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 1nut s VAL 165 Cb -0.15 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1nut s VAL 165 CO 0.02 0.49 1.30 -0.83 0.00 0.00 0.00 175.10 176.07 1nut s GLY 166 N -0.30 2.85 0.01 4.51 0.00 -0.32 -1.04 107.32 113.04 1nut s GLY 166 Ca 0.19 1.21 -0.00 0.00 0.00 0.00 0.00 44.72 46.13 1nut s GLY 166 CO 0.07 1.66 -0.01 0.50 0.00 0.00 0.00 173.10 175.32 1nut s ARG 167 N -3.26 0.15 0.32 2.90 0.52 -1.26 -4.76 118.95 113.56 1nut s ARG 167 Ca 0.79 -0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 55.41 1nut s ARG 167 Cb -0.37 0.05 -0.12 0.00 0.52 0.00 0.00 34.95 35.04 1nut s ARG 167 CO 0.40 -0.02 1.51 0.28 0.02 0.00 0.00 175.30 177.49 1nut n VAL 168 N 2.35 1.44 -0.41 3.52 0.31 -1.26 -2.14 118.33 122.14 1nut n VAL 168 Ca -0.18 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1nut n VAL 168 Cb 0.58 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1nut n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nut n SER 169 N 1.45 0.00 -4.51 4.52 7.64 -1.26 -5.04 113.62 116.42 1nut n SER 169 Ca 0.06 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 1nut n SER 169 Cb 0.37 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.45 1nut n SER 169 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nut s HIS 170 N -3.08 2.72 -0.65 1.43 4.02 -0.91 -5.08 115.29 113.74 1nut s HIS 170 Ca 0.00 -0.15 0.05 0.00 1.02 0.00 0.00 55.06 55.99 1nut s HIS 170 Cb 0.00 -1.56 0.19 0.00 -1.02 0.00 0.00 32.58 30.19 1nut s HIS 170 CO 0.00 0.28 0.54 -3.47 1.02 0.00 0.00 174.74 173.11 1nut n ASP 171 N 1.77 2.76 -0.29 1.40 2.03 -1.26 -4.75 116.55 118.22 1nut n ASP 171 Ca -0.16 -3.17 0.11 0.00 0.52 0.00 0.00 54.79 52.09 1nut n ASP 171 Cb 0.52 -0.72 0.26 0.00 -0.72 0.00 0.00 41.12 40.47 1nut n ASP 171 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1nut h PRO 172 N 5.09 0.21 -0.83 -0.67 0.11 -1.96 0.39 132.00 134.34 1nut h PRO 172 Ca 0.17 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.33 1nut h PRO 172 Cb 0.75 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.75 1nut h PRO 172 CO 0.70 0.14 0.50 0.87 -0.21 0.00 0.00 178.00 180.01 1nut h LYS 173 N 0.21 0.89 -0.41 1.05 1.57 -2.00 -1.02 116.57 116.87 1nut h LYS 173 Ca 0.52 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 59.09 1nut h LYS 173 Cb 1.01 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1nut h LYS 173 CO -0.63 0.59 -0.33 0.78 -0.57 0.00 0.00 179.45 179.29 1nut h GLY 174 N 0.92 1.04 0.91 3.86 0.00 -1.38 -1.69 103.07 106.73 1nut h GLY 174 Ca 0.36 -1.02 0.02 0.00 0.00 0.00 0.00 47.33 46.70 1nut h GLY 174 CO -0.18 0.92 0.49 -0.97 0.00 0.00 0.00 176.54 176.81 1nut h TYR 175 N 0.78 0.93 -0.35 5.60 0.05 -0.79 -1.25 116.97 121.94 1nut h TYR 175 Ca 0.08 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 1nut h TYR 175 Cb 0.92 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 1nut h TYR 175 CO 0.06 0.55 0.03 0.82 -1.05 0.00 0.00 178.16 178.57 1nut h ILE 176 N 0.98 1.25 0.00 -2.88 2.04 -1.09 -2.88 117.51 114.93 1nut h ILE 176 Ca 0.30 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1nut h ILE 176 Cb -0.02 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1nut h ILE 176 CO -0.10 0.30 -0.25 0.00 0.00 0.00 0.00 178.15 178.10 1nut h ALA 177 N 0.88 1.56 -0.07 1.87 0.00 -0.91 -2.85 119.26 119.74 1nut h ALA 177 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1nut h ALA 177 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nut h ALA 177 CO 0.01 0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.97 1nut n GLU 178 N -4.21 1.77 -4.01 0.00 1.02 -0.51 -4.75 120.64 109.95 1nut n GLU 178 Ca -0.02 -1.13 -0.34 0.00 -0.02 0.00 0.00 57.16 55.65 1nut n GLU 178 Cb 0.31 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 1nut n GLU 178 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nut s SER 179 N -1.86 4.05 0.45 1.62 0.15 -1.09 -4.99 113.70 112.03 1nut s SER 179 Ca 0.36 -0.86 0.14 0.00 0.70 0.00 0.00 55.95 56.28 1nut s SER 179 Cb 0.20 -1.61 1.07 0.00 -1.71 0.00 0.00 66.02 63.97 1nut s SER 179 CO 0.31 -0.10 2.03 -0.65 1.20 0.00 0.00 173.24 176.03 1nut h PRO 180 N 7.97 0.32 -0.12 5.44 0.11 -1.85 0.25 132.00 144.13 1nut h PRO 180 Ca -0.34 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 1nut h PRO 180 Cb 1.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nut h PRO 180 CO 0.58 0.21 -0.40 0.82 -0.21 0.00 0.00 178.00 178.99 1nut h ILE 181 N 0.33 1.37 -0.38 4.15 2.04 -1.94 -1.83 117.51 121.25 1nut h ILE 181 Ca 0.20 -1.72 -0.12 0.00 1.00 0.00 0.00 64.86 64.22 1nut h ILE 181 Cb 0.37 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1nut h ILE 181 CO -0.05 0.51 -0.24 -0.07 0.00 0.00 0.00 178.15 178.31 1nut h LEU 182 N 0.07 0.87 -0.47 1.44 3.38 -1.72 -2.74 115.31 116.14 1nut h LEU 182 Ca -0.02 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.55 1nut h LEU 182 Cb 1.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1nut h LEU 182 CO 0.09 1.10 0.27 -0.09 0.09 0.00 0.00 178.44 179.90 1nut h ARG 183 N 0.64 0.52 -0.14 1.13 2.43 -0.32 0.81 114.38 119.45 1nut h ARG 183 Ca 0.08 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1nut h ARG 183 Cb 0.80 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1nut h ARG 183 CO 0.07 0.35 -0.03 1.98 -1.51 0.00 0.00 179.97 180.83 1nut h MET 184 N 0.54 0.20 -0.28 0.20 4.05 -1.24 -2.83 114.93 115.57 1nut h MET 184 Ca 0.19 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.46 1nut h MET 184 Cb 0.03 -0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 30.72 1nut h MET 184 CO -0.10 0.25 -0.11 0.72 0.23 0.00 0.00 176.91 177.91 1nut n HIS 185 N -4.39 0.90 0.34 1.39 8.25 -0.89 -4.78 115.22 116.04 1nut n HIS 185 Ca -0.01 -1.45 0.22 0.00 -0.26 0.00 0.00 57.72 56.22 1nut n HIS 185 Cb 0.18 -0.42 1.20 0.00 1.12 0.00 0.00 29.99 32.07 1nut n HIS 185 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1nut h GLN 186 N 1.06 0.00 0.00 -0.41 3.07 -0.59 -0.47 115.11 117.77 1nut h GLN 186 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.88 1nut h GLN 186 Cb 1.53 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.09 1nut h GLN 186 CO 0.31 0.00 -0.06 1.12 0.09 0.00 0.00 178.83 180.28 1nut h HIS 187 N 0.00 0.00 -0.65 0.06 2.07 -1.86 -1.77 115.15 113.00 1nut h HIS 187 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1nut h HIS 187 Cb 0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.99 1nut h HIS 187 CO 0.00 0.06 0.00 0.09 -3.07 0.00 0.00 177.93 175.01 1nut n ASN 188 N -3.30 3.52 -4.18 3.10 5.03 -0.19 -4.81 115.26 114.44 1nut n ASN 188 Ca -0.01 -2.02 -0.34 0.00 0.87 0.00 0.00 54.58 53.09 1nut n ASN 188 Cb 0.25 -0.44 -0.15 0.00 -1.02 0.00 0.00 39.78 38.41 1nut n ASN 188 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nut s ILE 189 N -1.16 2.49 -0.27 2.41 1.01 -0.67 -1.12 121.20 123.90 1nut s ILE 189 Ca 0.44 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 1nut s ILE 189 Cb 0.23 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.62 1nut s ILE 189 CO 0.29 0.49 0.04 -1.00 0.00 0.00 0.00 174.94 174.76 1nut s HIS 190 N 1.35 3.10 -0.34 3.97 3.76 0.11 -4.97 115.29 122.27 1nut s HIS 190 Ca 0.05 -1.03 -0.19 0.00 -0.15 0.00 0.00 55.06 53.74 1nut s HIS 190 Cb -0.14 -2.20 -0.00 0.00 1.11 0.00 0.00 32.58 31.35 1nut s HIS 190 CO -0.10 -0.58 0.56 -0.51 -0.85 0.00 0.00 174.74 173.26 1nut s LEU 191 N 1.47 4.27 0.11 0.89 1.43 -1.26 -0.81 118.68 124.79 1nut s LEU 191 Ca 0.03 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1nut s LEU 191 Cb -0.16 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1nut s LEU 191 CO 0.00 -0.49 -0.11 0.00 0.23 0.00 0.00 176.35 175.99 1nut s ALA 192 N 2.49 2.93 -0.01 4.21 0.00 0.02 -4.97 121.76 126.42 1nut s ALA 192 Ca 0.21 -1.27 -0.28 0.00 0.00 0.00 0.00 51.96 50.62 1nut s ALA 192 Cb -0.15 -0.86 0.10 0.00 0.00 0.00 0.00 23.12 22.21 1nut s ALA 192 CO 0.13 0.63 0.85 -1.59 0.00 0.00 0.00 175.76 175.78 1nut s LYS 193 N -2.24 0.87 0.04 0.00 0.00 -1.26 -1.17 119.74 115.97 1nut s LYS 193 Ca 0.21 -0.23 0.02 0.00 0.00 0.00 0.00 55.97 55.98 1nut s LYS 193 Cb -0.11 0.40 -0.02 0.00 0.00 0.00 0.00 37.83 38.10 1nut s LYS 193 CO 0.13 -0.36 -0.08 -1.83 0.00 0.00 0.00 175.35 173.22 1nut s GLU 194 N -2.80 0.53 0.00 1.78 -1.05 -1.26 -5.01 118.70 110.88 1nut s GLU 194 Ca 0.02 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.15 1nut s GLU 194 Cb -0.01 -0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.35 1nut s GLU 194 CO -0.07 0.06 0.42 -2.30 0.95 0.00 0.00 175.26 174.32 1nut n PRO 195 N 1.65 0.27 -4.24 -4.83 -0.02 -1.26 -4.71 135.00 121.86 1nut n PRO 195 Ca -0.21 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 60.95 1nut n PRO 195 Cb 0.55 -1.37 -0.16 0.00 -0.02 0.00 0.00 33.50 32.50 1nut n PRO 195 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nut s VAL 196 N 1.14 1.88 -0.72 -1.45 1.01 -1.26 -5.07 120.40 115.94 1nut s VAL 196 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 1nut s VAL 196 Cb 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 36.38 34.74 1nut s VAL 196 CO 0.00 0.51 1.07 -1.58 0.00 0.00 0.00 175.10 175.10 1nut s GLN 197 N 1.21 3.20 -0.61 2.72 0.74 -1.26 -4.90 119.66 120.77 1nut s GLN 197 Ca 0.01 -0.82 0.06 0.00 0.05 0.00 0.00 55.36 54.66 1nut s GLN 197 Cb -0.14 -4.35 0.24 0.00 1.10 0.00 0.00 33.01 29.87 1nut s GLN 197 CO -0.09 -1.90 0.69 -1.71 -0.55 0.00 0.00 175.29 171.73 1nut n ASN 198 N 7.99 3.12 -4.35 6.67 5.15 -1.26 -5.00 115.26 127.59 1nut n ASN 198 Ca 0.02 -3.30 -0.46 0.00 -0.60 0.00 0.00 54.58 50.24 1nut n ASN 198 Cb 0.47 -0.67 -0.01 0.00 -0.53 0.00 0.00 39.78 39.04 1nut n ASN 198 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1nut s GLU 199 N -2.18 3.96 -0.21 1.20 0.41 -1.26 -4.96 118.70 115.66 1nut s GLU 199 Ca 0.38 -2.86 -0.04 0.00 -0.41 0.00 0.00 54.97 52.04 1nut s GLU 199 Cb 0.14 -4.55 -0.01 0.00 -1.78 0.00 0.00 34.13 27.93 1nut s GLU 199 CO -0.04 -1.30 -0.04 0.42 -0.49 0.00 0.00 175.26 173.81 1nut s ILE 200 N -0.47 3.52 -0.07 -1.63 1.01 -1.26 -5.10 121.20 117.20 1nut s ILE 200 Ca 0.27 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1nut s ILE 200 Cb -0.09 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1nut s ILE 200 CO -0.08 0.43 0.09 -0.94 0.00 0.00 0.00 174.94 174.44 1nut s SER 201 N 1.25 5.87 0.51 3.58 1.04 -1.26 -4.94 113.70 119.76 1nut s SER 201 Ca 0.03 0.28 0.18 0.00 0.48 0.00 0.00 55.95 56.92 1nut s SER 201 Cb -0.14 -1.78 1.28 0.00 0.10 0.00 0.00 66.02 65.48 1nut s SER 201 CO -0.01 0.35 2.12 0.00 0.98 0.00 0.00 173.24 176.69 1nut h ALA 202 N 4.70 1.84 -0.34 5.32 0.00 -1.91 -0.83 119.26 128.04 1nut h ALA 202 Ca -0.52 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.37 1nut h ALA 202 Cb 1.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1nut h ALA 202 CO 0.59 0.06 0.18 1.15 0.00 0.00 0.00 179.25 181.23 1nut h THR 203 N 0.00 1.01 -0.46 0.00 2.02 -1.93 0.45 112.91 114.01 1nut h THR 203 Ca -0.00 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1nut h THR 203 Cb 0.09 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1nut h THR 203 CO 0.01 0.07 0.28 0.22 0.37 0.00 0.00 175.52 176.47 1nut h TYR 204 N 0.38 0.60 -0.27 3.16 3.20 -1.60 -2.16 116.97 120.29 1nut h TYR 204 Ca 0.14 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.07 1nut h TYR 204 Cb 0.02 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.03 1nut h TYR 204 CO -0.08 0.41 -0.18 0.82 -1.64 0.00 0.00 178.16 177.48 1nut h ILE 205 N 0.61 0.49 -0.75 1.81 1.08 -0.58 -0.17 117.51 120.00 1nut h ILE 205 Ca 0.17 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 1nut h ILE 205 Cb -0.02 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.18 1nut h ILE 205 CO -0.03 0.00 0.50 0.03 -0.69 0.00 0.00 178.15 177.95 1nut h ARG 206 N -0.16 0.98 -0.36 2.37 3.08 -0.65 -1.16 114.38 118.47 1nut h ARG 206 Ca 0.15 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1nut h ARG 206 Cb 0.39 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1nut h ARG 206 CO -0.37 0.65 0.18 -0.09 -1.07 0.00 0.00 179.97 179.27 1nut h ARG 207 N 1.01 0.52 -0.37 0.04 2.43 -0.90 0.20 114.38 117.31 1nut h ARG 207 Ca 0.28 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1nut h ARG 207 Cb -0.11 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1nut h ARG 207 CO -0.06 0.45 0.23 0.00 -1.51 0.00 0.00 179.97 179.08 1nut h ALA 208 N 1.03 0.47 -0.95 2.80 0.00 -0.82 -1.43 119.26 120.36 1nut h ALA 208 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nut h ALA 208 Cb 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1nut h ALA 208 CO -0.02 -0.05 0.61 -0.07 0.00 0.00 0.00 179.25 179.72 1nut h LEU 209 N 0.49 1.12 -1.84 0.00 3.38 -0.91 -0.55 115.31 116.99 1nut h LEU 209 Ca 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1nut h LEU 209 Cb -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1nut h LEU 209 CO -0.03 0.83 -0.14 1.23 0.09 0.00 0.00 178.44 180.42 1nut h GLY 210 N 1.31 0.00 -1.75 0.83 0.00 -0.33 -1.61 103.07 101.52 1nut h GLY 210 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1nut h GLY 210 CO -0.07 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.41 1nut n GLN 211 N -3.83 2.20 -1.04 4.80 6.02 -0.58 -4.94 117.38 120.01 1nut n GLN 211 Ca -0.02 -1.82 -0.01 0.00 -0.01 0.00 0.00 57.00 55.14 1nut n GLN 211 Cb 0.24 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 1nut n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nut n GLY 212 N 1.35 0.49 3.91 1.08 0.00 -0.60 -5.02 105.19 106.40 1nut n GLY 212 Ca 0.18 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1nut n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nut s GLN 213 N -0.98 3.19 0.30 1.61 -0.21 -0.32 -5.01 119.66 118.24 1nut s GLN 213 Ca 0.00 0.09 -0.25 0.00 0.02 0.00 0.00 55.36 55.22 1nut s GLN 213 Cb 0.00 -2.31 -0.10 0.00 1.00 0.00 0.00 33.01 31.60 1nut s GLN 213 CO 0.00 -0.49 0.90 0.45 -2.12 0.00 0.00 175.29 174.03 1nut s SER 214 N -4.22 7.30 -0.07 5.90 0.15 -1.26 -4.31 113.70 117.19 1nut s SER 214 Ca 0.51 1.76 0.10 0.00 0.70 0.00 0.00 55.95 59.03 1nut s SER 214 Cb -0.10 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 61.81 1nut s SER 214 CO 0.45 -0.04 1.05 1.33 1.20 0.00 0.00 173.24 177.23 1nut n VAL 215 N 0.64 1.22 -1.83 4.45 0.24 -1.26 -4.95 118.33 116.83 1nut n VAL 215 Ca 0.01 -1.43 -0.40 0.00 -2.04 0.00 0.00 64.34 60.48 1nut n VAL 215 Cb 0.50 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1nut n VAL 215 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1nut s LYS 216 N -1.76 3.96 0.00 7.34 2.20 -1.26 -1.44 119.74 128.79 1nut s LYS 216 Ca 0.17 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 1nut s LYS 216 Cb 0.15 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1nut s LYS 216 CO 0.02 -0.61 0.00 0.66 -0.36 0.00 0.00 175.35 175.05 1nut n TYR 217 N 0.23 0.00 -0.07 4.03 4.01 -1.26 -4.77 117.16 119.33 1nut n TYR 217 Ca 0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.69 1nut n TYR 217 Cb 0.41 -0.40 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 1nut n TYR 217 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1nut n LEU 218 N 0.00 0.61 -4.22 7.72 4.77 -0.52 -4.99 117.00 120.37 1nut n LEU 218 Ca 0.00 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 1nut n LEU 218 Cb 0.02 0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1nut n LEU 218 CO 0.00 0.43 -0.41 0.27 -1.33 0.00 0.00 177.39 176.36 1nut s ILE 219 N -2.34 1.04 0.50 -0.08 -4.36 -1.12 -1.37 121.20 113.47 1nut s ILE 219 Ca -0.10 -1.92 -0.23 0.00 -0.26 0.00 0.00 60.65 58.15 1nut s ILE 219 Cb 0.05 -1.68 -0.07 0.00 1.25 0.00 0.00 42.46 42.01 1nut s ILE 219 CO 0.53 -0.70 1.23 -2.65 0.24 0.00 0.00 174.94 173.59 1nut n PRO 220 N 0.06 1.61 -0.34 0.37 -0.02 -1.26 -4.80 135.00 130.62 1nut n PRO 220 Ca -0.12 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1nut n PRO 220 Cb 0.60 -2.40 0.25 0.00 -0.02 0.00 0.00 33.50 31.93 1nut n PRO 220 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nut h ASP 221 N 1.50 0.90 0.24 2.55 3.32 -1.98 -0.64 116.42 122.31 1nut h ASP 221 Ca -0.49 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 1nut h ASP 221 Cb 1.31 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1nut h ASP 221 CO 0.57 0.51 -0.26 0.00 -1.72 0.00 0.00 179.24 178.34 1nut h ALA 222 N 1.53 1.52 -0.07 3.45 0.00 -1.89 -2.01 119.26 121.78 1nut h ALA 222 Ca 0.46 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 1nut h ALA 222 Cb 0.41 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nut h ALA 222 CO -0.22 0.36 -0.91 0.28 0.00 0.00 0.00 179.25 178.76 1nut h VAL 223 N 0.04 1.29 -0.75 0.00 2.07 -1.45 -2.79 116.25 114.65 1nut h VAL 223 Ca 0.00 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 1nut h VAL 223 Cb 0.49 2.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 1nut h VAL 223 CO 0.04 0.66 0.43 0.40 0.02 0.00 0.00 177.57 179.12 1nut h ILE 224 N 0.45 1.22 -0.54 4.57 2.04 -1.04 -0.93 117.51 123.28 1nut h ILE 224 Ca -0.09 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1nut h ILE 224 Cb 1.55 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1nut h ILE 224 CO 0.18 0.24 0.34 0.74 0.00 0.00 0.00 178.15 179.65 1nut h THR 225 N 1.04 1.15 -0.48 -0.27 2.02 -1.35 -0.98 112.91 114.04 1nut h THR 225 Ca 0.27 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1nut h THR 225 Cb 0.00 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1nut h THR 225 CO -0.05 0.15 0.13 0.22 0.37 0.00 0.00 175.52 176.34 1nut h TYR 226 N 0.73 0.80 -0.77 3.16 5.03 -1.19 0.43 116.97 125.16 1nut h TYR 226 Ca 0.20 -0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1nut h TYR 226 Cb -0.05 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 37.97 1nut h TYR 226 CO -0.03 0.71 0.47 0.82 -1.32 0.00 0.00 178.16 178.82 1nut h ILE 227 N 0.65 1.21 0.01 1.81 2.04 -0.87 -0.61 117.51 121.74 1nut h ILE 227 Ca 0.15 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1nut h ILE 227 Cb 0.31 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1nut h ILE 227 CO -0.00 0.22 -0.00 0.50 0.00 0.00 0.00 178.15 178.87 1nut h LYS 228 N 1.05 -0.01 -0.24 2.37 3.64 -0.89 -0.84 116.57 121.65 1nut h LYS 228 Ca 0.28 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1nut h LYS 228 Cb -0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1nut h LYS 228 CO -0.05 0.36 0.16 -0.44 -2.27 0.00 0.00 179.45 177.21 1nut h ASP 229 N -0.38 0.14 -0.43 4.20 3.32 -0.70 -2.52 116.42 120.06 1nut h ASP 229 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nut h ASP 229 Cb 0.38 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1nut h ASP 229 CO 0.00 0.10 0.00 1.41 -1.72 0.00 0.00 179.24 179.03 1nut n HIS 230 N -4.49 0.64 -3.84 4.55 8.25 -0.26 -4.99 115.22 115.08 1nut n HIS 230 Ca 0.02 -0.53 -0.26 0.00 -0.26 0.00 0.00 57.72 56.69 1nut n HIS 230 Cb 0.20 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.28 1nut n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nut n GLY 231 N 0.68 -0.37 3.92 -1.41 0.00 -0.43 -4.97 105.19 102.60 1nut n GLY 231 Ca 0.15 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 1nut n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nut s LEU 232 N -6.98 3.69 -1.61 0.99 1.43 -0.53 -4.33 118.68 111.35 1nut s LEU 232 Ca 0.29 0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1nut s LEU 232 Cb -0.15 -3.73 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1nut s LEU 232 CO 0.83 -0.54 0.36 -1.22 0.23 0.00 0.00 176.35 176.01 1nut n TYR 233 N -2.17 -1.60 1.86 0.29 4.01 -1.26 -4.88 117.16 113.42 1nut n TYR 233 Ca -0.00 0.31 0.15 0.00 -0.16 0.00 0.00 57.90 58.20 1nut n TYR 233 Cb 0.55 -4.18 0.88 0.00 -0.31 0.00 0.00 39.34 36.29 1nut n TYR 233 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81