#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nur s ILE 5 N 0.00 4.42 0.28 5.15 1.01 -0.63 -4.72 121.20 126.71 1nur s ILE 5 Ca 0.00 1.79 -0.29 0.00 0.00 0.00 0.00 60.65 62.14 1nur s ILE 5 Cb 0.00 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 1nur s ILE 5 CO 0.00 0.17 1.10 -2.84 0.00 0.00 0.00 174.94 173.37 1nur s PRO 6 N 0.80 4.63 -0.02 2.79 0.02 -1.26 -1.20 135.00 140.77 1nur s PRO 6 Ca 0.54 1.81 0.03 0.00 0.02 0.00 0.00 61.00 63.40 1nur s PRO 6 Cb -0.25 -3.19 -0.00 0.00 0.02 0.00 0.00 34.50 31.08 1nur s PRO 6 CO 0.29 0.20 -0.09 0.08 -0.33 0.00 0.00 177.00 177.15 1nur s VAL 7 N -1.12 0.78 -0.09 3.83 1.01 -0.36 0.27 120.40 124.72 1nur s VAL 7 Ca 0.45 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1nur s VAL 7 Cb -0.32 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1nur s VAL 7 CO 0.41 0.24 -0.19 -0.69 0.00 0.00 0.00 175.10 174.87 1nur s VAL 8 N 0.03 2.59 -0.16 2.92 1.01 -0.28 -0.85 120.40 125.67 1nur s VAL 8 Ca -0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1nur s VAL 8 Cb -0.07 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1nur s VAL 8 CO 0.00 0.56 0.05 -0.76 0.00 0.00 0.00 175.10 174.95 1nur s LEU 9 N -0.01 3.78 -0.17 3.92 1.43 0.28 -1.51 118.68 126.40 1nur s LEU 9 Ca -0.06 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1nur s LEU 9 Cb -0.15 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1nur s LEU 9 CO 0.05 0.23 -0.19 -0.22 0.23 0.00 0.00 176.35 176.45 1nur s LEU 10 N 0.06 2.24 -0.15 1.79 2.96 -0.18 0.21 118.68 125.60 1nur s LEU 10 Ca 0.05 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1nur s LEU 10 Cb -0.12 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1nur s LEU 10 CO 0.01 0.03 -0.11 0.00 -1.32 0.00 0.00 176.35 174.97 1nur s ALA 11 N 1.10 2.69 0.35 5.97 0.00 0.52 -0.26 121.76 132.13 1nur s ALA 11 Ca 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.08 1nur s ALA 11 Cb -0.14 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1nur s ALA 11 CO -0.07 0.08 0.27 0.00 0.00 0.00 0.00 175.76 176.04 1nur n GLY 13 N -1.35 -0.49 0.12 0.00 0.00 -1.24 -4.95 105.19 97.27 1nur n GLY 13 Ca -0.01 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.36 1nur n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nur h SER 14 N 0.00 0.00 -6.87 1.61 4.64 -1.93 -0.38 113.55 110.62 1nur h SER 14 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1nur h SER 14 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1nur h SER 14 CO 0.00 0.29 -1.02 0.49 -0.87 0.00 0.00 176.83 175.72 1nur n PHE 15 N -2.88 -1.51 -3.22 4.77 3.01 -1.26 -4.56 117.46 111.81 1nur n PHE 15 Ca -0.03 0.19 -0.27 0.00 1.01 0.00 0.00 57.45 58.35 1nur n PHE 15 Cb 0.68 -2.82 -0.06 0.00 -0.01 0.00 0.00 39.48 37.27 1nur n PHE 15 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1nur n ASN 16 N -2.24 4.09 -4.97 4.37 5.15 -1.26 -3.19 115.26 117.21 1nur n ASN 16 Ca -0.14 -3.55 -0.20 0.00 -0.60 0.00 0.00 54.58 50.09 1nur n ASN 16 Cb 0.58 -0.62 0.04 0.00 -0.53 0.00 0.00 39.78 39.24 1nur n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1nur s PRO 17 N -2.91 2.55 0.49 1.20 0.04 -1.26 -4.82 135.00 130.28 1nur s PRO 17 Ca 0.44 -0.99 -0.23 0.00 0.04 0.00 0.00 61.00 60.26 1nur s PRO 17 Cb 0.21 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 1nur s PRO 17 CO -0.07 -0.65 1.28 -1.50 0.04 0.00 0.00 177.00 176.11 1nur s ILE 18 N -2.67 2.54 0.40 0.56 2.07 -1.19 -4.85 121.20 118.06 1nur s ILE 18 Ca 0.58 0.42 0.04 0.00 -1.41 0.00 0.00 60.65 60.27 1nur s ILE 18 Cb -0.10 -3.22 -0.04 0.00 0.13 0.00 0.00 42.46 39.23 1nur s ILE 18 CO 0.37 0.01 0.07 0.42 -1.91 0.00 0.00 174.94 173.91 1nur s THR 19 N -1.38 1.02 0.46 4.00 -4.23 -1.26 -4.78 115.64 109.47 1nur s THR 19 Ca 0.66 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.38 1nur s THR 19 Cb -0.36 -2.52 0.26 0.00 1.34 0.00 0.00 72.50 71.22 1nur s THR 19 CO 0.44 0.00 2.07 0.78 -0.54 0.00 0.00 174.62 177.37 1nur h ASN 20 N 1.82 0.00 -0.24 3.99 2.35 -1.54 -2.47 115.58 119.49 1nur h ASN 20 Ca -0.39 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.25 1nur h ASN 20 Cb 1.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 1nur h ASN 20 CO 0.66 0.12 -0.26 -0.03 -1.65 0.00 0.00 177.43 176.27 1nur h MET 21 N 0.00 0.60 -0.77 0.81 4.05 -1.83 0.21 114.93 117.99 1nur h MET 21 Ca -0.00 -0.33 0.04 0.00 -0.28 0.00 0.00 59.70 59.13 1nur h MET 21 Cb 0.26 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.02 1nur h MET 21 CO 0.02 0.93 0.49 0.45 0.23 0.00 0.00 176.91 179.02 1nur h HIS 22 N 0.30 0.91 0.06 1.39 3.86 -1.83 -0.70 115.15 119.13 1nur h HIS 22 Ca 0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1nur h HIS 22 Cb 0.83 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1nur h HIS 22 CO 0.08 0.51 -0.03 -0.07 0.86 0.00 0.00 177.93 179.28 1nur h LEU 23 N 0.93 -0.07 -1.51 2.43 3.38 -1.31 -2.94 115.31 116.23 1nur h LEU 23 Ca 0.32 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 58.11 1nur h LEU 23 Cb 0.05 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1nur h LEU 23 CO -0.12 0.29 0.52 -0.09 0.09 0.00 0.00 178.44 179.13 1nur h ARG 24 N -0.44 0.47 -0.89 1.13 9.65 -0.40 -1.54 114.38 122.36 1nur h ARG 24 Ca -0.01 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 58.96 1nur h ARG 24 Cb 0.39 -0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 28.78 1nur h ARG 24 CO 0.01 0.31 0.52 1.98 2.80 0.00 0.00 179.97 185.60 1nur h MET 25 N 0.48 0.81 -0.39 0.20 4.05 -0.93 -1.25 114.93 117.90 1nur h MET 25 Ca 0.39 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.70 1nur h MET 25 Cb 0.81 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1nur h MET 25 CO -0.14 0.54 0.02 0.74 0.23 0.00 0.00 176.91 178.30 1nur h PHE 26 N 0.83 0.72 -0.69 1.39 -1.00 -1.33 -2.25 116.94 114.61 1nur h PHE 26 Ca 0.44 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 61.09 1nur h PHE 26 Cb 0.46 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.79 1nur h PHE 26 CO -0.05 0.74 0.38 0.93 -1.61 0.00 0.00 178.31 178.70 1nur h GLU 27 N 0.50 0.97 -0.16 1.51 4.39 -1.35 0.06 114.58 120.50 1nur h GLU 27 Ca 0.11 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1nur h GLU 27 Cb 0.43 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1nur h GLU 27 CO 0.02 0.73 -0.03 0.28 -1.16 0.00 0.00 179.01 178.85 1nur h VAL 28 N 0.95 1.28 -0.48 3.13 2.07 -1.24 -1.83 116.25 120.13 1nur h VAL 28 Ca 0.24 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.83 1nur h VAL 28 Cb 0.04 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1nur h VAL 28 CO -0.04 0.29 0.26 0.00 0.02 0.00 0.00 177.57 178.10 1nur h ALA 29 N 0.73 0.61 -0.04 1.67 0.00 -1.24 -1.02 119.26 119.97 1nur h ALA 29 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nur h ALA 29 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nur h ALA 29 CO 0.01 -0.07 0.02 -0.09 0.00 0.00 0.00 179.25 179.13 1nur h ARG 30 N 0.52 0.06 -0.70 0.00 2.43 -0.90 -0.90 114.38 114.88 1nur h ARG 30 Ca 0.20 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1nur h ARG 30 Cb 0.07 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1nur h ARG 30 CO -0.12 0.16 0.47 -0.44 -1.51 0.00 0.00 179.97 178.52 1nur h ASP 31 N -0.06 0.79 -0.01 -3.80 3.32 -1.18 -1.14 116.42 114.35 1nur h ASP 31 Ca 0.01 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nur h ASP 31 Cb 0.12 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1nur h ASP 31 CO -0.00 0.57 0.00 -0.74 -1.72 0.00 0.00 179.24 177.35 1nur h HIS 32 N 0.93 0.01 -0.81 4.55 2.76 -0.84 -0.44 115.15 121.31 1nur h HIS 32 Ca 0.26 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1nur h HIS 32 Cb -0.07 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.85 1nur h HIS 32 CO -0.00 0.18 0.43 -0.07 -1.30 0.00 0.00 177.93 177.17 1nur h LEU 33 N -0.16 1.01 -0.68 0.26 4.07 -0.83 -2.22 115.31 116.76 1nur h LEU 33 Ca 0.00 -0.09 -0.13 0.00 0.08 0.00 0.00 57.88 57.74 1nur h LEU 33 Cb 0.17 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1nur h LEU 33 CO -0.00 0.82 -0.40 0.45 -1.08 0.00 0.00 178.44 178.23 1nur h HIS 34 N 1.13 0.66 -0.53 1.13 3.86 -1.11 -2.88 115.15 117.41 1nur h HIS 34 Ca 0.28 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1nur h HIS 34 Cb 0.04 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1nur h HIS 34 CO 0.01 0.87 0.34 0.37 0.86 0.00 0.00 177.93 180.38 1nur h GLN 35 N 0.46 0.71 0.00 2.45 5.75 -0.47 -0.28 115.11 123.73 1nur h GLN 35 Ca 0.04 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1nur h GLN 35 Cb 0.90 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 1nur h GLN 35 CO 0.08 0.48 -0.08 1.79 -2.65 0.00 0.00 178.83 178.45 1nur h THR 36 N 0.73 0.74 0.00 2.39 1.35 -1.24 -3.46 112.91 113.42 1nur h THR 36 Ca 0.19 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1nur h THR 36 Cb -0.06 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1nur h THR 36 CO -0.04 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1nur n GLY 37 N -1.10 3.01 0.85 5.82 0.00 -0.12 -4.84 105.19 108.82 1nur n GLY 37 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1nur n GLY 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nur n MET 38 N -2.00 2.10 -4.00 1.61 0.00 -1.26 -4.82 117.12 108.75 1nur n MET 38 Ca 0.00 -1.68 -0.09 0.00 0.00 0.00 0.00 57.70 55.94 1nur n MET 38 Cb 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 33.22 31.69 1nur n MET 38 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1nur s TYR 39 N -1.53 0.30 -0.21 3.17 1.51 -1.26 -1.60 117.35 117.73 1nur s TYR 39 Ca 0.34 -0.61 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1nur s TYR 39 Cb 0.19 -0.22 0.06 0.00 -0.11 0.00 0.00 41.96 41.88 1nur s TYR 39 CO 0.26 -0.22 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.34 1nur s GLN 40 N -1.84 1.09 -0.17 -0.62 0.74 -0.34 -4.26 119.66 114.26 1nur s GLN 40 Ca -0.12 -0.67 -0.29 0.00 0.05 0.00 0.00 55.36 54.32 1nur s GLN 40 Cb -0.07 -2.32 -0.01 0.00 1.10 0.00 0.00 33.01 31.71 1nur s GLN 40 CO -0.02 -0.62 1.19 0.08 -0.55 0.00 0.00 175.29 175.37 1nur s VAL 41 N 1.65 4.40 -0.05 1.34 1.01 -1.26 -1.23 120.40 126.26 1nur s VAL 41 Ca -0.03 1.69 0.16 0.00 0.00 0.00 0.00 61.98 63.80 1nur s VAL 41 Cb -0.18 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 1nur s VAL 41 CO -0.07 -0.13 0.30 2.30 0.00 0.00 0.00 175.10 177.50 1nur n ILE 42 N 5.25 0.20 -3.55 2.22 -5.35 -0.03 -4.91 119.36 113.19 1nur n ILE 42 Ca 0.13 -0.42 -0.17 0.00 -0.27 0.00 0.00 62.75 62.02 1nur n ILE 42 Cb 0.45 -0.01 -0.06 0.00 -1.74 0.00 0.00 39.64 38.28 1nur n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1nur s GLN 43 N -2.98 1.01 0.04 6.28 2.00 -1.23 -4.93 119.66 119.84 1nur s GLN 43 Ca -0.06 0.19 0.09 0.00 -2.00 0.00 0.00 55.36 53.57 1nur s GLN 43 Cb 0.09 0.47 -0.03 0.00 0.80 0.00 0.00 33.01 34.35 1nur s GLN 43 CO 0.66 -0.31 -0.25 0.20 -0.50 0.00 0.00 175.29 175.09 1nur s GLY 44 N -1.23 1.42 -0.07 2.59 0.00 0.31 -0.55 107.32 109.78 1nur s GLY 44 Ca -0.11 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 1nur s GLY 44 CO 0.09 -1.12 -0.01 -0.42 0.00 0.00 0.00 173.10 171.64 1nur s ILE 45 N -0.80 0.46 -0.31 0.90 1.01 0.13 -0.84 121.20 121.74 1nur s ILE 45 Ca 0.12 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 1nur s ILE 45 Cb -0.10 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 1nur s ILE 45 CO 0.02 0.26 0.32 -0.63 0.00 0.00 0.00 174.94 174.91 1nur s ILE 46 N 1.78 5.21 -0.44 2.92 1.01 0.52 -0.35 121.20 131.84 1nur s ILE 46 Ca 0.02 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1nur s ILE 46 Cb -0.13 -3.73 0.12 0.00 0.01 0.00 0.00 42.46 38.73 1nur s ILE 46 CO -0.05 0.04 0.19 -0.55 0.00 0.00 0.00 174.94 174.57 1nur s SER 47 N 1.72 4.73 0.47 3.58 0.15 0.01 -0.92 113.70 123.43 1nur s SER 47 Ca 0.11 -2.52 -0.24 0.00 0.70 0.00 0.00 55.95 54.00 1nur s SER 47 Cb -0.16 -1.68 -0.07 0.00 -1.71 0.00 0.00 66.02 62.39 1nur s SER 47 CO 0.11 -0.35 1.33 -2.84 1.20 0.00 0.00 173.24 172.69 1nur s PRO 48 N 0.41 3.61 0.52 5.44 0.02 -1.26 -3.69 135.00 140.05 1nur s PRO 48 Ca 0.13 2.19 -0.20 0.00 0.02 0.00 0.00 61.00 63.14 1nur s PRO 48 Cb -0.22 -2.53 -0.06 0.00 0.02 0.00 0.00 34.50 31.71 1nur s PRO 48 CO -0.04 -0.80 1.14 0.54 -0.33 0.00 0.00 177.00 177.51 1nur s VAL 49 N -1.30 3.12 0.79 3.83 0.11 -0.15 -3.21 120.40 123.59 1nur s VAL 49 Ca 0.63 0.74 -0.11 0.00 -2.93 0.00 0.00 61.98 60.31 1nur s VAL 49 Cb -0.39 -3.32 0.06 0.00 -1.53 0.00 0.00 36.38 31.21 1nur s VAL 49 CO 0.48 -0.11 1.09 0.54 -3.33 0.00 0.00 175.10 173.77 1nur s ASN 50 N -1.65 4.55 0.52 3.54 4.22 -1.26 -4.69 114.94 120.17 1nur s ASN 50 Ca 0.70 1.40 0.28 0.00 -2.14 0.00 0.00 52.86 53.10 1nur s ASN 50 Cb -0.25 -2.15 1.39 0.00 1.28 0.00 0.00 41.25 41.52 1nur s ASN 50 CO 0.29 -1.94 2.04 0.44 -2.04 0.00 0.00 177.10 175.89 1nur h ASP 51 N -1.07 0.00 0.47 3.54 3.32 -1.92 -3.06 116.42 117.70 1nur h ASP 51 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1nur h ASP 51 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1nur h ASP 51 CO 0.58 0.13 0.00 0.35 -1.72 0.00 0.00 179.24 178.58 1nur n THR 52 N -3.54 0.72 -0.86 0.35 -2.24 -1.26 -4.86 114.28 102.59 1nur n THR 52 Ca -0.01 0.18 -0.35 0.00 -2.27 0.00 0.00 64.05 61.60 1nur n THR 52 Cb 0.27 -0.90 0.09 0.00 -2.10 0.00 0.00 70.33 67.70 1nur n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nur n TYR 53 N -1.42 -2.30 0.00 4.78 9.36 -1.16 -4.82 117.16 121.60 1nur n TYR 53 Ca 0.06 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1nur n TYR 53 Cb 0.17 -1.54 0.00 0.00 -0.63 0.00 0.00 39.34 37.34 1nur n TYR 53 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1nur n GLY 54 N 2.60 -2.58 0.00 2.98 0.00 -1.26 -4.85 105.19 102.08 1nur n GLY 54 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1nur n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nur n LYS 55 N -0.25 0.00 0.00 1.61 3.00 -1.26 -5.00 118.16 116.26 1nur n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1nur n LYS 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1nur n LYS 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1nur n LYS 56 N 0.00 0.00 -0.33 1.64 5.02 -1.26 -5.00 118.16 118.23 1nur n LYS 56 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1nur n LYS 56 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1nur n LYS 56 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1nur n ASP 57 N 0.00 2.31 -4.69 4.39 8.00 -1.26 -4.89 116.55 120.41 1nur n ASP 57 Ca 0.00 -1.77 -0.42 0.00 0.71 0.00 0.00 54.79 53.30 1nur n ASP 57 Cb 0.00 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 1nur n ASP 57 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nur s LEU 58 N 0.00 4.28 0.71 0.64 2.96 -1.26 -5.01 118.68 121.01 1nur s LEU 58 Ca 0.15 1.76 -0.14 0.00 -0.22 0.00 0.00 54.13 55.68 1nur s LEU 58 Cb 0.07 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.23 1nur s LEU 58 CO 0.00 -0.52 1.14 0.00 -1.32 0.00 0.00 176.35 175.65 1nur s ALA 59 N 2.00 2.26 0.29 5.97 0.00 -1.26 -4.90 121.76 126.11 1nur s ALA 59 Ca 0.54 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 1nur s ALA 59 Cb -0.23 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 1nur s ALA 59 CO 0.22 -1.63 1.24 0.00 0.00 0.00 0.00 175.76 175.59 1nur n ALA 60 N -2.76 0.71 -0.30 0.00 0.00 -1.26 -4.73 120.51 112.17 1nur n ALA 60 Ca 0.11 0.39 0.09 0.00 0.00 0.00 0.00 53.44 54.03 1nur n ALA 60 Cb 0.51 -2.18 0.25 0.00 0.00 0.00 0.00 19.45 18.03 1nur n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nur h SER 61 N 2.92 0.48 -0.02 0.00 4.64 -1.90 0.24 113.55 119.91 1nur h SER 61 Ca -0.44 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 1nur h SER 61 Cb 1.30 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1nur h SER 61 CO 0.66 0.16 -0.03 1.12 -0.87 0.00 0.00 176.83 177.87 1nur h HIS 62 N 0.56 0.15 -0.04 4.77 2.07 -1.94 0.29 115.15 121.01 1nur h HIS 62 Ca 0.49 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 58.00 1nur h HIS 62 Cb 0.78 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 30.71 1nur h HIS 62 CO -0.10 0.19 -0.02 0.45 -3.07 0.00 0.00 177.93 175.38 1nur h HIS 63 N 0.15 0.10 -0.76 6.12 -0.00 -1.31 0.11 115.15 119.55 1nur h HIS 63 Ca 0.04 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 1nur h HIS 63 Cb 0.16 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 1nur h HIS 63 CO 0.00 0.49 0.26 0.00 -0.00 0.00 0.00 177.93 178.68 1nur h ARG 64 N -0.32 1.16 -0.56 2.45 3.08 -0.83 0.02 114.38 119.39 1nur h ARG 64 Ca 0.01 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.74 1nur h ARG 64 Cb 0.46 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1nur h ARG 64 CO 0.01 0.97 0.03 0.28 -1.07 0.00 0.00 179.97 180.18 1nur h VAL 65 N 1.12 1.26 -0.62 2.04 2.07 -0.42 -1.61 116.25 120.10 1nur h VAL 65 Ca 0.25 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 1nur h VAL 65 Cb 0.28 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1nur h VAL 65 CO -0.01 0.39 0.17 0.00 0.02 0.00 0.00 177.57 178.14 1nur h ALA 66 N 0.97 0.81 -0.64 1.67 0.00 -0.48 -1.35 119.26 120.24 1nur h ALA 66 Ca 0.16 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1nur h ALA 66 Cb 0.50 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1nur h ALA 66 CO 0.02 0.50 0.13 0.52 0.00 0.00 0.00 179.25 180.42 1nur h MET 67 N 0.89 1.02 -0.49 0.00 2.07 -0.89 -1.25 114.93 116.28 1nur h MET 67 Ca 0.20 -0.25 -0.04 0.00 -2.07 0.00 0.00 59.70 57.54 1nur h MET 67 Cb 0.32 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 1nur h MET 67 CO -0.00 0.92 0.16 0.00 1.07 0.00 0.00 176.91 179.07 1nur h ALA 68 N 1.16 0.65 -0.41 6.32 0.00 -1.04 0.14 119.26 126.09 1nur h ALA 68 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nur h ALA 68 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nur h ALA 68 CO 0.01 0.29 0.26 -0.09 0.00 0.00 0.00 179.25 179.72 1nur h ARG 69 N 0.66 0.54 -0.63 0.00 2.43 -0.96 -0.91 114.38 115.52 1nur h ARG 69 Ca 0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1nur h ARG 69 Cb 0.26 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1nur h ARG 69 CO -0.01 0.37 0.30 -0.07 -1.51 0.00 0.00 179.97 179.05 1nur h LEU 70 N 0.55 0.82 -1.77 3.80 3.38 -0.94 -1.67 115.31 119.48 1nur h LEU 70 Ca 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1nur h LEU 70 Cb -0.05 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1nur h LEU 70 CO -0.03 0.72 -0.13 0.00 0.09 0.00 0.00 178.44 179.09 1nur h ALA 71 N 1.13 1.73 -0.02 1.53 0.00 -0.53 -2.80 119.26 120.30 1nur h ALA 71 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nur h ALA 71 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nur h ALA 71 CO -0.03 0.16 -0.01 1.28 0.00 0.00 0.00 179.25 180.65 1nur n LEU 72 N -4.31 2.16 -0.28 0.00 4.77 -0.39 -4.41 117.00 114.54 1nur n LEU 72 Ca -0.03 -0.72 0.13 0.00 -0.03 0.00 0.00 56.01 55.37 1nur n LEU 72 Cb 0.20 -0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.68 1nur n LEU 72 CO 0.35 0.36 1.22 1.56 -1.33 0.00 0.00 177.39 179.55 1nur h GLN 73 N 3.37 0.65 -0.07 3.23 4.20 -1.05 0.11 115.11 125.55 1nur h GLN 73 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1nur h GLN 73 Cb 0.72 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1nur h GLN 73 CO 0.00 0.43 0.00 0.25 -0.67 0.00 0.00 178.83 178.84 1nur n THR 74 N -4.58 0.08 -3.48 -0.54 -2.24 -1.26 -4.80 114.28 97.45 1nur n THR 74 Ca 0.19 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.43 1nur n THR 74 Cb 0.52 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 1nur n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nur s SER 75 N -1.68 6.47 0.00 3.42 0.15 0.40 -4.97 113.70 117.49 1nur s SER 75 Ca 0.33 0.55 0.23 0.00 0.70 0.00 0.00 55.95 57.76 1nur s SER 75 Cb 0.17 -2.20 0.51 0.00 -1.71 0.00 0.00 66.02 62.79 1nur s SER 75 CO 0.27 0.06 1.44 -0.90 1.20 0.00 0.00 173.24 175.31 1nur n ASP 76 N 3.69 2.85 0.00 5.45 5.75 -1.26 -4.43 116.55 128.60 1nur n ASP 76 Ca -0.11 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1nur n ASP 76 Cb 0.52 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1nur n ASP 76 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1nur n TRP 77 N 1.11 0.00 -4.65 2.11 4.27 -1.26 -5.08 117.44 113.94 1nur n TRP 77 Ca 0.18 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.45 1nur n TRP 77 Cb 0.52 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.34 1nur n TRP 77 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nur s ILE 78 N -0.24 3.51 0.07 -1.67 1.01 -1.26 -0.53 121.20 122.09 1nur s ILE 78 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1nur s ILE 78 Cb 0.00 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1nur s ILE 78 CO 0.00 0.56 -0.05 0.00 0.00 0.00 0.00 174.94 175.44 1nur s ARG 79 N -0.26 0.69 -0.00 2.79 1.70 -0.02 -4.83 118.95 119.03 1nur s ARG 79 Ca 0.03 -1.19 -0.11 0.00 -0.47 0.00 0.00 55.73 53.98 1nur s ARG 79 Cb -0.13 -0.05 -0.05 0.00 -0.57 0.00 0.00 34.95 34.15 1nur s ARG 79 CO 0.03 -0.04 0.34 0.54 -1.08 0.00 0.00 175.30 175.08 1nur s VAL 80 N -3.37 5.16 -0.21 4.99 0.11 -1.26 -0.36 120.40 125.46 1nur s VAL 80 Ca 0.06 0.56 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1nur s VAL 80 Cb 0.04 -3.62 0.05 0.00 -1.53 0.00 0.00 36.38 31.32 1nur s VAL 80 CO -0.06 0.49 -0.06 -0.62 -3.33 0.00 0.00 175.10 171.52 1nur s ASP 81 N -1.30 3.56 0.04 3.54 3.68 -0.09 -4.87 116.67 121.23 1nur s ASP 81 Ca 0.25 -1.02 0.16 0.00 2.13 0.00 0.00 52.55 54.07 1nur s ASP 81 Cb -0.15 -1.13 0.68 0.00 -1.45 0.00 0.00 42.92 40.87 1nur s ASP 81 CO 0.13 -0.21 1.50 -0.81 0.13 0.00 0.00 175.17 175.92 1nur n PRO 82 N 4.72 0.03 -0.25 4.34 -0.04 -1.26 -4.33 135.00 138.21 1nur n PRO 82 Ca -0.13 0.27 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 1nur n PRO 82 Cb 0.45 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1nur n PRO 82 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1nur h TRP 83 N 0.00 -1.49 -0.95 0.54 7.01 -1.95 -0.42 115.95 118.69 1nur h TRP 83 Ca 0.00 0.09 0.07 0.00 2.11 0.00 0.00 58.89 61.17 1nur h TRP 83 Cb 0.27 0.74 -0.07 0.00 -2.10 0.00 0.00 29.16 28.00 1nur h TRP 83 CO 0.00 -0.43 0.60 1.49 -2.79 0.00 0.00 178.44 177.31 1nur h GLU 84 N -0.21 1.04 0.00 2.65 4.81 -1.84 -1.32 114.58 119.71 1nur h GLU 84 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1nur h GLU 84 Cb 0.54 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1nur h GLU 84 CO -0.74 0.69 0.00 0.66 -0.73 0.00 0.00 179.01 178.89 1nur h SER 85 N 1.07 0.00 0.10 1.04 4.64 -1.15 -2.98 113.55 116.27 1nur h SER 85 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1nur h SER 85 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1nur h SER 85 CO -0.19 0.00 -0.13 -0.62 -0.87 0.00 0.00 176.83 175.02 1nur n GLU 86 N -3.04 1.30 -1.48 4.77 1.02 -0.30 -4.48 120.64 118.42 1nur n GLU 86 Ca 0.02 -0.79 -0.30 0.00 -0.02 0.00 0.00 57.16 56.06 1nur n GLU 86 Cb 0.36 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.38 1nur n GLU 86 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1nur s GLN 87 N -2.25 2.30 0.13 3.49 -1.52 -1.07 -4.95 119.66 115.79 1nur s GLN 87 Ca 0.31 0.83 -0.20 0.00 -1.95 0.00 0.00 55.36 54.35 1nur s GLN 87 Cb 0.20 -1.93 -0.03 0.00 -0.22 0.00 0.00 33.01 31.03 1nur s GLN 87 CO 0.43 -1.52 1.71 0.00 -0.25 0.00 0.00 175.29 175.66 1nur h ALA 88 N -1.02 0.13 -2.51 6.09 0.00 -1.91 -3.45 119.26 116.59 1nur h ALA 88 Ca -0.46 0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.24 1nur h ALA 88 Cb 1.25 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.03 1nur h ALA 88 CO 0.57 -0.47 -0.61 1.14 0.00 0.00 0.00 179.25 179.87 1nur s GLN 89 N -6.20 1.29 0.54 0.00 -2.07 -1.26 -4.83 119.66 107.13 1nur s GLN 89 Ca -0.13 -1.69 -0.19 0.00 -1.82 0.00 0.00 55.36 51.53 1nur s GLN 89 Cb 0.10 0.09 -0.10 0.00 -1.09 0.00 0.00 33.01 32.02 1nur s GLN 89 CO 0.68 -0.37 0.51 1.87 -1.32 0.00 0.00 175.29 176.67 1nur n TRP 90 N -0.35 -0.71 -4.06 9.60 -0.00 -1.26 -4.96 117.44 115.71 1nur n TRP 90 Ca 0.01 0.47 -0.13 0.00 -0.00 0.00 0.00 57.50 57.85 1nur n TRP 90 Cb 0.66 -1.96 -0.13 0.00 -0.00 0.00 0.00 31.31 29.89 1nur n TRP 90 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 1nur s MET 91 N -1.95 0.40 0.69 5.87 -1.94 -1.26 -5.07 119.30 116.04 1nur s MET 91 Ca 0.67 -0.47 -0.16 0.00 -1.71 0.00 0.00 55.69 54.02 1nur s MET 91 Cb -0.47 -0.23 0.02 0.00 2.01 0.00 0.00 34.83 36.15 1nur s MET 91 CO 0.56 0.05 1.21 -1.21 -0.01 0.00 0.00 175.02 175.62 1nur s GLU 92 N -0.93 2.39 0.19 2.03 8.01 -1.26 -4.87 118.70 124.25 1nur s GLU 92 Ca -0.06 1.79 -0.12 0.00 0.01 0.00 0.00 54.97 56.58 1nur s GLU 92 Cb -0.06 -1.86 0.20 0.00 -4.31 0.00 0.00 34.13 28.09 1nur s GLU 92 CO -0.00 -1.65 1.73 1.15 0.01 0.00 0.00 175.26 176.50 1nur h THR 93 N 0.05 0.78 -0.97 3.63 2.02 -2.00 -2.09 112.91 114.32 1nur h THR 93 Ca -0.49 -0.11 0.15 0.00 0.77 0.00 0.00 66.41 66.73 1nur h THR 93 Cb 1.30 0.44 -0.09 0.00 -1.74 0.00 0.00 68.15 68.06 1nur h THR 93 CO 0.51 0.06 0.61 -0.37 0.37 0.00 0.00 175.52 176.70 1nur h VAL 94 N 0.31 0.84 -0.22 3.16 -1.51 -1.92 -0.31 116.25 116.59 1nur h VAL 94 Ca 0.25 -0.29 -0.09 0.00 -1.23 0.00 0.00 66.70 65.35 1nur h VAL 94 Cb 0.31 -0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.37 1nur h VAL 94 CO -0.29 0.15 -0.25 0.11 -1.23 0.00 0.00 177.57 176.07 1nur h LYS 95 N 0.84 0.41 -0.19 5.19 1.57 -1.74 0.26 116.57 122.91 1nur h LYS 95 Ca 0.50 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.98 1nur h LYS 95 Cb 0.68 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1nur h LYS 95 CO -0.27 0.64 -0.52 0.28 -0.57 0.00 0.00 179.45 179.00 1nur h VAL 96 N 0.37 1.32 -0.61 0.50 2.07 -0.93 -1.71 116.25 117.26 1nur h VAL 96 Ca 0.06 -1.76 -0.09 0.00 0.82 0.00 0.00 66.70 65.73 1nur h VAL 96 Cb 0.64 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1nur h VAL 96 CO 0.05 0.55 0.03 -0.07 0.02 0.00 0.00 177.57 178.14 1nur h LEU 97 N 0.42 1.02 -0.02 2.57 3.38 -0.70 -2.25 115.31 119.73 1nur h LEU 97 Ca 0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1nur h LEU 97 Cb 1.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1nur h LEU 97 CO 0.10 1.05 0.00 0.03 0.09 0.00 0.00 178.44 179.71 1nur h ARG 98 N 0.96 0.03 -0.39 1.13 3.08 -0.78 -0.11 114.38 118.29 1nur h ARG 98 Ca 0.18 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.30 1nur h ARG 98 Cb 0.52 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.47 1nur h ARG 98 CO 0.02 0.24 -0.29 1.25 -1.07 0.00 0.00 179.97 180.12 1nur h HIS 99 N -0.19 -0.79 0.00 3.04 2.76 -1.23 0.24 115.15 118.98 1nur h HIS 99 Ca 0.01 0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 1nur h HIS 99 Cb 0.22 0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1nur h HIS 99 CO -0.00 -0.36 -0.27 0.45 -1.30 0.00 0.00 177.93 176.45 1nur h HIS 100 N -0.23 0.00 -0.39 5.26 3.86 -1.32 -1.81 115.15 120.52 1nur h HIS 100 Ca 0.18 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1nur h HIS 100 Cb 0.51 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1nur h HIS 100 CO -0.50 0.27 -0.09 1.25 0.86 0.00 0.00 177.93 179.71 1nur h HIS 101 N 0.00 0.85 -0.11 2.45 6.17 0.20 -1.94 115.15 122.77 1nur h HIS 101 Ca -0.00 -0.18 -0.02 0.00 0.71 0.00 0.00 60.37 60.87 1nur h HIS 101 Cb 0.61 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.32 1nur h HIS 101 CO 0.00 0.89 -0.04 0.77 0.71 0.00 0.00 177.93 180.25 1nur h SER 102 N 0.56 0.15 0.15 3.26 0.02 -0.39 -2.09 113.55 115.22 1nur h SER 102 Ca 0.10 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.80 1nur h SER 102 Cb 0.61 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.12 1nur h SER 102 CO 0.04 0.22 -0.94 0.11 -1.14 0.00 0.00 176.83 175.12 1nur h LYS 103 N 0.16 0.56 -0.82 3.45 1.57 -1.09 -0.75 116.57 119.65 1nur h LYS 103 Ca 0.04 -0.57 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1nur h LYS 103 Cb 0.19 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1nur h LYS 103 CO 0.01 1.19 0.50 -0.07 -0.57 0.00 0.00 179.45 180.51 1nur h LEU 104 N 0.33 0.99 -0.42 2.94 3.38 -0.70 -1.83 115.31 119.99 1nur h LEU 104 Ca -0.09 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.64 1nur h LEU 104 Cb 1.57 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1nur h LEU 104 CO 0.17 0.76 -0.68 -0.07 0.09 0.00 0.00 178.44 178.72 1nur h LEU 105 N 1.13 0.57 0.00 1.67 3.38 -1.44 -3.47 115.31 117.15 1nur h LEU 105 Ca 0.30 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1nur h LEU 105 Cb -0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1nur h LEU 105 CO -0.06 1.08 0.00 0.54 0.09 0.00 0.00 178.44 180.10 1nur n ARG 106 N -3.89 0.00 0.00 1.13 1.74 -0.29 -5.11 116.66 110.24 1nur n ARG 106 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1nur n ARG 106 Cb 0.68 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 1nur n ARG 106 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1nur n VAL 127 N 0.00 0.00 -1.83 1.55 0.31 -1.26 -4.84 118.33 112.25 1nur n VAL 127 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1nur n VAL 127 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 1nur n VAL 127 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1nur s PRO 128 N -1.31 3.30 -0.05 5.55 0.04 -1.26 -4.81 135.00 136.46 1nur s PRO 128 Ca 0.00 0.69 -0.22 0.00 0.04 0.00 0.00 61.00 61.52 1nur s PRO 128 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1nur s PRO 128 CO 0.00 -0.77 0.63 -1.21 0.04 0.00 0.00 177.00 175.68 1nur s GLU 129 N -5.21 4.38 -0.24 4.56 2.02 0.14 -4.87 118.70 119.48 1nur s GLU 129 Ca 0.56 0.76 -0.15 0.00 0.02 0.00 0.00 54.97 56.17 1nur s GLU 129 Cb -0.11 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 1nur s GLU 129 CO 0.54 0.20 0.36 -1.17 0.02 0.00 0.00 175.26 175.20 1nur s LEU 130 N 0.38 4.09 0.01 1.80 2.96 -1.26 -1.12 118.68 125.54 1nur s LEU 130 Ca 0.33 0.36 0.07 0.00 -0.22 0.00 0.00 54.13 54.68 1nur s LEU 130 Cb -0.18 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 1nur s LEU 130 CO 0.17 -0.11 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.32 1nur s LYS 131 N 1.65 1.65 0.11 1.98 1.02 -0.57 -3.22 119.74 122.35 1nur s LYS 131 Ca 0.16 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1nur s LYS 131 Cb -0.15 -1.67 -0.06 0.00 -0.52 0.00 0.00 37.83 35.43 1nur s LYS 131 CO 0.08 0.45 0.97 -1.17 -0.92 0.00 0.00 175.35 174.76 1nur s LEU 132 N -0.81 4.49 -0.17 3.17 2.96 -0.16 -1.01 118.68 127.15 1nur s LEU 132 Ca 0.08 1.79 -0.03 0.00 -0.22 0.00 0.00 54.13 55.76 1nur s LEU 132 Cb -0.09 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1nur s LEU 132 CO 0.00 -0.08 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.69 1nur s LEU 133 N 0.04 3.12 0.30 -0.68 2.96 0.64 -0.77 118.68 124.29 1nur s LEU 133 Ca 0.47 -0.21 -0.17 0.00 -0.22 0.00 0.00 54.13 54.01 1nur s LEU 133 Cb -0.23 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1nur s LEU 133 CO 0.30 0.13 0.67 0.00 -1.32 0.00 0.00 176.35 176.13 1nur s GLY 135 N -3.00 1.55 0.55 0.00 0.00 -1.26 -1.04 107.32 104.12 1nur s GLY 135 Ca 0.16 -0.70 0.26 0.00 0.00 0.00 0.00 44.72 44.44 1nur s GLY 135 CO 0.09 -0.49 2.02 0.00 0.00 0.00 0.00 173.10 174.72 1nur h ALA 136 N 0.10 2.26 -0.16 3.20 0.00 -1.18 -0.13 119.26 123.35 1nur h ALA 136 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1nur h ALA 136 Cb 1.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1nur h ALA 136 CO 0.60 -0.54 0.07 0.38 0.00 0.00 0.00 179.25 179.76 1nur h ASP 137 N 0.00 0.19 -0.70 0.00 2.03 -1.91 -2.05 116.42 113.97 1nur h ASP 137 Ca 0.19 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.44 1nur h ASP 137 Cb 0.85 -0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.27 1nur h ASP 137 CO -0.00 0.18 0.27 0.58 -1.03 0.00 0.00 179.24 179.23 1nur h VAL 138 N 0.22 1.25 -0.62 4.15 2.07 -1.38 -2.43 116.25 119.50 1nur h VAL 138 Ca 0.06 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1nur h VAL 138 Cb 0.04 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1nur h VAL 138 CO -0.01 0.32 0.41 -0.07 0.02 0.00 0.00 177.57 178.24 1nur h LEU 139 N 1.01 0.59 -1.15 2.57 3.38 -1.46 -0.55 115.31 119.70 1nur h LEU 139 Ca 0.23 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1nur h LEU 139 Cb 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1nur h LEU 139 CO -0.02 0.40 -0.42 0.50 0.09 0.00 0.00 178.44 178.99 1nur h LYS 140 N 0.68 0.01 0.00 1.13 3.64 -1.33 -2.75 116.57 117.94 1nur h LYS 140 Ca 0.26 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1nur h LYS 140 Cb 0.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1nur h LYS 140 CO -0.07 0.43 0.00 1.79 -2.27 0.00 0.00 179.45 179.32 1nur h THR 141 N 0.01 0.00 0.00 1.00 1.35 -0.91 -2.82 112.91 111.54 1nur h THR 141 Ca -0.00 -0.36 -0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1nur h THR 141 Cb 0.75 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1nur h THR 141 CO 0.06 0.00 -0.02 -0.26 -0.25 0.00 0.00 175.52 175.05 1nur h PHE 142 N 0.00 0.00 0.00 4.73 0.05 -1.43 -1.99 116.94 118.30 1nur h PHE 142 Ca 0.00 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 1nur h PHE 142 Cb 0.44 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.39 1nur h PHE 142 CO 0.00 0.02 -0.66 1.96 -0.18 0.00 0.00 178.31 179.44 1nur h GLN 143 N 0.00 0.00 -6.24 1.51 4.20 -1.68 -3.45 115.11 109.45 1nur h GLN 143 Ca -0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1nur h GLN 143 Cb 0.06 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.85 1nur h GLN 143 CO 0.00 0.00 1.22 2.41 -0.67 0.00 0.00 178.83 181.79 1nur n THR 144 N -2.83 0.58 -1.67 -0.54 -1.04 -0.75 -4.88 114.28 103.16 1nur n THR 144 Ca 0.01 -0.17 -0.45 0.00 -2.04 0.00 0.00 64.05 61.40 1nur n THR 144 Cb 0.55 -2.08 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 1nur n THR 144 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1nur n PRO 145 N 7.31 2.04 -2.16 -2.82 -0.02 -1.26 -2.15 135.00 135.94 1nur n PRO 145 Ca 0.24 0.73 -0.19 0.00 -2.02 0.00 0.00 63.50 62.25 1nur n PRO 145 Cb 0.34 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1nur n PRO 145 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nur n ASN 146 N 2.26 -5.44 -0.08 2.55 3.02 -1.26 -4.85 115.26 111.47 1nur n ASN 146 Ca 0.12 0.16 -0.10 0.00 -0.03 0.00 0.00 54.58 54.72 1nur n ASN 146 Cb 0.31 -4.62 -0.08 0.00 -0.61 0.00 0.00 39.78 34.78 1nur n ASN 146 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1nur n LEU 147 N -2.77 2.15 -4.19 3.41 7.94 -0.91 -5.01 117.00 117.62 1nur n LEU 147 Ca -0.22 -0.07 -0.21 0.00 -1.11 0.00 0.00 56.01 54.40 1nur n LEU 147 Cb 0.66 -0.33 -0.13 0.00 0.53 0.00 0.00 43.42 44.15 1nur n LEU 147 CO 0.28 0.66 -0.48 0.26 -1.11 0.00 0.00 177.39 176.99 1nur s TRP 148 N -2.33 1.41 0.01 1.96 0.52 -1.26 -5.11 118.94 114.14 1nur s TRP 148 Ca -0.18 -0.39 -0.21 0.00 0.02 0.00 0.00 56.10 55.34 1nur s TRP 148 Cb 0.05 -0.82 -0.06 0.00 -1.15 0.00 0.00 33.47 31.50 1nur s TRP 148 CO 0.43 0.08 0.60 0.15 0.02 0.00 0.00 176.95 178.23 1nur s LYS 149 N -1.40 4.31 0.25 4.98 1.02 -1.26 -4.95 119.74 122.69 1nur s LYS 149 Ca 0.03 0.75 -0.04 0.00 0.02 0.00 0.00 55.97 56.73 1nur s LYS 149 Cb -0.09 -3.33 0.40 0.00 -0.52 0.00 0.00 37.83 34.30 1nur s LYS 149 CO 0.02 0.40 1.82 -0.44 -0.92 0.00 0.00 175.35 176.23 1nur h ASP 150 N 5.49 0.75 -0.90 2.83 3.32 -1.99 -1.18 116.42 124.73 1nur h ASP 150 Ca -0.46 0.04 0.12 0.00 0.02 0.00 0.00 57.03 56.76 1nur h ASP 150 Cb 1.20 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.56 1nur h ASP 150 CO 0.69 0.44 0.52 0.00 -1.72 0.00 0.00 179.24 179.17 1nur h ALA 151 N 1.46 1.35 -0.24 3.45 0.00 -1.99 0.14 119.26 123.43 1nur h ALA 151 Ca 0.41 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 1nur h ALA 151 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1nur h ALA 151 CO -0.23 0.08 -0.13 0.45 0.00 0.00 0.00 179.25 179.41 1nur h HIS 152 N 0.81 0.59 -0.60 0.00 3.86 -1.64 -0.62 115.15 117.54 1nur h HIS 152 Ca 0.46 -0.15 0.03 0.00 -1.16 0.00 0.00 60.37 59.54 1nur h HIS 152 Cb 0.52 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 1nur h HIS 152 CO -0.05 0.79 0.37 0.82 0.86 0.00 0.00 177.93 180.72 1nur h ILE 153 N 0.22 1.07 -0.27 2.45 2.04 -0.57 -0.23 117.51 122.23 1nur h ILE 153 Ca 0.05 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1nur h ILE 153 Cb 0.65 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1nur h ILE 153 CO 0.04 0.13 0.15 -0.61 0.00 0.00 0.00 178.15 177.86 1nur h GLN 154 N 0.73 0.37 -0.76 2.37 4.15 -0.66 -2.48 115.11 118.83 1nur h GLN 154 Ca 0.24 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1nur h GLN 154 Cb 0.02 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 1nur h GLN 154 CO -0.10 0.33 0.47 1.49 -1.93 0.00 0.00 178.83 179.09 1nur h GLU 155 N 0.32 1.02 -0.39 1.69 4.81 -0.61 0.30 114.58 121.72 1nur h GLU 155 Ca 0.09 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1nur h GLU 155 Cb 0.06 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 1nur h GLU 155 CO -0.02 0.71 0.10 0.82 -0.73 0.00 0.00 179.01 179.89 1nur h ILE 156 N 1.04 0.83 0.00 2.32 2.04 -0.80 0.29 117.51 123.23 1nur h ILE 156 Ca 0.27 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1nur h ILE 156 Cb -0.07 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1nur h ILE 156 CO -0.05 0.04 -0.65 1.33 0.00 0.00 0.00 178.15 178.82 1nur n VAL 157 N -5.07 0.16 -0.13 1.67 0.24 -0.95 -1.30 118.33 112.95 1nur n VAL 157 Ca 0.02 -0.14 -0.23 0.00 -2.04 0.00 0.00 64.34 61.95 1nur n VAL 157 Cb 0.17 0.11 -0.11 0.00 -1.47 0.00 0.00 33.84 32.54 1nur n VAL 157 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1nur n GLU 158 N -1.81 0.61 0.06 7.34 2.13 0.11 -4.64 120.64 124.44 1nur n GLU 158 Ca 0.04 0.19 -0.23 0.00 0.66 0.00 0.00 57.16 57.83 1nur n GLU 158 Cb 0.39 -1.49 -0.15 0.00 0.27 0.00 0.00 31.44 30.46 1nur n GLU 158 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1nur h LYS 159 N -0.42 0.37 0.00 5.31 3.64 -0.59 -3.48 116.57 121.40 1nur h LYS 159 Ca -0.62 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.12 1nur h LYS 159 Cb 1.76 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 1nur h LYS 159 CO -0.23 1.31 0.00 1.19 -2.27 0.00 0.00 179.45 179.44 1nur n PHE 160 N -3.70 0.00 -3.89 1.91 3.01 -1.05 -4.96 117.46 108.79 1nur n PHE 160 Ca -0.24 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.14 1nur n PHE 160 Cb 1.03 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.49 1nur n PHE 160 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1nur s GLY 161 N 0.00 0.25 -0.04 1.37 0.00 -0.42 -4.60 107.32 103.87 1nur s GLY 161 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 44.72 44.11 1nur s GLY 161 CO 0.00 -0.30 -0.00 -2.27 0.00 0.00 0.00 173.10 170.53 1nur s LEU 162 N -3.00 0.93 -0.19 0.66 2.96 0.57 -0.99 118.68 119.63 1nur s LEU 162 Ca 0.15 -0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1nur s LEU 162 Cb -0.04 -0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.35 1nur s LEU 162 CO 0.09 -0.13 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.14 1nur s VAL 163 N 1.38 2.39 -0.17 1.68 1.01 0.05 0.62 120.40 127.36 1nur s VAL 163 Ca -0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1nur s VAL 163 Cb -0.13 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1nur s VAL 163 CO -0.02 0.51 -0.02 0.00 0.00 0.00 0.00 175.10 175.57 1nur s VAL 165 N 0.62 4.86 0.56 0.00 1.01 -0.20 0.27 120.40 127.52 1nur s VAL 165 Ca -0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1nur s VAL 165 Cb -0.14 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1nur s VAL 165 CO 0.02 0.55 1.31 -0.83 0.00 0.00 0.00 175.10 176.16 1nur s GLY 166 N -0.42 2.86 -0.03 4.51 0.00 -0.48 -0.66 107.32 113.09 1nur s GLY 166 Ca 0.10 1.24 -0.02 0.00 0.00 0.00 0.00 44.72 46.03 1nur s GLY 166 CO 0.02 1.73 0.08 0.50 0.00 0.00 0.00 173.10 175.42 1nur s ARG 167 N -3.01 0.08 0.08 2.90 0.52 -1.26 -4.66 118.95 113.59 1nur s ARG 167 Ca 0.73 0.13 -0.36 0.00 -0.52 0.00 0.00 55.73 55.71 1nur s ARG 167 Cb -0.38 -0.00 -0.16 0.00 0.52 0.00 0.00 34.95 34.93 1nur s ARG 167 CO 0.43 -0.04 1.38 0.28 0.02 0.00 0.00 175.30 177.38 1nur n VAL 168 N 3.24 0.01 -0.33 3.52 0.31 -1.26 -1.46 118.33 122.36 1nur n VAL 168 Ca -0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1nur n VAL 168 Cb 0.58 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1nur n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nur n SER 169 N 2.71 0.00 -4.54 4.52 7.64 -1.26 -5.05 113.62 117.65 1nur n SER 169 Ca 0.18 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.73 1nur n SER 169 Cb 0.20 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.28 1nur n SER 169 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nur s HIS 170 N -2.85 2.82 -0.76 1.43 4.02 -0.53 -5.06 115.29 114.36 1nur s HIS 170 Ca 0.00 -0.07 0.03 0.00 1.02 0.00 0.00 55.06 56.04 1nur s HIS 170 Cb 0.00 -1.65 0.18 0.00 -1.02 0.00 0.00 32.58 30.09 1nur s HIS 170 CO 0.00 0.28 0.57 0.34 1.02 0.00 0.00 174.74 176.95 1nur s ASP 171 N -0.90 5.16 0.23 1.40 2.15 -1.26 -4.75 116.67 118.70 1nur s ASP 171 Ca 0.13 -3.82 -0.10 0.00 0.43 0.00 0.00 52.55 49.19 1nur s ASP 171 Cb -0.11 -1.72 0.35 0.00 -0.30 0.00 0.00 42.92 41.14 1nur s ASP 171 CO 0.02 -0.11 1.63 -0.65 -0.17 0.00 0.00 175.17 175.89 1nur h PRO 172 N 5.58 0.06 -0.94 4.34 0.11 -1.95 -0.36 132.00 138.83 1nur h PRO 172 Ca 0.15 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.35 1nur h PRO 172 Cb 0.77 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.80 1nur h PRO 172 CO 0.76 0.04 0.60 0.87 -0.21 0.00 0.00 178.00 180.06 1nur h LYS 173 N 0.07 0.92 -0.09 1.05 1.57 -1.99 -0.49 116.57 117.61 1nur h LYS 173 Ca 0.36 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.92 1nur h LYS 173 Cb 0.60 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1nur h LYS 173 CO -0.65 0.61 -0.68 0.78 -0.57 0.00 0.00 179.45 178.93 1nur h GLY 174 N 0.95 0.41 0.95 3.86 0.00 -1.52 -1.31 103.07 106.42 1nur h GLY 174 Ca 0.44 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1nur h GLY 174 CO -0.20 0.49 0.19 -0.97 0.00 0.00 0.00 176.54 176.05 1nur h TYR 175 N 0.26 0.54 0.04 5.60 0.99 -0.54 -1.35 116.97 122.52 1nur h TYR 175 Ca -0.02 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 1nur h TYR 175 Cb 1.24 -0.17 0.00 0.00 1.00 0.00 0.00 36.73 38.80 1nur h TYR 175 CO 0.04 0.45 -0.02 0.82 -0.00 0.00 0.00 178.16 179.45 1nur h ILE 176 N 0.48 1.05 -0.23 -2.88 2.04 -1.06 -2.79 117.51 114.12 1nur h ILE 176 Ca 0.13 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1nur h ILE 176 Cb 0.10 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1nur h ILE 176 CO -0.02 0.07 0.06 0.00 0.00 0.00 0.00 178.15 178.26 1nur h ALA 177 N 0.78 1.69 -0.01 1.87 0.00 -1.13 -2.73 119.26 119.74 1nur h ALA 177 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nur h ALA 177 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nur h ALA 177 CO 0.01 0.25 -0.18 0.39 0.00 0.00 0.00 179.25 179.71 1nur n GLU 178 N -4.41 0.81 -3.60 0.00 1.02 -0.52 -4.76 120.64 109.17 1nur n GLU 178 Ca 0.00 -0.40 -0.39 0.00 -0.02 0.00 0.00 57.16 56.35 1nur n GLU 178 Cb 0.15 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 29.96 1nur n GLU 178 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nur s SER 179 N -2.47 5.77 0.55 1.62 0.15 -1.05 -4.96 113.70 113.32 1nur s SER 179 Ca 0.27 -0.49 0.26 0.00 0.70 0.00 0.00 55.95 56.69 1nur s SER 179 Cb 0.20 -2.06 1.47 0.00 -1.71 0.00 0.00 66.02 63.92 1nur s SER 179 CO 0.49 -0.21 2.03 1.55 1.20 0.00 0.00 173.24 178.30 1nur h PRO 180 N 8.41 0.00 0.00 5.44 0.13 -1.86 -1.22 132.00 142.91 1nur h PRO 180 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1nur h PRO 180 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1nur h PRO 180 CO 0.62 0.00 -0.09 0.82 -0.23 0.00 0.00 178.00 179.12 1nur h ILE 181 N 0.00 1.56 -0.50 -3.56 2.04 -1.92 -3.34 117.51 111.79 1nur h ILE 181 Ca 0.18 -2.21 -0.02 0.00 1.00 0.00 0.00 64.86 63.81 1nur h ILE 181 Cb 0.79 2.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.84 1nur h ILE 181 CO -0.00 0.53 0.22 -0.07 0.00 0.00 0.00 178.15 178.83 1nur h LEU 182 N -1.00 0.66 -1.76 1.44 3.38 -1.74 -2.65 115.31 113.65 1nur h LEU 182 Ca -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1nur h LEU 182 Cb 0.93 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1nur h LEU 182 CO -0.02 0.62 0.00 0.08 0.09 0.00 0.00 178.44 179.22 1nur h ARG 183 N 0.66 0.00 0.00 1.13 0.11 -1.03 -0.49 114.38 114.77 1nur h ARG 183 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 1nur h ARG 183 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1nur h ARG 183 CO -0.02 0.00 -0.16 -1.33 0.10 0.00 0.00 179.97 178.56 1nur n MET 184 N -2.65 0.20 -1.70 0.08 2.81 -1.00 -4.05 117.12 110.81 1nur n MET 184 Ca -0.01 0.13 -0.06 0.00 -1.81 0.00 0.00 57.70 55.96 1nur n MET 184 Cb 0.13 -1.70 0.08 0.00 -0.71 0.00 0.00 33.22 31.02 1nur n MET 184 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1nur n HIS 185 N -2.04 1.20 0.25 2.03 8.25 -0.20 -4.87 115.22 119.85 1nur n HIS 185 Ca 0.05 -1.71 0.18 0.00 -0.26 0.00 0.00 57.72 55.98 1nur n HIS 185 Cb 0.41 -0.26 0.90 0.00 1.12 0.00 0.00 29.99 32.16 1nur n HIS 185 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1nur h GLN 186 N 1.73 0.00 0.00 -0.41 4.20 -1.69 -1.03 115.11 117.92 1nur h GLN 186 Ca 0.06 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1nur h GLN 186 Cb 1.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 1nur h GLN 186 CO 0.32 0.00 -0.34 1.25 -0.67 0.00 0.00 178.83 179.39 1nur h HIS 187 N 0.00 0.00 -0.50 2.96 2.76 -1.92 -2.91 115.15 115.54 1nur h HIS 187 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1nur h HIS 187 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1nur h HIS 187 CO 0.00 0.34 0.00 0.09 -1.30 0.00 0.00 177.93 177.06 1nur n ASN 188 N -3.93 3.46 -4.23 3.26 5.03 -0.39 -4.84 115.26 113.61 1nur n ASN 188 Ca -0.02 -1.98 -0.34 0.00 0.87 0.00 0.00 54.58 53.11 1nur n ASN 188 Cb 0.40 -0.32 -0.15 0.00 -1.02 0.00 0.00 39.78 38.69 1nur n ASN 188 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nur s ILE 189 N -1.35 2.83 -0.20 2.41 1.01 -1.10 -0.31 121.20 124.48 1nur s ILE 189 Ca 0.41 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 1nur s ILE 189 Cb 0.23 -2.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 1nur s ILE 189 CO 0.31 0.47 -0.09 -1.00 0.00 0.00 0.00 174.94 174.64 1nur s HIS 190 N 1.36 2.90 -0.38 3.97 3.76 0.20 -4.93 115.29 122.18 1nur s HIS 190 Ca 0.05 -1.09 -0.18 0.00 -0.15 0.00 0.00 55.06 53.68 1nur s HIS 190 Cb -0.14 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.52 1nur s HIS 190 CO -0.07 -0.59 0.50 -0.51 -0.85 0.00 0.00 174.74 173.22 1nur s LEU 191 N 1.33 4.49 -0.26 0.89 1.43 -1.26 0.46 118.68 125.76 1nur s LEU 191 Ca 0.04 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1nur s LEU 191 Cb -0.14 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1nur s LEU 191 CO -0.05 -0.53 0.11 0.00 0.23 0.00 0.00 176.35 176.11 1nur s ALA 192 N 2.36 3.29 0.25 4.21 0.00 0.14 -4.96 121.76 127.05 1nur s ALA 192 Ca 0.17 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1nur s ALA 192 Cb -0.16 -2.20 -0.09 0.00 0.00 0.00 0.00 23.12 20.67 1nur s ALA 192 CO 0.14 -0.48 1.05 -1.59 0.00 0.00 0.00 175.76 174.88 1nur s LYS 193 N 1.60 4.70 -0.75 0.00 -2.85 -1.26 -1.39 119.74 119.79 1nur s LYS 193 Ca 0.06 1.69 -0.04 0.00 -1.00 0.00 0.00 55.97 56.69 1nur s LYS 193 Cb -0.15 -3.23 0.19 0.00 -2.06 0.00 0.00 37.83 32.57 1nur s LYS 193 CO 0.06 0.29 0.61 -2.00 0.10 0.00 0.00 175.35 174.40 1nur s GLU 194 N -1.17 2.96 0.53 1.78 2.56 -1.26 -4.81 118.70 119.29 1nur s GLU 194 Ca 0.44 -2.82 0.31 0.00 0.00 0.00 0.00 54.97 52.90 1nur s GLU 194 Cb -0.30 -3.90 1.68 0.00 2.00 0.00 0.00 34.13 33.62 1nur s GLU 194 CO 0.37 -1.22 1.93 -1.00 -0.56 0.00 0.00 175.26 174.78 1nur h PRO 195 N 6.70 0.00 -4.87 4.30 0.13 -1.97 -3.39 132.00 132.90 1nur h PRO 195 Ca 0.07 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.53 1nur h PRO 195 Cb 0.91 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.79 1nur h PRO 195 CO 0.77 0.00 -0.62 0.08 -0.23 0.00 0.00 178.00 178.00 1nur s VAL 196 N -3.87 4.16 -1.18 1.56 1.01 -1.26 -5.01 120.40 115.80 1nur s VAL 196 Ca -0.03 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 1nur s VAL 196 Cb 0.09 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1nur s VAL 196 CO 0.28 0.21 1.97 0.00 0.00 0.00 0.00 175.10 177.56 1nur n GLN 197 N 4.90 2.33 -2.04 2.72 6.02 -1.26 -4.73 117.38 125.32 1nur n GLN 197 Ca -0.15 -2.54 -0.38 0.00 -0.01 0.00 0.00 57.00 53.92 1nur n GLN 197 Cb 0.50 -3.33 0.01 0.00 1.02 0.00 0.00 30.24 28.45 1nur n GLN 197 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1nur n ASN 198 N 8.65 7.36 -4.44 1.08 2.85 -1.26 -4.95 115.26 124.55 1nur n ASN 198 Ca 0.49 -3.64 -0.44 0.00 -0.11 0.00 0.00 54.58 50.89 1nur n ASN 198 Cb 0.43 -1.15 -0.03 0.00 1.24 0.00 0.00 39.78 40.27 1nur n ASN 198 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1nur s GLU 199 N -3.51 3.40 -0.15 1.20 2.02 -1.26 -4.67 118.70 115.73 1nur s GLU 199 Ca 0.50 -1.49 -0.05 0.00 0.02 0.00 0.00 54.97 53.95 1nur s GLU 199 Cb 0.35 -4.63 -0.04 0.00 0.10 0.00 0.00 34.13 29.91 1nur s GLU 199 CO -0.29 -1.74 0.04 0.42 0.02 0.00 0.00 175.26 173.71 1nur s ILE 200 N 2.95 4.59 -0.10 -1.63 1.01 -1.26 -5.10 121.20 121.65 1nur s ILE 200 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 1nur s ILE 200 Cb -0.11 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1nur s ILE 200 CO -0.02 0.52 -0.04 -0.94 0.00 0.00 0.00 174.94 174.46 1nur s SER 201 N -0.09 4.88 0.53 3.58 1.04 -1.26 -4.91 113.70 117.47 1nur s SER 201 Ca 0.05 -0.01 0.20 0.00 0.48 0.00 0.00 55.95 56.68 1nur s SER 201 Cb -0.12 -1.47 1.33 0.00 0.10 0.00 0.00 66.02 65.86 1nur s SER 201 CO 0.01 0.30 2.08 0.00 0.98 0.00 0.00 173.24 176.61 1nur h ALA 202 N 5.72 2.23 -0.69 5.32 0.00 -1.92 -1.28 119.26 128.64 1nur h ALA 202 Ca -0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1nur h ALA 202 Cb 1.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1nur h ALA 202 CO 0.57 -0.30 0.42 1.15 0.00 0.00 0.00 179.25 181.08 1nur h THR 203 N 0.00 1.19 -0.55 0.00 2.02 -1.94 0.16 112.91 113.80 1nur h THR 203 Ca 0.12 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1nur h THR 203 Cb 0.47 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1nur h THR 203 CO -0.00 0.20 -0.03 0.22 0.37 0.00 0.00 175.52 176.27 1nur h TYR 204 N 0.93 1.07 -0.19 3.16 3.20 -1.67 -1.38 116.97 122.10 1nur h TYR 204 Ca 0.25 -0.19 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1nur h TYR 204 Cb -0.04 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 1nur h TYR 204 CO -0.02 0.97 0.01 0.82 -1.64 0.00 0.00 178.16 178.31 1nur h ILE 205 N 0.89 0.88 -0.35 1.81 1.08 -0.76 0.14 117.51 121.21 1nur h ILE 205 Ca 0.16 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.58 1nur h ILE 205 Cb 0.57 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 1nur h ILE 205 CO 0.03 0.01 0.15 0.03 -0.69 0.00 0.00 178.15 177.69 1nur h ARG 206 N 0.08 0.51 -0.36 2.37 3.08 -0.82 -1.33 114.38 117.91 1nur h ARG 206 Ca 0.09 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1nur h ARG 206 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1nur h ARG 206 CO -0.14 0.48 0.17 -0.09 -1.07 0.00 0.00 179.97 179.33 1nur h ARG 207 N 0.42 0.51 -0.44 0.04 2.43 -1.01 -0.15 114.38 116.19 1nur h ARG 207 Ca 0.12 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1nur h ARG 207 Cb 0.15 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1nur h ARG 207 CO -0.01 0.46 0.22 0.00 -1.51 0.00 0.00 179.97 179.13 1nur h ALA 208 N 1.03 0.55 -0.77 2.80 0.00 -0.60 -1.55 119.26 120.71 1nur h ALA 208 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nur h ALA 208 Cb 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1nur h ALA 208 CO -0.02 -0.13 0.47 -0.07 0.00 0.00 0.00 179.25 179.51 1nur h LEU 209 N 0.45 0.92 -1.43 0.00 3.38 -0.94 -0.48 115.31 117.22 1nur h LEU 209 Ca 0.19 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1nur h LEU 209 Cb 0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1nur h LEU 209 CO -0.12 0.71 0.45 1.23 0.09 0.00 0.00 178.44 180.80 1nur h GLY 210 N 1.06 0.89 -0.99 0.83 0.00 -0.33 -0.61 103.07 103.92 1nur h GLY 210 Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nur h GLY 210 CO -0.05 0.20 0.00 -1.06 0.00 0.00 0.00 176.54 175.63 1nur n GLN 211 N -4.48 1.69 -1.18 4.80 6.02 -0.58 -4.90 117.38 118.75 1nur n GLN 211 Ca 0.10 -1.06 -0.06 0.00 -0.01 0.00 0.00 57.00 55.97 1nur n GLN 211 Cb 0.24 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.20 1nur n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nur n GLY 212 N 1.01 0.85 3.92 1.08 0.00 -0.24 -5.03 105.19 106.80 1nur n GLY 212 Ca 0.12 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 1nur n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nur s GLN 213 N -2.33 3.52 0.33 1.61 -0.21 -0.29 -5.01 119.66 117.29 1nur s GLN 213 Ca 0.00 -0.09 -0.27 0.00 0.02 0.00 0.00 55.36 55.02 1nur s GLN 213 Cb 0.00 -2.55 -0.09 0.00 1.00 0.00 0.00 33.01 31.37 1nur s GLN 213 CO 0.00 0.02 1.08 0.45 -2.12 0.00 0.00 175.29 174.72 1nur s SER 214 N -3.97 7.06 -0.04 5.90 0.15 -1.26 -4.21 113.70 117.32 1nur s SER 214 Ca 0.43 2.18 0.06 0.00 0.70 0.00 0.00 55.95 59.32 1nur s SER 214 Cb -0.10 -2.61 0.09 0.00 -1.71 0.00 0.00 66.02 61.69 1nur s SER 214 CO 0.39 -0.29 0.94 1.33 1.20 0.00 0.00 173.24 176.81 1nur n VAL 215 N 0.69 0.80 -1.77 4.45 0.24 -1.26 -4.96 118.33 116.53 1nur n VAL 215 Ca 0.01 -0.92 -0.41 0.00 -2.04 0.00 0.00 64.34 60.99 1nur n VAL 215 Cb 0.47 0.38 -0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1nur n VAL 215 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1nur n LYS 216 N -0.55 2.64 -0.93 7.34 4.81 -1.26 -1.45 118.16 128.76 1nur n LYS 216 Ca 0.05 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1nur n LYS 216 Cb 0.53 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.93 1nur n LYS 216 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nur n TYR 217 N 0.45 0.00 -0.06 5.64 4.02 -1.26 -4.78 117.16 121.17 1nur n TYR 217 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.84 1nur n TYR 217 Cb 0.39 -0.43 -0.09 0.00 -0.02 0.00 0.00 39.34 39.19 1nur n TYR 217 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1nur n LEU 218 N 0.00 0.61 -4.17 7.72 4.77 -0.53 -5.00 117.00 120.41 1nur n LEU 218 Ca 0.00 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 1nur n LEU 218 Cb 0.05 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1nur n LEU 218 CO 0.00 0.38 -0.39 0.27 -1.33 0.00 0.00 177.39 176.32 1nur s ILE 219 N -2.28 0.69 0.53 -0.08 -4.36 -1.13 -1.29 121.20 113.27 1nur s ILE 219 Ca -0.09 -1.90 -0.22 0.00 -0.26 0.00 0.00 60.65 58.19 1nur s ILE 219 Cb 0.04 -1.64 -0.06 0.00 1.25 0.00 0.00 42.46 42.05 1nur s ILE 219 CO 0.45 -0.85 1.20 -2.65 0.24 0.00 0.00 174.94 173.33 1nur n PRO 220 N 0.02 1.48 -0.36 0.37 -0.02 -1.26 -4.79 135.00 130.45 1nur n PRO 220 Ca -0.13 0.55 0.05 0.00 -2.02 0.00 0.00 63.50 61.95 1nur n PRO 220 Cb 0.61 -2.38 0.21 0.00 -0.02 0.00 0.00 33.50 31.92 1nur n PRO 220 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nur h ASP 221 N 1.30 0.98 0.40 2.55 3.32 -1.98 -1.57 116.42 121.43 1nur h ASP 221 Ca -0.49 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1nur h ASP 221 Cb 1.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1nur h ASP 221 CO 0.56 0.59 -0.35 0.00 -1.72 0.00 0.00 179.24 178.32 1nur h ALA 222 N 1.49 1.36 -0.06 3.45 0.00 -1.91 -1.23 119.26 122.36 1nur h ALA 222 Ca 0.45 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 1nur h ALA 222 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nur h ALA 222 CO -0.20 0.44 -0.84 0.28 0.00 0.00 0.00 179.25 178.92 1nur h VAL 223 N 0.00 1.35 -0.45 0.00 2.07 -1.63 -1.42 116.25 116.16 1nur h VAL 223 Ca -0.00 -2.20 -0.03 0.00 0.82 0.00 0.00 66.70 65.28 1nur h VAL 223 Cb 0.65 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1nur h VAL 223 CO 0.05 0.67 0.15 0.40 0.02 0.00 0.00 177.57 178.86 1nur h ILE 224 N 0.34 1.22 -0.54 4.57 2.04 -0.96 -0.42 117.51 123.77 1nur h ILE 224 Ca -0.06 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1nur h ILE 224 Cb 1.46 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1nur h ILE 224 CO 0.15 0.26 0.24 0.74 0.00 0.00 0.00 178.15 179.55 1nur h THR 225 N 0.60 1.21 -0.18 -0.27 2.02 -1.21 -1.58 112.91 113.50 1nur h THR 225 Ca 0.15 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1nur h THR 225 Cb 0.25 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1nur h THR 225 CO -0.01 0.24 0.12 0.22 0.37 0.00 0.00 175.52 176.46 1nur h TYR 226 N 0.72 0.22 -0.45 3.16 3.20 -0.96 -0.18 116.97 122.68 1nur h TYR 226 Ca 0.18 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.13 1nur h TYR 226 Cb 0.15 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.28 1nur h TYR 226 CO -0.00 0.14 0.11 0.82 -1.64 0.00 0.00 178.16 177.60 1nur h ILE 227 N 0.24 0.79 0.20 1.81 2.04 -0.83 -1.08 117.51 120.67 1nur h ILE 227 Ca 0.07 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1nur h ILE 227 Cb -0.03 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1nur h ILE 227 CO -0.01 0.05 -0.09 0.50 0.00 0.00 0.00 178.15 178.59 1nur h LYS 228 N 0.26 -0.25 -0.75 2.37 3.64 -1.02 -1.15 116.57 119.66 1nur h LYS 228 Ca 0.22 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.78 1nur h LYS 228 Cb 0.26 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1nur h LYS 228 CO -0.27 -0.07 0.51 -0.44 -2.27 0.00 0.00 179.45 176.91 1nur h ASP 229 N -0.39 0.32 -0.47 4.20 3.32 -0.62 -1.93 116.42 120.85 1nur h ASP 229 Ca -0.03 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1nur h ASP 229 Cb 0.30 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1nur h ASP 229 CO 0.04 0.16 0.00 1.41 -1.72 0.00 0.00 179.24 179.14 1nur n HIS 230 N -4.46 1.23 -4.02 4.55 8.25 -0.44 -4.97 115.22 115.35 1nur n HIS 230 Ca 0.15 -0.68 -0.31 0.00 -0.26 0.00 0.00 57.72 56.61 1nur n HIS 230 Cb 0.58 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1nur n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nur n GLY 231 N 0.48 -0.43 3.89 -1.41 0.00 -0.65 -4.96 105.19 102.12 1nur n GLY 231 Ca 0.22 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 1nur n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nur s LEU 232 N -7.20 3.62 -1.57 0.99 1.43 -0.53 -4.37 118.68 111.06 1nur s LEU 232 Ca 0.56 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.65 1nur s LEU 232 Cb -0.29 -4.04 0.08 0.00 0.03 0.00 0.00 46.19 41.97 1nur s LEU 232 CO 0.87 -0.57 0.57 -1.22 0.23 0.00 0.00 176.35 176.23 1nur n TYR 233 N -2.03 -1.66 0.88 0.29 4.02 -1.26 -4.85 117.16 112.54 1nur n TYR 233 Ca 0.02 0.76 0.11 0.00 -0.01 0.00 0.00 57.90 58.78 1nur n TYR 233 Cb 0.55 -3.24 0.09 0.00 -0.02 0.00 0.00 39.34 36.71 1nur n TYR 233 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10