#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nuq s ARG 4 N 0.00 4.37 -0.15 4.33 0.52 -1.26 -5.01 118.95 121.74 1nuq s ARG 4 Ca 0.00 1.26 -0.27 0.00 -0.52 0.00 0.00 55.73 56.20 1nuq s ARG 4 Cb 0.00 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.97 1nuq s ARG 4 CO 0.00 0.08 0.93 0.42 0.02 0.00 0.00 175.30 176.75 1nuq s ILE 5 N -1.86 4.81 0.23 1.52 1.01 -0.56 -4.74 121.20 121.61 1nuq s ILE 5 Ca 0.56 1.85 -0.30 0.00 0.00 0.00 0.00 60.65 62.77 1nuq s ILE 5 Cb -0.15 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 37.99 1nuq s ILE 5 CO 0.20 -0.02 1.36 -2.84 0.00 0.00 0.00 174.94 173.64 1nuq s PRO 6 N 2.27 4.34 0.01 2.79 0.02 -1.26 -1.03 135.00 142.13 1nuq s PRO 6 Ca 0.43 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.65 1nuq s PRO 6 Cb -0.17 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.19 1nuq s PRO 6 CO 0.13 -0.31 -0.11 0.08 -0.33 0.00 0.00 177.00 176.46 1nuq s VAL 7 N -0.03 0.87 -0.09 3.83 1.01 -0.62 0.62 120.40 125.98 1nuq s VAL 7 Ca 0.57 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1nuq s VAL 7 Cb -0.39 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1nuq s VAL 7 CO 0.41 0.13 -0.23 -0.69 0.00 0.00 0.00 175.10 174.72 1nuq s VAL 8 N -0.48 1.98 -0.20 2.92 1.01 0.16 -0.00 120.40 125.78 1nuq s VAL 8 Ca 0.02 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 1nuq s VAL 8 Cb -0.05 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1nuq s VAL 8 CO 0.00 0.54 0.09 -0.76 0.00 0.00 0.00 175.10 174.97 1nuq s LEU 9 N 0.34 3.88 -0.20 3.92 1.43 -0.14 -1.64 118.68 126.27 1nuq s LEU 9 Ca -0.18 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1nuq s LEU 9 Cb -0.18 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1nuq s LEU 9 CO 0.08 0.14 -0.08 -0.22 0.23 0.00 0.00 176.35 176.50 1nuq s LEU 10 N 0.58 2.72 -0.24 1.79 2.96 -0.34 -0.03 118.68 126.11 1nuq s LEU 10 Ca 0.05 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1nuq s LEU 10 Cb -0.13 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 1nuq s LEU 10 CO 0.01 0.00 -0.00 0.00 -1.32 0.00 0.00 176.35 175.04 1nuq s ALA 11 N 1.33 2.90 -0.13 5.97 0.00 0.20 0.07 121.76 132.09 1nuq s ALA 11 Ca 0.04 -1.26 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1nuq s ALA 11 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1nuq s ALA 11 CO -0.04 -0.59 0.09 0.00 0.00 0.00 0.00 175.76 175.22 1nuq n GLY 13 N 2.46 -1.33 0.14 0.00 0.00 -1.16 -4.99 105.19 100.31 1nuq n GLY 13 Ca -0.19 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 1nuq n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nuq h SER 14 N 0.00 0.51 -6.30 1.61 0.02 -1.93 0.20 113.55 107.66 1nuq h SER 14 Ca 0.00 -0.79 -0.40 0.00 -0.84 0.00 0.00 61.79 59.76 1nuq h SER 14 Cb 0.00 -0.16 0.05 0.00 0.14 0.00 0.00 62.40 62.43 1nuq h SER 14 CO 0.00 1.23 -0.85 0.49 -1.14 0.00 0.00 176.83 176.56 1nuq n PHE 15 N -4.22 -2.02 -3.27 3.45 3.72 -1.26 -4.42 117.46 109.44 1nuq n PHE 15 Ca -0.11 0.58 -0.26 0.00 -0.05 0.00 0.00 57.45 57.61 1nuq n PHE 15 Cb 0.69 -3.31 -0.07 0.00 -0.94 0.00 0.00 39.48 35.85 1nuq n PHE 15 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1nuq n ASN 16 N -2.48 3.23 -4.89 4.37 5.15 -1.26 -3.32 115.26 116.07 1nuq n ASN 16 Ca -0.13 -3.36 -0.21 0.00 -0.60 0.00 0.00 54.58 50.28 1nuq n ASN 16 Cb 0.60 -0.64 0.06 0.00 -0.53 0.00 0.00 39.78 39.27 1nuq n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1nuq s PRO 17 N -2.50 2.27 0.45 1.20 0.04 -1.26 -4.83 135.00 130.36 1nuq s PRO 17 Ca 0.41 -1.07 -0.24 0.00 0.04 0.00 0.00 61.00 60.14 1nuq s PRO 17 Cb 0.19 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 1nuq s PRO 17 CO -0.06 -0.91 1.30 -1.50 0.04 0.00 0.00 177.00 175.87 1nuq s ILE 18 N -2.82 2.52 0.36 0.56 2.07 -1.21 -4.95 121.20 117.74 1nuq s ILE 18 Ca 0.61 0.44 0.04 0.00 -1.41 0.00 0.00 60.65 60.32 1nuq s ILE 18 Cb -0.08 -3.24 -0.05 0.00 0.13 0.00 0.00 42.46 39.22 1nuq s ILE 18 CO 0.40 0.04 0.07 0.42 -1.91 0.00 0.00 174.94 173.95 1nuq s THR 19 N -1.32 1.06 0.44 4.00 -4.23 -1.26 -4.77 115.64 109.56 1nuq s THR 19 Ca 0.62 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.29 1nuq s THR 19 Cb -0.37 -2.64 0.19 0.00 1.34 0.00 0.00 72.50 71.02 1nuq s THR 19 CO 0.47 0.00 2.00 0.78 -0.54 0.00 0.00 174.62 177.32 1nuq h ASN 20 N 1.96 0.00 -0.45 3.99 2.35 -1.55 -2.56 115.58 119.32 1nuq h ASN 20 Ca -0.40 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 1nuq h ASN 20 Cb 1.26 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.61 1nuq h ASN 20 CO 0.67 0.18 0.01 0.24 -1.65 0.00 0.00 177.43 176.89 1nuq h MET 21 N 0.00 0.78 -0.75 0.81 2.86 -1.93 0.17 114.93 116.86 1nuq h MET 21 Ca -0.00 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1nuq h MET 21 Cb 0.33 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1nuq h MET 21 CO 0.02 0.83 0.33 0.45 1.06 0.00 0.00 176.91 179.61 1nuq h HIS 22 N 0.62 1.11 -0.20 -0.22 3.86 -1.87 -2.18 115.15 116.27 1nuq h HIS 22 Ca 0.13 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1nuq h HIS 22 Cb 0.47 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1nuq h HIS 22 CO 0.04 0.83 0.03 -0.07 0.86 0.00 0.00 177.93 179.62 1nuq h LEU 23 N 1.07 0.33 -1.60 2.43 3.38 -1.24 -2.88 115.31 116.80 1nuq h LEU 23 Ca 0.25 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1nuq h LEU 23 Cb 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1nuq h LEU 23 CO -0.03 0.51 0.38 -0.09 0.09 0.00 0.00 178.44 179.31 1nuq h ARG 24 N 0.13 0.46 -0.59 1.13 9.65 -0.48 -1.68 114.38 123.01 1nuq h ARG 24 Ca 0.06 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.02 1nuq h ARG 24 Cb 0.33 -0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 28.72 1nuq h ARG 24 CO 0.00 0.31 0.15 1.98 2.80 0.00 0.00 179.97 185.21 1nuq h MET 25 N 0.48 0.28 -0.29 0.20 4.05 -1.17 -0.67 114.93 117.81 1nuq h MET 25 Ca 0.26 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 1nuq h MET 25 Cb 0.39 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1nuq h MET 25 CO -0.07 0.18 0.13 0.74 0.23 0.00 0.00 176.91 178.12 1nuq h PHE 26 N 0.29 0.44 -0.59 1.39 -1.00 -1.35 -1.08 116.94 115.03 1nuq h PHE 26 Ca 0.31 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 61.09 1nuq h PHE 26 Cb 0.44 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.82 1nuq h PHE 26 CO -0.23 0.42 0.34 0.93 -1.61 0.00 0.00 178.31 178.17 1nuq h GLU 27 N 0.33 0.65 -0.33 1.51 4.39 -1.24 0.73 114.58 120.62 1nuq h GLU 27 Ca 0.10 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 1nuq h GLU 27 Cb 0.16 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1nuq h GLU 27 CO -0.01 0.43 -0.10 0.28 -1.16 0.00 0.00 179.01 178.45 1nuq h VAL 28 N 0.67 1.28 -0.12 3.13 2.07 -1.05 -1.63 116.25 120.60 1nuq h VAL 28 Ca 0.25 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1nuq h VAL 28 Cb 0.07 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1nuq h VAL 28 CO -0.13 0.38 0.04 0.00 0.02 0.00 0.00 177.57 177.89 1nuq h ALA 29 N 0.80 0.13 -0.14 1.67 0.00 -0.85 -0.60 119.26 120.26 1nuq h ALA 29 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nuq h ALA 29 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1nuq h ALA 29 CO 0.04 -0.41 0.04 -0.09 0.00 0.00 0.00 179.25 178.82 1nuq h ARG 30 N 0.10 0.10 -0.90 0.00 2.43 -0.76 -1.18 114.38 114.17 1nuq h ARG 30 Ca 0.05 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1nuq h ARG 30 Cb 0.03 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1nuq h ARG 30 CO -0.05 0.06 0.59 -0.44 -1.51 0.00 0.00 179.97 178.62 1nuq h ASP 31 N 0.10 0.94 -0.04 -3.80 3.32 -1.14 -0.90 116.42 114.89 1nuq h ASP 31 Ca 0.06 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1nuq h ASP 31 Cb 0.05 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1nuq h ASP 31 CO -0.07 0.63 0.01 -0.74 -1.72 0.00 0.00 179.24 177.35 1nuq h HIS 32 N 1.08 0.07 -0.92 4.55 2.76 -0.43 -0.65 115.15 121.61 1nuq h HIS 32 Ca 0.37 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1nuq h HIS 32 Cb 0.10 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 1nuq h HIS 32 CO -0.00 0.25 0.54 -0.07 -1.30 0.00 0.00 177.93 177.35 1nuq h LEU 33 N -0.13 1.11 -1.10 0.26 3.38 -0.89 -1.81 115.31 116.13 1nuq h LEU 33 Ca 0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1nuq h LEU 33 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1nuq h LEU 33 CO -0.00 0.86 -0.23 0.45 0.09 0.00 0.00 178.44 179.61 1nuq h HIS 34 N 1.27 0.39 -0.75 1.13 3.86 -1.03 -2.88 115.15 117.14 1nuq h HIS 34 Ca 0.33 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1nuq h HIS 34 Cb -0.04 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 1nuq h HIS 34 CO 0.01 0.57 0.45 0.37 0.86 0.00 0.00 177.93 180.18 1nuq h GLN 35 N 0.32 1.02 -0.17 2.45 5.75 -0.26 -1.72 115.11 122.51 1nuq h GLN 35 Ca 0.05 -0.09 0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1nuq h GLN 35 Cb 0.58 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1nuq h GLN 35 CO 0.04 0.72 0.14 1.79 -2.65 0.00 0.00 178.83 178.88 1nuq h THR 36 N 1.03 0.70 0.00 2.39 1.35 -1.25 -3.45 112.91 113.68 1nuq h THR 36 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 1nuq h THR 36 Cb -0.03 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1nuq h THR 36 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 1nuq n GLY 37 N -1.48 2.24 0.06 5.82 0.00 -0.65 -4.88 105.19 106.30 1nuq n GLY 37 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1nuq n GLY 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nuq n MET 38 N -2.00 0.31 -4.42 1.61 2.81 -1.26 -4.81 117.12 109.36 1nuq n MET 38 Ca 0.00 0.06 -0.21 0.00 -1.81 0.00 0.00 57.70 55.75 1nuq n MET 38 Cb 0.00 -1.67 -0.10 0.00 -0.71 0.00 0.00 33.22 30.74 1nuq n MET 38 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1nuq s TYR 39 N -3.19 1.92 -0.33 2.03 1.51 -1.25 -1.49 117.35 116.54 1nuq s TYR 39 Ca 0.05 -0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1nuq s TYR 39 Cb 0.13 -1.06 0.12 0.00 -0.11 0.00 0.00 41.96 41.04 1nuq s TYR 39 CO 0.75 0.29 0.16 -1.14 -1.11 0.00 0.00 175.55 174.50 1nuq s GLN 40 N -3.71 0.57 -0.02 -0.62 0.74 -0.20 -4.44 119.66 111.98 1nuq s GLN 40 Ca 0.28 -1.10 -0.30 0.00 0.05 0.00 0.00 55.36 54.29 1nuq s GLN 40 Cb 0.03 -1.56 -0.07 0.00 1.10 0.00 0.00 33.01 32.52 1nuq s GLN 40 CO 0.11 -1.09 1.75 0.08 -0.55 0.00 0.00 175.29 175.59 1nuq s VAL 41 N 1.43 3.40 -0.06 1.34 1.01 -1.26 -1.60 120.40 124.66 1nuq s VAL 41 Ca 0.13 0.49 0.17 0.00 0.00 0.00 0.00 61.98 62.77 1nuq s VAL 41 Cb -0.20 -3.31 -0.27 0.00 0.00 0.00 0.00 36.38 32.60 1nuq s VAL 41 CO -0.17 -0.04 0.40 2.30 0.00 0.00 0.00 175.10 177.58 1nuq n ILE 42 N 5.49 0.00 -3.51 2.22 -5.35 0.99 -4.87 119.36 114.33 1nuq n ILE 42 Ca 0.18 -0.38 -0.16 0.00 -0.27 0.00 0.00 62.75 62.12 1nuq n ILE 42 Cb 0.42 0.15 -0.05 0.00 -1.74 0.00 0.00 39.64 38.42 1nuq n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1nuq s GLN 43 N -3.17 1.05 -0.02 6.28 0.74 -1.21 -4.98 119.66 118.35 1nuq s GLN 43 Ca -0.06 0.14 0.06 0.00 0.05 0.00 0.00 55.36 55.55 1nuq s GLN 43 Cb 0.11 0.49 -0.01 0.00 1.10 0.00 0.00 33.01 34.70 1nuq s GLN 43 CO 0.72 -0.35 -0.21 0.20 -0.55 0.00 0.00 175.29 175.09 1nuq s GLY 44 N -1.43 1.06 -0.09 2.59 0.00 0.28 -0.97 107.32 108.77 1nuq s GLY 44 Ca -0.08 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1nuq s GLY 44 CO 0.06 -0.72 -0.08 -0.42 0.00 0.00 0.00 173.10 171.94 1nuq s ILE 45 N -0.43 0.93 -0.26 0.90 1.01 0.95 -0.22 121.20 124.09 1nuq s ILE 45 Ca 0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1nuq s ILE 45 Cb -0.09 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1nuq s ILE 45 CO -0.00 0.34 0.26 -0.63 0.00 0.00 0.00 174.94 174.91 1nuq s ILE 46 N 1.36 5.27 -0.42 2.92 1.09 0.37 -0.63 121.20 131.15 1nuq s ILE 46 Ca -0.02 0.35 0.04 0.00 -1.10 0.00 0.00 60.65 59.91 1nuq s ILE 46 Cb -0.14 -3.60 0.11 0.00 -1.06 0.00 0.00 42.46 37.78 1nuq s ILE 46 CO -0.04 0.24 0.14 -0.55 -0.10 0.00 0.00 174.94 174.63 1nuq s SER 47 N 1.53 4.52 0.31 3.58 0.15 -0.17 -0.89 113.70 122.74 1nuq s SER 47 Ca 0.11 -2.51 -0.29 0.00 0.70 0.00 0.00 55.95 53.95 1nuq s SER 47 Cb -0.15 -1.59 -0.11 0.00 -1.71 0.00 0.00 66.02 62.46 1nuq s SER 47 CO 0.09 -0.32 1.45 -2.84 1.20 0.00 0.00 173.24 172.82 1nuq s PRO 48 N 0.41 4.22 0.67 5.44 0.02 -1.26 -2.97 135.00 141.54 1nuq s PRO 48 Ca 0.14 2.40 -0.15 0.00 0.02 0.00 0.00 61.00 63.41 1nuq s PRO 48 Cb -0.22 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.26 1nuq s PRO 48 CO -0.05 -0.43 1.13 0.54 -0.33 0.00 0.00 177.00 177.86 1nuq s VAL 49 N -0.56 3.01 0.73 3.83 0.11 0.70 -3.34 120.40 124.88 1nuq s VAL 49 Ca 0.56 0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 59.95 1nuq s VAL 49 Cb -0.44 -3.01 0.04 0.00 -1.53 0.00 0.00 36.38 31.44 1nuq s VAL 49 CO 0.52 -0.28 1.15 0.21 -3.33 0.00 0.00 175.10 173.36 1nuq s ASN 50 N -2.43 4.43 0.00 3.54 3.84 -1.26 -4.72 114.94 118.34 1nuq s ASN 50 Ca 0.69 2.14 0.15 0.00 0.21 0.00 0.00 52.86 56.06 1nuq s ASN 50 Cb -0.23 -2.56 0.67 0.00 -0.55 0.00 0.00 41.25 38.58 1nuq s ASN 50 CO 0.42 -2.09 1.49 0.47 -2.79 0.00 0.00 177.10 174.60 1nuq n ASP 51 N -2.86 0.00 -0.34 -4.21 8.00 -1.26 -2.61 116.55 113.26 1nuq n ASP 51 Ca 0.12 0.48 0.13 0.00 0.71 0.00 0.00 54.79 56.22 1nuq n ASP 51 Cb 0.51 -0.49 0.38 0.00 -0.02 0.00 0.00 41.12 41.51 1nuq n ASP 51 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1nuq n THR 52 N -1.49 0.00 -2.50 -3.53 -2.24 -1.26 -4.93 114.28 98.33 1nuq n THR 52 Ca 0.04 -0.18 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 1nuq n THR 52 Cb 0.18 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 1nuq n THR 52 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nuq s TYR 53 N -2.36 3.48 0.20 4.78 5.04 -1.07 -4.87 117.35 122.54 1nuq s TYR 53 Ca 0.28 1.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 1nuq s TYR 53 Cb 0.20 -3.23 0.00 0.00 0.35 0.00 0.00 41.96 39.28 1nuq s TYR 53 CO 0.47 -0.57 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 1nuq n GLY 54 N 0.92 -1.51 0.09 8.97 0.00 -1.26 -4.64 105.19 107.75 1nuq n GLY 54 Ca 0.01 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1nuq n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nuq n LYS 55 N -3.38 0.65 -2.06 1.61 5.02 -1.26 -4.95 118.16 113.80 1nuq n LYS 55 Ca 0.01 0.16 -0.38 0.00 -2.02 0.00 0.00 58.31 56.08 1nuq n LYS 55 Cb 0.40 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1nuq n LYS 55 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1nuq s LYS 56 N -2.60 3.61 -0.46 1.97 2.20 -1.26 -4.98 119.74 118.22 1nuq s LYS 56 Ca -0.07 2.01 -0.19 0.00 -0.36 0.00 0.00 55.97 57.37 1nuq s LYS 56 Cb 0.07 -2.44 0.04 0.00 -1.51 0.00 0.00 37.83 33.99 1nuq s LYS 56 CO 0.83 -0.74 0.56 -0.51 -0.36 0.00 0.00 175.35 175.12 1nuq s ASP 57 N -1.08 6.23 0.53 1.43 1.01 -1.26 -5.00 116.67 118.53 1nuq s ASP 57 Ca 0.64 -0.75 -0.03 0.00 0.71 0.00 0.00 52.55 53.13 1nuq s ASP 57 Cb -0.35 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1nuq s ASP 57 CO 0.42 -0.76 0.80 -0.76 0.21 0.00 0.00 175.17 175.08 1nuq s LEU 58 N 2.46 3.39 0.65 1.23 1.02 -1.26 -5.06 118.68 121.11 1nuq s LEU 58 Ca 0.15 0.45 -0.15 0.00 0.02 0.00 0.00 54.13 54.60 1nuq s LEU 58 Cb -0.18 -3.29 -0.00 0.00 0.02 0.00 0.00 46.19 42.74 1nuq s LEU 58 CO 0.14 -0.95 1.11 0.00 0.02 0.00 0.00 176.35 176.66 1nuq s ALA 59 N -2.80 2.50 0.35 4.21 0.00 -1.26 -4.91 121.76 119.84 1nuq s ALA 59 Ca 0.52 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 1nuq s ALA 59 Cb -0.10 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 1nuq s ALA 59 CO 0.41 -1.23 0.99 0.00 0.00 0.00 0.00 175.76 175.93 1nuq n ALA 60 N -2.37 -0.08 -0.29 0.00 0.00 -1.26 -4.70 120.51 111.81 1nuq n ALA 60 Ca 0.10 0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.99 1nuq n ALA 60 Cb 0.52 -2.04 0.38 0.00 0.00 0.00 0.00 19.45 18.31 1nuq n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nuq h SER 61 N 1.79 0.66 0.29 0.00 4.64 -1.90 -0.02 113.55 119.01 1nuq h SER 61 Ca -0.42 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 60.90 1nuq h SER 61 Cb 1.34 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1nuq h SER 61 CO 0.59 0.30 -0.27 1.12 -0.87 0.00 0.00 176.83 177.70 1nuq h HIS 62 N 0.68 0.00 -0.21 4.77 2.07 -1.95 -0.52 115.15 119.99 1nuq h HIS 62 Ca 0.48 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.88 1nuq h HIS 62 Cb 0.82 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.80 1nuq h HIS 62 CO -0.00 0.27 -0.35 0.45 -3.07 0.00 0.00 177.93 175.23 1nuq h HIS 63 N 0.00 0.76 -0.35 6.12 -0.00 -1.35 -1.72 115.15 118.61 1nuq h HIS 63 Ca -0.00 -0.26 -0.06 0.00 -0.00 0.00 0.00 60.37 60.04 1nuq h HIS 63 Cb 0.49 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 1nuq h HIS 63 CO 0.00 1.01 -0.06 0.00 -0.00 0.00 0.00 177.93 178.88 1nuq h ARG 64 N 0.30 0.57 -0.24 2.45 3.08 -0.90 0.37 114.38 120.01 1nuq h ARG 64 Ca 0.02 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 1nuq h ARG 64 Cb 0.94 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 1nuq h ARG 64 CO 0.08 0.63 -0.15 0.28 -1.07 0.00 0.00 179.97 179.74 1nuq h VAL 65 N 0.53 1.31 -0.54 2.04 2.07 -1.11 -1.92 116.25 118.62 1nuq h VAL 65 Ca 0.11 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.38 1nuq h VAL 65 Cb 0.43 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1nuq h VAL 65 CO 0.02 0.39 0.36 0.00 0.02 0.00 0.00 177.57 178.36 1nuq h ALA 66 N 0.70 0.69 -0.57 1.67 0.00 -0.89 0.15 119.26 121.02 1nuq h ALA 66 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1nuq h ALA 66 Cb 0.67 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1nuq h ALA 66 CO 0.04 0.12 0.03 0.52 0.00 0.00 0.00 179.25 179.96 1nuq h MET 67 N 0.73 0.99 -0.61 0.00 2.07 -0.93 -0.82 114.93 116.36 1nuq h MET 67 Ca 0.20 -0.30 -0.01 0.00 -2.07 0.00 0.00 59.70 57.52 1nuq h MET 67 Cb -0.07 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 29.53 1nuq h MET 67 CO -0.05 0.97 0.32 0.00 1.07 0.00 0.00 176.91 179.23 1nuq h ALA 68 N 0.98 0.78 -0.28 6.32 0.00 -0.90 0.85 119.26 127.00 1nuq h ALA 68 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nuq h ALA 68 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1nuq h ALA 68 CO 0.02 0.31 0.15 -0.09 0.00 0.00 0.00 179.25 179.63 1nuq h ARG 69 N 0.82 0.30 -0.65 0.00 2.43 -0.42 -0.36 114.38 116.49 1nuq h ARG 69 Ca 0.21 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1nuq h ARG 69 Cb 0.06 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1nuq h ARG 69 CO -0.03 0.20 0.43 -0.07 -1.51 0.00 0.00 179.97 178.98 1nuq h LEU 70 N 0.30 0.75 -1.44 3.80 3.38 -0.69 -1.47 115.31 119.94 1nuq h LEU 70 Ca 0.11 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1nuq h LEU 70 Cb 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1nuq h LEU 70 CO -0.07 0.54 0.40 0.00 0.09 0.00 0.00 178.44 179.41 1nuq h ALA 71 N 1.24 1.66 -0.01 1.53 0.00 -0.30 -2.59 119.26 120.79 1nuq h ALA 71 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nuq h ALA 71 Cb -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1nuq h ALA 71 CO -0.05 0.27 -0.18 1.28 0.00 0.00 0.00 179.25 180.58 1nuq n LEU 72 N -4.46 1.18 -0.09 0.00 4.77 -0.19 -4.08 117.00 114.12 1nuq n LEU 72 Ca 0.07 -0.34 0.17 0.00 -0.03 0.00 0.00 56.01 55.89 1nuq n LEU 72 Cb 0.12 -0.08 0.58 0.00 -2.33 0.00 0.00 43.42 41.72 1nuq n LEU 72 CO 0.35 0.21 1.20 1.56 -1.33 0.00 0.00 177.39 179.38 1nuq h GLN 73 N 1.57 0.23 -0.46 3.23 4.20 -0.87 0.21 115.11 123.22 1nuq h GLN 73 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1nuq h GLN 73 Cb 0.51 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1nuq h GLN 73 CO 0.00 0.15 0.00 0.25 -0.67 0.00 0.00 178.83 178.56 1nuq n THR 74 N -4.43 0.66 -4.39 -0.54 -2.24 -1.26 -4.84 114.28 97.24 1nuq n THR 74 Ca 0.12 -0.59 -0.35 0.00 -2.27 0.00 0.00 64.05 60.97 1nuq n THR 74 Cb 0.55 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 1nuq n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nuq s SER 75 N -0.95 5.14 0.00 3.42 0.15 0.73 -5.00 113.70 117.18 1nuq s SER 75 Ca 0.29 0.09 0.23 0.00 0.70 0.00 0.00 55.95 57.26 1nuq s SER 75 Cb 0.16 -1.50 0.49 0.00 -1.71 0.00 0.00 66.02 63.46 1nuq s SER 75 CO 0.18 0.34 1.44 -0.90 1.20 0.00 0.00 173.24 175.51 1nuq n ASP 76 N 2.39 3.56 0.00 5.45 5.68 -1.26 -4.56 116.55 127.81 1nuq n ASP 76 Ca -0.18 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1nuq n ASP 76 Cb 0.53 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1nuq n ASP 76 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nuq n TRP 77 N 1.52 0.00 -4.45 2.11 4.27 -1.26 -5.08 117.44 114.55 1nuq n TRP 77 Ca 0.21 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.48 1nuq n TRP 77 Cb 0.61 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.44 1nuq n TRP 77 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nuq s ILE 78 N 0.00 3.93 0.09 -1.67 1.01 -1.26 -0.55 121.20 122.74 1nuq s ILE 78 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1nuq s ILE 78 Cb 0.00 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1nuq s ILE 78 CO 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 174.94 175.40 1nuq s ARG 79 N -0.11 0.77 0.03 2.79 1.70 0.70 -4.82 118.95 120.01 1nuq s ARG 79 Ca 0.02 -1.17 -0.10 0.00 -0.47 0.00 0.00 55.73 54.01 1nuq s ARG 79 Cb -0.13 -0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 33.91 1nuq s ARG 79 CO 0.02 0.02 0.36 0.54 -1.08 0.00 0.00 175.30 175.16 1nuq s VAL 80 N -2.90 5.14 -0.20 4.99 0.11 -1.26 -0.48 120.40 125.79 1nuq s VAL 80 Ca 0.06 0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 1nuq s VAL 80 Cb 0.00 -3.63 0.05 0.00 -1.53 0.00 0.00 36.38 31.27 1nuq s VAL 80 CO -0.03 0.40 -0.07 -0.62 -3.33 0.00 0.00 175.10 171.46 1nuq s ASP 81 N -1.51 3.37 0.15 3.54 -1.08 -0.07 -4.87 116.67 116.19 1nuq s ASP 81 Ca 0.28 -0.92 0.22 0.00 -0.52 0.00 0.00 52.55 51.62 1nuq s ASP 81 Cb -0.14 -1.10 0.88 0.00 -1.46 0.00 0.00 42.92 41.10 1nuq s ASP 81 CO 0.15 -0.19 1.68 -0.81 0.52 0.00 0.00 175.17 176.52 1nuq n PRO 82 N 4.75 0.13 -0.22 4.34 -0.04 -1.26 -4.35 135.00 138.34 1nuq n PRO 82 Ca -0.13 0.29 -0.06 0.00 -0.04 0.00 0.00 63.50 63.56 1nuq n PRO 82 Cb 0.46 -1.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 1nuq n PRO 82 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1nuq n TRP 83 N -1.95 -0.23 -0.19 0.54 -0.00 -1.26 -0.79 117.44 113.56 1nuq n TRP 83 Ca 0.04 0.67 -0.00 0.00 -0.00 0.00 0.00 57.50 58.20 1nuq n TRP 83 Cb 0.26 -0.52 0.09 0.00 -0.00 0.00 0.00 31.31 31.14 1nuq n TRP 83 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1nuq h GLU 84 N 0.00 0.16 0.00 5.87 4.81 -1.86 -0.04 114.58 123.52 1nuq h GLU 84 Ca 0.09 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1nuq h GLU 84 Cb 0.22 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1nuq h GLU 84 CO -0.50 0.10 -0.04 0.66 -0.73 0.00 0.00 179.01 178.50 1nuq h SER 85 N 0.16 0.00 -0.29 1.04 4.64 -1.21 -2.85 113.55 115.05 1nuq h SER 85 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1nuq h SER 85 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1nuq h SER 85 CO -0.45 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 174.93 1nuq n GLU 86 N -3.15 1.79 -2.89 4.77 1.02 0.02 -4.67 120.64 117.53 1nuq n GLU 86 Ca 0.00 -1.22 -0.31 0.00 -0.02 0.00 0.00 57.16 55.62 1nuq n GLU 86 Cb 0.32 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 1nuq n GLU 86 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1nuq s GLN 87 N -1.62 3.82 0.53 3.49 -1.52 -1.07 -4.96 119.66 118.33 1nuq s GLN 87 Ca 0.27 0.51 0.26 0.00 -1.95 0.00 0.00 55.36 54.45 1nuq s GLN 87 Cb 0.14 -2.39 1.50 0.00 -0.22 0.00 0.00 33.01 32.04 1nuq s GLN 87 CO 0.20 -0.01 2.11 0.00 -0.25 0.00 0.00 175.29 177.34 1nuq h ALA 88 N 1.41 1.41 -2.37 6.09 0.00 -1.90 -3.45 119.26 120.45 1nuq h ALA 88 Ca -0.47 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.13 1nuq h ALA 88 Cb 1.19 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 1nuq h ALA 88 CO 0.64 0.12 -0.65 -1.14 0.00 0.00 0.00 179.25 178.21 1nuq s GLN 89 N -4.38 1.00 0.61 0.00 0.74 -1.26 -4.94 119.66 111.43 1nuq s GLN 89 Ca -0.04 -1.48 -0.19 0.00 0.05 0.00 0.00 55.36 53.71 1nuq s GLN 89 Cb 0.14 0.04 -0.03 0.00 1.10 0.00 0.00 33.01 34.27 1nuq s GLN 89 CO 0.59 -0.21 1.26 -0.46 -0.55 0.00 0.00 175.29 175.92 1nuq s TRP 90 N -3.90 2.24 -0.02 1.67 -0.00 -1.26 -4.92 118.94 112.75 1nuq s TRP 90 Ca 0.24 1.49 0.02 0.00 -0.00 0.00 0.00 56.10 57.86 1nuq s TRP 90 Cb 0.07 -3.61 0.00 0.00 -0.00 0.00 0.00 33.47 29.94 1nuq s TRP 90 CO 0.03 -2.59 -0.09 1.41 -0.00 0.00 0.00 176.95 175.71 1nuq s MET 91 N -3.31 0.93 0.57 5.86 -2.45 -1.26 -5.08 119.30 114.55 1nuq s MET 91 Ca 0.79 -0.29 -0.21 0.00 -1.25 0.00 0.00 55.69 54.73 1nuq s MET 91 Cb -0.34 -0.87 -0.04 0.00 1.25 0.00 0.00 34.83 34.82 1nuq s MET 91 CO 0.37 0.11 1.28 0.39 1.05 0.00 0.00 175.02 178.22 1nuq n GLU 92 N 3.28 1.47 -0.01 4.11 4.71 -1.26 -4.86 120.64 128.09 1nuq n GLU 92 Ca -0.18 0.55 0.06 0.00 -0.01 0.00 0.00 57.16 57.57 1nuq n GLU 92 Cb 0.54 -2.49 0.45 0.00 -1.01 0.00 0.00 31.44 28.93 1nuq n GLU 92 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1nuq h THR 93 N 1.15 1.06 -0.09 2.62 2.02 -2.00 -1.65 112.91 116.02 1nuq h THR 93 Ca -0.50 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 1nuq h THR 93 Cb 1.32 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1nuq h THR 93 CO 0.55 0.09 -0.08 1.62 0.37 0.00 0.00 175.52 178.08 1nuq h VAL 94 N 0.51 1.11 0.00 3.16 3.04 -1.92 -0.00 116.25 122.15 1nuq h VAL 94 Ca 0.17 -0.49 -0.09 0.00 -1.01 0.00 0.00 66.70 65.28 1nuq h VAL 94 Cb 0.06 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 1nuq h VAL 94 CO -0.04 0.15 -0.41 0.11 -1.01 0.00 0.00 177.57 176.37 1nuq h LYS 95 N 0.13 0.00 -0.01 4.17 1.57 -1.65 -1.09 116.57 119.69 1nuq h LYS 95 Ca 0.03 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 1nuq h LYS 95 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1nuq h LYS 95 CO 0.01 0.41 -0.94 0.28 -0.57 0.00 0.00 179.45 178.64 1nuq h VAL 96 N 0.00 1.37 -0.27 0.50 2.07 -1.00 -1.91 116.25 117.01 1nuq h VAL 96 Ca -0.00 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 65.14 1nuq h VAL 96 Cb 1.01 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1nuq h VAL 96 CO 0.05 0.71 0.09 -0.07 0.02 0.00 0.00 177.57 178.38 1nuq h LEU 97 N 0.29 0.39 -0.37 2.57 3.38 -0.87 -1.88 115.31 118.82 1nuq h LEU 97 Ca -0.09 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.75 1nuq h LEU 97 Cb 1.58 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.17 1nuq h LEU 97 CO 0.17 0.47 0.05 0.03 0.09 0.00 0.00 178.44 179.25 1nuq h ARG 98 N 0.28 0.16 0.13 1.13 3.08 -1.18 0.18 114.38 118.16 1nuq h ARG 98 Ca 0.09 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1nuq h ARG 98 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1nuq h ARG 98 CO -0.00 0.10 -0.14 1.25 -1.07 0.00 0.00 179.97 180.11 1nuq h HIS 99 N 0.16 -0.36 0.00 3.04 2.76 -1.20 -0.71 115.15 118.84 1nuq h HIS 99 Ca 0.18 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1nuq h HIS 99 Cb 0.22 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1nuq h HIS 99 CO -0.21 -0.21 -0.23 0.45 -1.30 0.00 0.00 177.93 176.42 1nuq h HIS 100 N -0.30 0.00 -0.14 5.26 3.86 -1.10 -1.74 115.15 120.99 1nuq h HIS 100 Ca 0.01 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1nuq h HIS 100 Cb 0.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1nuq h HIS 100 CO -0.13 0.23 -0.11 1.25 0.86 0.00 0.00 177.93 180.02 1nuq h HIS 101 N 0.00 0.39 -0.58 2.45 6.17 -0.14 -2.81 115.15 120.63 1nuq h HIS 101 Ca -0.00 -0.11 0.06 0.00 0.71 0.00 0.00 60.37 61.03 1nuq h HIS 101 Cb 0.51 -0.09 -0.06 0.00 2.52 0.00 0.00 27.41 30.30 1nuq h HIS 101 CO 0.00 0.70 0.28 0.77 0.71 0.00 0.00 177.93 180.39 1nuq h SER 102 N -0.03 0.38 -0.35 3.26 0.02 -0.71 -1.00 113.55 115.12 1nuq h SER 102 Ca 0.03 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1nuq h SER 102 Cb 0.62 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1nuq h SER 102 CO 0.03 0.25 0.24 0.11 -1.14 0.00 0.00 176.83 176.31 1nuq h LYS 103 N 0.52 0.30 0.00 3.45 1.79 -1.28 -0.71 116.57 120.65 1nuq h LYS 103 Ca 0.27 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.65 1nuq h LYS 103 Cb 0.22 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1nuq h LYS 103 CO -0.21 0.20 -0.32 -0.07 -1.08 0.00 0.00 179.45 177.97 1nuq h LEU 104 N 0.31 0.00 0.00 2.94 3.38 -0.92 -1.15 115.31 119.87 1nuq h LEU 104 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nuq h LEU 104 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1nuq h LEU 104 CO -0.03 0.32 -0.53 0.18 0.09 0.00 0.00 178.44 178.47 1nuq n LEU 105 N -3.96 0.65 0.00 1.67 4.77 -0.38 -4.91 117.00 114.84 1nuq n LEU 105 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1nuq n LEU 105 Cb 0.38 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1nuq n LEU 105 CO 0.37 -0.03 0.00 0.54 -1.33 0.00 0.00 177.39 176.93 1nuq n ARG 106 N -2.00 0.00 -3.39 3.23 3.00 -0.44 -5.11 116.66 111.94 1nuq n ARG 106 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.82 1nuq n ARG 106 Cb 0.42 -1.15 -0.07 0.00 0.00 0.00 0.00 32.46 31.66 1nuq n ARG 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1nuq s VAL 127 N 0.00 -0.73 0.77 1.55 -7.23 -1.26 -4.82 120.40 108.69 1nuq s VAL 127 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.07 1nuq s VAL 127 Cb 0.00 -0.83 0.06 0.00 0.56 0.00 0.00 36.38 36.16 1nuq s VAL 127 CO 0.00 -0.05 1.09 -2.84 -0.31 0.00 0.00 175.10 172.99 1nuq s PRO 128 N 2.65 2.26 -0.10 4.82 0.02 -1.26 -4.85 135.00 138.53 1nuq s PRO 128 Ca 0.10 1.14 -0.17 0.00 0.02 0.00 0.00 61.00 62.09 1nuq s PRO 128 Cb -0.14 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1nuq s PRO 128 CO -0.16 -1.64 0.45 -1.21 -0.33 0.00 0.00 177.00 174.11 1nuq s GLU 129 N -4.92 4.28 -0.24 5.54 2.02 0.20 -4.92 118.70 120.67 1nuq s GLU 129 Ca 0.61 0.42 -0.12 0.00 0.02 0.00 0.00 54.97 55.90 1nuq s GLU 129 Cb -0.17 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 1nuq s GLU 129 CO 0.56 0.25 0.23 -1.17 0.02 0.00 0.00 175.26 175.15 1nuq s LEU 130 N 0.35 4.10 -0.01 1.80 2.96 -1.26 -0.66 118.68 125.96 1nuq s LEU 130 Ca 0.25 0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.41 1nuq s LEU 130 Cb -0.15 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1nuq s LEU 130 CO 0.10 -0.01 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.38 1nuq s LYS 131 N 1.32 1.65 0.03 1.98 1.02 -0.65 -4.02 119.74 121.07 1nuq s LYS 131 Ca 0.10 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 1nuq s LYS 131 Cb -0.14 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 1nuq s LYS 131 CO 0.07 0.44 1.01 -1.17 -0.92 0.00 0.00 175.35 174.78 1nuq s LEU 132 N -0.61 4.40 -0.17 3.17 2.96 -0.32 -1.20 118.68 126.90 1nuq s LEU 132 Ca 0.08 1.75 -0.05 0.00 -0.22 0.00 0.00 54.13 55.68 1nuq s LEU 132 Cb -0.08 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1nuq s LEU 132 CO -0.00 -0.25 0.01 -0.22 -1.32 0.00 0.00 176.35 174.56 1nuq s LEU 133 N 0.79 3.48 0.23 -0.68 2.96 0.11 -1.01 118.68 124.56 1nuq s LEU 133 Ca 0.52 -0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 54.18 1nuq s LEU 133 Cb -0.23 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.63 1nuq s LEU 133 CO 0.29 0.15 0.62 0.00 -1.32 0.00 0.00 176.35 176.09 1nuq s GLY 135 N -2.88 1.61 0.53 0.00 0.00 -1.26 -1.09 107.32 104.22 1nuq s GLY 135 Ca 0.10 -0.59 0.17 0.00 0.00 0.00 0.00 44.72 44.40 1nuq s GLY 135 CO 0.01 -0.29 2.16 0.00 0.00 0.00 0.00 173.10 174.98 1nuq h ALA 136 N -0.30 1.96 -0.02 3.20 0.00 -1.36 -1.18 119.26 121.57 1nuq h ALA 136 Ca -0.45 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1nuq h ALA 136 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nuq h ALA 136 CO 0.62 -0.01 0.02 0.38 0.00 0.00 0.00 179.25 180.26 1nuq h ASP 137 N 0.00 0.00 -0.20 0.00 2.03 -1.93 -2.02 116.42 114.30 1nuq h ASP 137 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1nuq h ASP 137 Cb 0.01 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.50 1nuq h ASP 137 CO -0.00 0.00 -0.07 0.58 -1.03 0.00 0.00 179.24 178.72 1nuq h VAL 138 N 0.00 1.29 -0.90 4.15 2.07 -1.58 -2.45 116.25 118.83 1nuq h VAL 138 Ca 0.01 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.53 1nuq h VAL 138 Cb 0.05 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1nuq h VAL 138 CO -0.00 0.33 0.58 -0.07 0.02 0.00 0.00 177.57 178.43 1nuq h LEU 139 N 0.12 0.84 -1.38 2.57 3.38 -1.47 0.88 115.31 120.25 1nuq h LEU 139 Ca 0.05 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1nuq h LEU 139 Cb 0.53 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1nuq h LEU 139 CO 0.02 0.51 -0.26 0.50 0.09 0.00 0.00 178.44 179.30 1nuq h LYS 140 N 0.94 0.07 0.00 1.13 3.64 -1.21 -2.18 116.57 118.97 1nuq h LYS 140 Ca 0.41 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1nuq h LYS 140 Cb 0.34 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1nuq h LYS 140 CO -0.17 0.34 0.00 1.79 -2.27 0.00 0.00 179.45 179.14 1nuq h THR 141 N 0.07 0.00 -0.00 1.00 1.35 -0.37 -2.28 112.91 112.67 1nuq h THR 141 Ca 0.01 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1nuq h THR 141 Cb 0.51 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1nuq h THR 141 CO 0.04 0.00 0.01 -0.26 -0.25 0.00 0.00 175.52 175.05 1nuq h PHE 142 N 0.00 0.00 0.00 4.73 0.04 -1.16 0.13 116.94 120.68 1nuq h PHE 142 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nuq h PHE 142 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1nuq h PHE 142 CO 0.00 0.00 -0.28 1.04 -0.60 0.00 0.00 178.31 178.47 1nuq n GLN 143 N -3.69 0.02 -2.18 1.51 6.02 -0.86 -4.73 117.38 113.47 1nuq n GLN 143 Ca -0.03 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 1nuq n GLN 143 Cb 0.09 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 1nuq n GLN 143 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1nuq s THR 144 N -3.01 3.32 0.04 5.09 2.01 0.03 -4.92 115.64 118.20 1nuq s THR 144 Ca 0.12 0.96 -0.36 0.00 0.31 0.00 0.00 61.69 62.73 1nuq s THR 144 Cb 0.18 -3.62 -0.15 0.00 0.01 0.00 0.00 72.50 68.93 1nuq s THR 144 CO 0.63 0.08 1.57 -2.65 -0.69 0.00 0.00 174.62 173.56 1nuq n PRO 145 N 3.77 1.71 -1.29 4.92 -0.02 -1.26 -1.64 135.00 141.20 1nuq n PRO 145 Ca 0.11 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1nuq n PRO 145 Cb 0.42 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1nuq n PRO 145 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nuq n ASN 146 N 3.90 -5.59 -0.05 2.55 3.02 -1.26 -4.87 115.26 112.96 1nuq n ASN 146 Ca 0.19 0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.97 1nuq n ASN 146 Cb 0.24 -3.97 -0.01 0.00 -0.61 0.00 0.00 39.78 35.43 1nuq n ASN 146 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1nuq h LEU 147 N 0.00 0.00 -9.20 3.41 5.85 -1.64 -3.47 115.31 110.26 1nuq h LEU 147 Ca -0.21 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 57.84 1nuq h LEU 147 Cb 1.12 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.98 1nuq h LEU 147 CO 0.30 0.54 -0.68 0.26 -0.34 0.00 0.00 178.44 178.52 1nuq s TRP 148 N -1.81 2.96 0.24 1.25 0.52 -1.26 -5.09 118.94 115.75 1nuq s TRP 148 Ca -0.07 0.03 -0.30 0.00 0.02 0.00 0.00 56.10 55.77 1nuq s TRP 148 Cb 0.01 -1.67 -0.09 0.00 -1.15 0.00 0.00 33.47 30.57 1nuq s TRP 148 CO 0.11 0.38 1.08 0.15 0.02 0.00 0.00 176.95 178.69 1nuq s LYS 149 N -1.18 4.65 0.27 4.98 1.02 -1.26 -4.93 119.74 123.29 1nuq s LYS 149 Ca 0.15 1.73 -0.03 0.00 0.02 0.00 0.00 55.97 57.85 1nuq s LYS 149 Cb -0.11 -3.23 0.35 0.00 -0.52 0.00 0.00 37.83 34.32 1nuq s LYS 149 CO 0.05 0.20 1.85 -0.44 -0.92 0.00 0.00 175.35 176.09 1nuq h ASP 150 N 4.34 0.90 -0.61 2.83 3.32 -1.98 -1.31 116.42 123.91 1nuq h ASP 150 Ca -0.46 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.51 1nuq h ASP 150 Cb 1.21 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 1nuq h ASP 150 CO 0.69 0.80 0.41 0.00 -1.72 0.00 0.00 179.24 179.42 1nuq h ALA 151 N 1.33 1.70 -0.16 3.45 0.00 -1.99 -0.42 119.26 123.17 1nuq h ALA 151 Ca 0.23 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1nuq h ALA 151 Cb 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nuq h ALA 151 CO -0.02 0.23 -0.52 0.45 0.00 0.00 0.00 179.25 179.38 1nuq h HIS 152 N 0.70 0.83 -0.66 0.00 3.86 -1.67 -1.37 115.15 116.83 1nuq h HIS 152 Ca 0.25 -0.34 0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1nuq h HIS 152 Cb 0.13 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1nuq h HIS 152 CO -0.00 1.12 0.42 0.82 0.86 0.00 0.00 177.93 181.15 1nuq h ILE 153 N 0.29 1.11 -0.44 2.45 2.04 -0.79 0.12 117.51 122.28 1nuq h ILE 153 Ca -0.02 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1nuq h ILE 153 Cb 1.15 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1nuq h ILE 153 CO 0.11 0.15 0.25 -0.61 0.00 0.00 0.00 178.15 178.05 1nuq h GLN 154 N 0.83 0.61 -0.68 2.37 4.15 -1.01 -2.42 115.11 118.96 1nuq h GLN 154 Ca 0.26 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 1nuq h GLN 154 Cb -0.01 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1nuq h GLN 154 CO -0.09 0.47 0.25 1.49 -1.93 0.00 0.00 178.83 179.01 1nuq h GLU 155 N 0.58 1.03 -0.41 1.69 4.81 -0.74 0.21 114.58 121.76 1nuq h GLU 155 Ca 0.16 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1nuq h GLU 155 Cb 0.03 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1nuq h GLU 155 CO -0.03 0.87 0.19 0.82 -0.73 0.00 0.00 179.01 180.13 1nuq h ILE 156 N 0.98 0.94 0.00 2.32 2.04 -0.72 0.25 117.51 123.32 1nuq h ILE 156 Ca 0.22 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.85 1nuq h ILE 156 Cb 0.24 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1nuq h ILE 156 CO -0.01 0.07 -0.91 -0.37 0.00 0.00 0.00 178.15 176.93 1nuq h VAL 157 N 0.38 0.49 0.05 1.67 -1.51 -1.31 0.61 116.25 116.63 1nuq h VAL 157 Ca 0.18 -1.81 -0.25 0.00 -1.23 0.00 0.00 66.70 63.59 1nuq h VAL 157 Cb 0.11 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 1nuq h VAL 157 CO -0.14 0.28 -1.33 -0.08 -1.23 0.00 0.00 177.57 175.07 1nuq h GLU 158 N 0.00 0.11 0.21 5.19 4.81 -0.43 -3.38 114.58 121.08 1nuq h GLU 158 Ca -0.07 -0.19 -0.33 0.00 -0.13 0.00 0.00 59.36 58.65 1nuq h GLU 158 Cb 1.36 0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.83 1nuq h GLU 158 CO 0.04 1.09 -1.55 -0.22 -0.73 0.00 0.00 179.01 177.64 1nuq h LYS 159 N -0.64 0.44 0.00 1.92 3.64 -0.67 -3.45 116.57 117.80 1nuq h LYS 159 Ca -0.32 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.31 1nuq h LYS 159 Cb 1.52 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1nuq h LYS 159 CO -0.07 1.36 0.00 1.19 -2.27 0.00 0.00 179.45 179.65 1nuq n PHE 160 N -3.71 0.00 0.00 1.91 3.72 -0.90 -4.97 117.46 113.51 1nuq n PHE 160 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1nuq n PHE 160 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1nuq n PHE 160 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nuq n GLY 161 N 2.24 4.22 2.80 1.37 0.00 0.21 -4.58 105.19 111.45 1nuq n GLY 161 Ca 0.00 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.31 1nuq n GLY 161 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nuq s LEU 162 N 0.00 1.03 -0.19 0.99 2.96 0.13 -1.17 118.68 122.43 1nuq s LEU 162 Ca 0.00 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1nuq s LEU 162 Cb 0.00 0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.72 1nuq s LEU 162 CO 0.00 -0.13 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.04 1nuq s VAL 163 N 1.07 2.23 -0.13 1.68 1.01 -0.18 -0.36 120.40 125.72 1nuq s VAL 163 Ca -0.09 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1nuq s VAL 163 Cb -0.12 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1nuq s VAL 163 CO -0.03 0.49 -0.13 0.00 0.00 0.00 0.00 175.10 175.43 1nuq s VAL 165 N 0.31 5.11 0.84 0.00 1.01 -0.25 -0.52 120.40 126.90 1nuq s VAL 165 Ca -0.10 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1nuq s VAL 165 Cb -0.16 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1nuq s VAL 165 CO 0.05 0.51 0.87 0.61 0.00 0.00 0.00 175.10 177.14 1nuq n GLY 166 N 2.98 -0.86 3.33 4.51 0.00 -0.57 -1.05 105.19 113.53 1nuq n GLY 166 Ca -0.17 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 1nuq n GLY 166 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nuq s ARG 167 N -3.81 0.50 0.20 1.61 0.52 -1.26 -4.65 118.95 112.06 1nuq s ARG 167 Ca 0.67 0.65 -0.32 0.00 -0.52 0.00 0.00 55.73 56.21 1nuq s ARG 167 Cb -0.27 0.21 -0.14 0.00 0.52 0.00 0.00 34.95 35.26 1nuq s ARG 167 CO 0.57 -0.08 1.32 0.28 0.02 0.00 0.00 175.30 177.42 1nuq n VAL 168 N 3.09 0.81 -0.69 3.52 0.31 -1.26 -1.78 118.33 122.34 1nuq n VAL 168 Ca -0.15 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1nuq n VAL 168 Cb 0.57 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 1nuq n VAL 168 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nuq n SER 169 N 2.21 -0.32 -4.33 4.52 2.88 -1.26 -5.04 113.62 112.28 1nuq n SER 169 Ca 0.14 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.36 1nuq n SER 169 Cb 0.28 -0.05 -0.16 0.00 -0.75 0.00 0.00 64.21 63.53 1nuq n SER 169 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1nuq s HIS 170 N -3.16 2.38 -0.66 0.66 4.02 -0.73 -5.09 115.29 112.71 1nuq s HIS 170 Ca 0.00 -0.40 0.04 0.00 1.02 0.00 0.00 55.06 55.71 1nuq s HIS 170 Cb 0.00 -1.52 0.16 0.00 -1.02 0.00 0.00 32.58 30.21 1nuq s HIS 170 CO 0.00 -0.01 0.45 0.34 1.02 0.00 0.00 174.74 176.54 1nuq s ASP 171 N -0.64 4.80 0.24 1.40 2.15 -1.26 -4.72 116.67 118.64 1nuq s ASP 171 Ca 0.10 -3.56 -0.05 0.00 0.43 0.00 0.00 52.55 49.48 1nuq s ASP 171 Cb -0.10 -1.67 0.43 0.00 -0.30 0.00 0.00 42.92 41.27 1nuq s ASP 171 CO -0.01 -0.15 1.74 -0.65 -0.17 0.00 0.00 175.17 175.93 1nuq h PRO 172 N 5.84 0.44 -0.92 4.34 0.11 -1.95 -1.04 132.00 138.82 1nuq h PRO 172 Ca 0.07 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.21 1nuq h PRO 172 Cb 0.81 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.76 1nuq h PRO 172 CO 0.72 0.29 0.59 0.87 -0.21 0.00 0.00 178.00 180.26 1nuq h LYS 173 N 0.45 1.07 -0.46 1.05 1.57 -2.00 -0.90 116.57 117.36 1nuq h LYS 173 Ca 0.40 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.97 1nuq h LYS 173 Cb 0.58 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1nuq h LYS 173 CO -0.38 0.71 -0.26 0.78 -0.57 0.00 0.00 179.45 179.73 1nuq h GLY 174 N 1.10 1.07 1.00 3.86 0.00 -1.66 -1.72 103.07 106.73 1nuq h GLY 174 Ca 0.38 -0.99 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1nuq h GLY 174 CO -0.15 0.90 0.38 -0.97 0.00 0.00 0.00 176.54 176.70 1nuq h TYR 175 N 0.84 0.72 0.50 5.60 0.05 -0.72 -0.05 116.97 123.91 1nuq h TYR 175 Ca 0.10 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 1nuq h TYR 175 Cb 0.85 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1nuq h TYR 175 CO 0.06 0.45 -0.24 0.82 -1.05 0.00 0.00 178.16 178.20 1nuq h ILE 176 N 0.78 0.50 -0.69 -2.88 2.04 -1.08 -2.45 117.51 113.72 1nuq h ILE 176 Ca 0.21 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 66.05 1nuq h ILE 176 Cb -0.09 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1nuq h ILE 176 CO -0.05 0.02 0.46 0.00 0.00 0.00 0.00 178.15 178.58 1nuq h ALA 177 N -0.27 1.90 -0.01 1.87 0.00 -1.10 -1.79 119.26 119.86 1nuq h ALA 177 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nuq h ALA 177 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nuq h ALA 177 CO 0.11 -0.05 -0.08 0.39 0.00 0.00 0.00 179.25 179.62 1nuq n GLU 178 N -4.49 1.04 -3.65 0.00 1.02 -0.05 -4.75 120.64 109.77 1nuq n GLU 178 Ca 0.12 -0.44 -0.38 0.00 -0.02 0.00 0.00 57.16 56.43 1nuq n GLU 178 Cb 0.36 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.17 1nuq n GLU 178 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nuq s SER 179 N -2.26 5.60 0.35 1.62 0.15 -0.68 -4.96 113.70 113.50 1nuq s SER 179 Ca 0.34 -0.33 0.07 0.00 0.70 0.00 0.00 55.95 56.73 1nuq s SER 179 Cb 0.20 -2.02 0.76 0.00 -1.71 0.00 0.00 66.02 63.26 1nuq s SER 179 CO 0.42 -0.13 1.88 -0.65 1.20 0.00 0.00 173.24 175.97 1nuq h PRO 180 N 8.34 0.73 0.13 5.44 0.11 -1.85 -0.93 132.00 143.97 1nuq h PRO 180 Ca -0.34 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1nuq h PRO 180 Cb 1.16 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1nuq h PRO 180 CO 0.59 0.48 -0.06 0.82 -0.21 0.00 0.00 178.00 179.62 1nuq h ILE 181 N 0.75 0.91 -0.59 4.15 2.04 -1.93 -3.31 117.51 119.54 1nuq h ILE 181 Ca 0.43 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1nuq h ILE 181 Cb 0.60 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1nuq h ILE 181 CO -0.19 0.25 0.36 -0.07 0.00 0.00 0.00 178.15 178.49 1nuq h LEU 182 N -0.87 0.70 -2.67 1.44 3.38 -1.75 -2.71 115.31 112.83 1nuq h LEU 182 Ca -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1nuq h LEU 182 Cb 0.54 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1nuq h LEU 182 CO 0.03 0.55 -0.01 0.08 0.09 0.00 0.00 178.44 179.18 1nuq h ARG 183 N 0.79 0.00 -0.00 1.13 0.11 -1.06 -0.49 114.38 114.86 1nuq h ARG 183 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.29 1nuq h ARG 183 Cb -0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.06 1nuq h ARG 183 CO -0.04 0.01 -0.21 -1.33 0.10 0.00 0.00 179.97 178.50 1nuq n MET 184 N -3.28 0.56 -1.62 0.08 2.81 -1.02 -4.12 117.12 110.52 1nuq n MET 184 Ca -0.03 -0.25 -0.03 0.00 -1.81 0.00 0.00 57.70 55.58 1nuq n MET 184 Cb 0.11 -1.49 0.09 0.00 -0.71 0.00 0.00 33.22 31.21 1nuq n MET 184 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1nuq n HIS 185 N -1.00 0.95 0.27 2.03 8.25 -0.20 -4.89 115.22 120.64 1nuq n HIS 185 Ca 0.12 -1.57 0.12 0.00 -0.26 0.00 0.00 57.72 56.12 1nuq n HIS 185 Cb 0.31 -0.25 0.77 0.00 1.12 0.00 0.00 29.99 31.95 1nuq n HIS 185 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1nuq h GLN 186 N 1.62 0.00 0.00 -0.41 4.20 -1.70 -1.43 115.11 117.39 1nuq h GLN 186 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1nuq h GLN 186 Cb 1.40 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.18 1nuq h GLN 186 CO 0.25 0.05 -0.05 1.25 -0.67 0.00 0.00 178.83 179.67 1nuq h HIS 187 N 0.00 0.00 -0.70 2.96 2.76 -1.92 -1.27 115.15 116.97 1nuq h HIS 187 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1nuq h HIS 187 Cb 0.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1nuq h HIS 187 CO 0.00 0.05 0.00 0.09 -1.30 0.00 0.00 177.93 176.77 1nuq n ASN 188 N -3.96 3.84 -4.21 3.26 5.03 -0.54 -4.86 115.26 113.80 1nuq n ASN 188 Ca -0.03 -2.00 -0.32 0.00 0.87 0.00 0.00 54.58 53.10 1nuq n ASN 188 Cb 0.14 -0.47 -0.16 0.00 -1.02 0.00 0.00 39.78 38.27 1nuq n ASN 188 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nuq s ILE 189 N -1.07 2.19 -0.17 2.41 1.01 -0.48 -0.69 121.20 124.40 1nuq s ILE 189 Ca 0.48 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1nuq s ILE 189 Cb 0.25 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1nuq s ILE 189 CO 0.33 0.55 -0.20 -1.00 0.00 0.00 0.00 174.94 174.61 1nuq s HIS 190 N 0.58 2.74 -0.36 3.97 3.76 0.51 -4.92 115.29 121.57 1nuq s HIS 190 Ca -0.12 -1.52 -0.14 0.00 -0.15 0.00 0.00 55.06 53.13 1nuq s HIS 190 Cb -0.17 -1.88 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 1nuq s HIS 190 CO 0.04 -0.73 0.27 -0.51 -0.85 0.00 0.00 174.74 172.96 1nuq s LEU 191 N 1.11 4.70 -0.27 0.89 1.43 -1.26 -0.63 118.68 124.65 1nuq s LEU 191 Ca 0.00 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 1nuq s LEU 191 Cb -0.14 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1nuq s LEU 191 CO -0.09 -0.31 0.13 0.00 0.23 0.00 0.00 176.35 176.31 1nuq s ALA 192 N 1.74 3.34 0.16 4.21 0.00 0.32 -4.98 121.76 126.55 1nuq s ALA 192 Ca 0.06 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.64 1nuq s ALA 192 Cb -0.18 -2.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.58 1nuq s ALA 192 CO 0.11 -0.54 0.81 0.15 0.00 0.00 0.00 175.76 176.28 1nuq s LYS 193 N 1.68 4.60 -0.68 0.00 -0.14 -1.26 -1.52 119.74 122.42 1nuq s LYS 193 Ca 0.07 1.20 -0.15 0.00 -1.36 0.00 0.00 55.97 55.73 1nuq s LYS 193 Cb -0.16 -3.29 0.17 0.00 -1.68 0.00 0.00 37.83 32.88 1nuq s LYS 193 CO 0.07 0.50 0.63 -2.00 -0.76 0.00 0.00 175.35 173.80 1nuq s GLU 194 N -0.93 3.30 0.23 1.68 2.56 -1.26 -4.85 118.70 119.43 1nuq s GLU 194 Ca 0.37 -2.09 0.18 0.00 0.00 0.00 0.00 54.97 53.43 1nuq s GLU 194 Cb -0.23 -4.36 0.89 0.00 2.00 0.00 0.00 34.13 32.43 1nuq s GLU 194 CO 0.27 -1.31 1.54 -0.35 -0.56 0.00 0.00 175.26 174.85 1nuq n PRO 195 N 4.61 0.12 -3.93 4.30 -0.04 -1.26 -4.69 135.00 134.10 1nuq n PRO 195 Ca -0.00 0.55 -0.30 0.00 -0.04 0.00 0.00 63.50 63.71 1nuq n PRO 195 Cb 0.43 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 32.02 1nuq n PRO 195 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nuq s VAL 196 N -3.37 5.34 -0.57 0.52 1.01 -1.26 -5.06 120.40 117.00 1nuq s VAL 196 Ca -0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1nuq s VAL 196 Cb 0.06 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.88 1nuq s VAL 196 CO 0.20 0.09 0.78 -1.58 0.00 0.00 0.00 175.10 174.60 1nuq s GLN 197 N -2.65 3.13 -0.47 2.72 0.74 -1.26 -4.96 119.66 116.91 1nuq s GLN 197 Ca 0.35 -0.89 0.03 0.00 0.05 0.00 0.00 55.36 54.89 1nuq s GLN 197 Cb -0.13 -4.17 0.13 0.00 1.10 0.00 0.00 33.01 29.95 1nuq s GLN 197 CO 0.28 -1.50 0.25 -0.80 -0.55 0.00 0.00 175.29 172.97 1nuq s ASN 198 N 3.21 3.87 -0.61 6.67 0.01 -1.26 -4.99 114.94 121.84 1nuq s ASN 198 Ca 0.18 -2.77 0.05 0.00 -0.71 0.00 0.00 52.86 49.61 1nuq s ASN 198 Cb -0.19 -1.24 0.19 0.00 0.41 0.00 0.00 41.25 40.42 1nuq s ASN 198 CO 0.11 -0.25 0.51 1.21 -1.51 0.00 0.00 177.10 177.17 1nuq n GLU 199 N 3.38 1.54 -3.77 -0.60 4.07 -1.26 -4.92 120.64 119.07 1nuq n GLU 199 Ca 0.08 -4.17 -0.37 0.00 -0.06 0.00 0.00 57.16 52.64 1nuq n GLU 199 Cb 0.34 -2.08 -0.13 0.00 -0.06 0.00 0.00 31.44 29.51 1nuq n GLU 199 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1nuq s ILE 200 N -1.31 3.91 0.12 6.31 1.01 -1.26 -5.09 121.20 124.89 1nuq s ILE 200 Ca 0.30 -0.74 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 1nuq s ILE 200 Cb 0.02 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 1nuq s ILE 200 CO -0.14 0.07 0.71 -0.94 0.00 0.00 0.00 174.94 174.64 1nuq s SER 201 N 1.49 7.27 0.35 3.58 1.04 -1.26 -4.95 113.70 121.21 1nuq s SER 201 Ca 0.02 1.50 0.08 0.00 0.48 0.00 0.00 55.95 58.03 1nuq s SER 201 Cb -0.17 -2.45 0.65 0.00 0.10 0.00 0.00 66.02 64.15 1nuq s SER 201 CO 0.02 0.20 1.84 0.00 0.98 0.00 0.00 173.24 176.28 1nuq h ALA 202 N 4.62 1.36 -0.60 5.32 0.00 -1.93 -1.65 119.26 126.38 1nuq h ALA 202 Ca -0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 1nuq h ALA 202 Cb 1.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1nuq h ALA 202 CO 0.66 0.44 0.30 1.15 0.00 0.00 0.00 179.25 181.80 1nuq h THR 203 N 0.27 1.21 -0.48 0.00 2.02 -1.93 -0.15 112.91 113.85 1nuq h THR 203 Ca 0.05 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1nuq h THR 203 Cb 0.50 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1nuq h THR 203 CO 0.03 0.23 0.13 0.22 0.37 0.00 0.00 175.52 176.50 1nuq h TYR 204 N 0.81 0.79 -0.41 3.16 3.20 -1.83 -1.08 116.97 121.61 1nuq h TYR 204 Ca 0.21 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.05 1nuq h TYR 204 Cb 0.09 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 1nuq h TYR 204 CO -0.00 0.71 0.12 0.82 -1.64 0.00 0.00 178.16 178.16 1nuq h ILE 205 N 0.64 0.84 -0.64 1.81 1.08 -0.80 0.17 117.51 120.60 1nuq h ILE 205 Ca 0.15 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1nuq h ILE 205 Cb 0.30 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1nuq h ILE 205 CO -0.00 0.05 0.27 0.03 -0.69 0.00 0.00 178.15 177.81 1nuq h ARG 206 N 0.27 0.94 -0.46 2.37 3.08 -0.78 -0.74 114.38 119.06 1nuq h ARG 206 Ca 0.20 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1nuq h ARG 206 Cb 0.21 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1nuq h ARG 206 CO -0.22 0.78 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.34 1nuq h ARG 207 N 0.89 0.82 -0.23 0.04 2.43 -0.70 -0.18 114.38 117.45 1nuq h ARG 207 Ca 0.21 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1nuq h ARG 207 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1nuq h ARG 207 CO -0.02 0.89 0.14 0.00 -1.51 0.00 0.00 179.97 179.47 1nuq h ALA 208 N 0.90 0.28 -0.60 2.80 0.00 -0.46 -1.26 119.26 120.92 1nuq h ALA 208 Ca 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nuq h ALA 208 Cb 0.54 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1nuq h ALA 208 CO 0.03 -0.25 0.40 -0.07 0.00 0.00 0.00 179.25 179.35 1nuq h LEU 209 N 0.29 0.68 -2.21 0.00 3.38 -0.98 -0.03 115.31 116.45 1nuq h LEU 209 Ca 0.09 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1nuq h LEU 209 Cb -0.02 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1nuq h LEU 209 CO -0.03 0.49 0.02 1.23 0.09 0.00 0.00 178.44 180.24 1nuq h GLY 210 N 0.81 0.00 -0.97 0.83 0.00 -0.54 -0.64 103.07 102.55 1nuq h GLY 210 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1nuq h GLY 210 CO -0.06 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.42 1nuq n GLN 211 N -4.21 1.85 -1.17 4.80 6.02 -0.48 -4.93 117.38 119.26 1nuq n GLN 211 Ca -0.02 -1.26 -0.04 0.00 -0.01 0.00 0.00 57.00 55.66 1nuq n GLN 211 Cb 0.11 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 1nuq n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nuq n GLY 212 N 1.21 0.66 3.93 1.08 0.00 -0.25 -5.04 105.19 106.78 1nuq n GLY 212 Ca 0.17 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 1nuq n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nuq s GLN 213 N -2.44 3.52 0.38 1.61 -0.21 -0.15 -5.01 119.66 117.36 1nuq s GLN 213 Ca 0.00 -0.35 -0.26 0.00 0.02 0.00 0.00 55.36 54.77 1nuq s GLN 213 Cb 0.00 -2.82 -0.09 0.00 1.00 0.00 0.00 33.01 31.10 1nuq s GLN 213 CO 0.00 0.38 1.20 0.45 -2.12 0.00 0.00 175.29 175.20 1nuq s SER 214 N -3.28 6.59 -0.03 5.90 0.15 -1.26 -4.14 113.70 117.62 1nuq s SER 214 Ca 0.38 2.43 0.05 0.00 0.70 0.00 0.00 55.95 59.52 1nuq s SER 214 Cb -0.11 -2.62 0.08 0.00 -1.71 0.00 0.00 66.02 61.66 1nuq s SER 214 CO 0.30 -0.64 0.92 1.33 1.20 0.00 0.00 173.24 176.35 1nuq n VAL 215 N 0.28 0.79 -1.73 4.45 0.24 -1.26 -4.94 118.33 116.16 1nuq n VAL 215 Ca 0.03 -0.90 -0.40 0.00 -2.04 0.00 0.00 64.34 61.03 1nuq n VAL 215 Cb 0.45 0.42 0.02 0.00 -1.47 0.00 0.00 33.84 33.26 1nuq n VAL 215 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1nuq n LYS 216 N -0.53 2.07 -0.91 7.34 4.81 -1.26 -1.15 118.16 128.53 1nuq n LYS 216 Ca 0.04 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1nuq n LYS 216 Cb 0.51 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.06 1nuq n LYS 216 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nuq n TYR 217 N -0.23 0.00 -0.08 5.64 4.01 -1.26 -4.77 117.16 120.48 1nuq n TYR 217 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 1nuq n TYR 217 Cb 0.40 -0.37 -0.11 0.00 -0.31 0.00 0.00 39.34 38.96 1nuq n TYR 217 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1nuq n LEU 218 N 0.00 0.82 -4.15 7.72 4.77 -0.30 -4.99 117.00 120.88 1nuq n LEU 218 Ca 0.00 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1nuq n LEU 218 Cb 0.03 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1nuq n LEU 218 CO 0.00 0.48 -0.38 0.27 -1.33 0.00 0.00 177.39 176.43 1nuq s ILE 219 N -2.35 0.62 0.45 -0.08 -4.36 -1.18 -1.32 121.20 112.97 1nuq s ILE 219 Ca -0.12 -1.82 -0.25 0.00 -0.26 0.00 0.00 60.65 58.20 1nuq s ILE 219 Cb 0.05 -1.54 -0.09 0.00 1.25 0.00 0.00 42.46 42.13 1nuq s ILE 219 CO 0.55 -0.83 1.35 -2.65 0.24 0.00 0.00 174.94 173.59 1nuq n PRO 220 N 0.15 2.04 -0.20 0.37 -0.02 -1.26 -4.80 135.00 131.27 1nuq n PRO 220 Ca -0.14 0.73 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 1nuq n PRO 220 Cb 0.60 -2.51 0.12 0.00 -0.02 0.00 0.00 33.50 31.68 1nuq n PRO 220 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nuq h ASP 221 N 2.10 0.02 -0.74 2.55 3.32 -1.98 -0.91 116.42 120.77 1nuq h ASP 221 Ca -0.49 0.11 0.04 0.00 0.02 0.00 0.00 57.03 56.71 1nuq h ASP 221 Cb 1.28 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.94 1nuq h ASP 221 CO 0.60 0.01 0.49 0.00 -1.72 0.00 0.00 179.24 178.62 1nuq h ALA 222 N 1.49 1.58 -0.52 3.45 0.00 -1.91 0.58 119.26 123.94 1nuq h ALA 222 Ca 0.32 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1nuq h ALA 222 Cb 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1nuq h ALA 222 CO -0.41 0.34 -0.15 0.28 0.00 0.00 0.00 179.25 179.31 1nuq h VAL 223 N 0.89 1.27 -0.49 0.00 2.07 -1.51 -1.16 116.25 117.31 1nuq h VAL 223 Ca 0.30 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1nuq h VAL 223 Cb 0.08 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1nuq h VAL 223 CO -0.09 0.46 0.27 0.40 0.02 0.00 0.00 177.57 178.64 1nuq h ILE 224 N 0.89 1.17 -0.38 4.57 2.04 -0.38 -0.44 117.51 124.99 1nuq h ILE 224 Ca 0.13 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1nuq h ILE 224 Cb 0.73 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1nuq h ILE 224 CO 0.06 0.18 0.22 0.74 0.00 0.00 0.00 178.15 179.34 1nuq h THR 225 N 0.64 1.14 -0.57 -0.27 2.02 -0.77 -1.65 112.91 113.44 1nuq h THR 225 Ca 0.17 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.06 1nuq h THR 225 Cb 0.04 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1nuq h THR 225 CO -0.03 0.14 0.32 0.22 0.37 0.00 0.00 175.52 176.54 1nuq h TYR 226 N 0.49 0.60 -0.53 3.16 5.03 -0.95 0.99 116.97 125.75 1nuq h TYR 226 Ca 0.13 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.51 1nuq h TYR 226 Cb 0.03 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.08 1nuq h TYR 226 CO -0.03 0.32 0.28 0.82 -1.32 0.00 0.00 178.16 178.23 1nuq h ILE 227 N 0.63 0.98 0.26 1.81 2.04 -0.65 -0.83 117.51 121.74 1nuq h ILE 227 Ca 0.24 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1nuq h ILE 227 Cb 0.10 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1nuq h ILE 227 CO -0.14 0.10 -0.12 0.50 0.00 0.00 0.00 178.15 178.49 1nuq h LYS 228 N 0.55 -0.33 -0.92 2.37 3.64 -0.80 -1.20 116.57 119.88 1nuq h LYS 228 Ca 0.23 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.81 1nuq h LYS 228 Cb 0.12 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.91 1nuq h LYS 228 CO -0.15 -0.05 0.50 -0.44 -2.27 0.00 0.00 179.45 177.04 1nuq h ASP 229 N -0.61 0.60 -0.66 4.20 3.32 -0.60 -1.91 116.42 120.76 1nuq h ASP 229 Ca -0.04 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1nuq h ASP 229 Cb 0.44 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1nuq h ASP 229 CO 0.06 0.21 0.00 1.41 -1.72 0.00 0.00 179.24 179.20 1nuq n HIS 230 N -4.85 1.34 -3.26 4.55 8.25 -0.34 -4.97 115.22 115.95 1nuq n HIS 230 Ca 0.20 -0.56 -0.23 0.00 -0.26 0.00 0.00 57.72 56.87 1nuq n HIS 230 Cb 0.52 -0.18 0.03 0.00 1.12 0.00 0.00 29.99 31.47 1nuq n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nuq n GLY 231 N 1.26 -0.51 3.84 -1.41 0.00 -0.72 -4.97 105.19 102.68 1nuq n GLY 231 Ca 0.25 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 1nuq n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nuq s LEU 232 N -6.73 3.91 -1.50 0.99 1.43 -0.52 -4.13 118.68 112.13 1nuq s LEU 232 Ca 0.39 1.48 -0.06 0.00 -1.03 0.00 0.00 54.13 54.92 1nuq s LEU 232 Cb -0.19 -4.34 0.01 0.00 0.03 0.00 0.00 46.19 41.70 1nuq s LEU 232 CO 0.48 -0.36 0.75 -1.22 0.23 0.00 0.00 176.35 176.24 1nuq n TYR 233 N -0.79 -2.19 -0.46 0.29 4.01 -1.26 -4.84 117.16 111.91 1nuq n TYR 233 Ca 0.05 0.65 0.00 0.00 -0.16 0.00 0.00 57.90 58.44 1nuq n TYR 233 Cb 0.54 -4.63 0.00 0.00 -0.31 0.00 0.00 39.34 34.94 1nuq n TYR 233 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03