#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 4.79 0.05 4.33 0.52 -1.26 -4.97 118.95 122.42 1nuq s ARG 4 Ca 0.00 1.53 -0.21 0.00 -0.52 0.00 0.00 55.73 56.53 1nuq s ARG 4 Cb 0.00 -3.29 -0.06 0.00 0.52 0.00 0.00 34.95 32.12 1nuq s ARG 4 CO 0.00 0.41 0.63 0.96 0.02 0.00 0.00 175.30 177.32 1nuq s ILE 5 N -0.93 4.75 0.41 1.52 -4.36 -0.57 -4.75 121.20 117.27 1nuq s ILE 5 Ca 0.43 1.34 -0.25 0.00 -0.26 0.00 0.00 60.65 61.91 1nuq s ILE 5 Cb -0.26 -3.97 -0.08 0.00 1.25 0.00 0.00 42.46 39.39 1nuq s ILE 5 CO 0.33 0.48 1.22 -2.84 0.24 0.00 0.00 174.94 174.37 1nuq s PRO 6 N -0.66 3.96 -0.00 0.37 0.02 -1.26 -1.66 135.00 135.76 1nuq s PRO 6 Ca 0.32 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.30 1nuq s PRO 6 Cb -0.20 -2.66 -0.00 0.00 0.02 0.00 0.00 34.50 31.66 1nuq s PRO 6 CO 0.20 -0.43 -0.04 0.08 -0.33 0.00 0.00 177.00 176.48 1nuq s VAL 7 N -1.37 0.30 -0.10 3.83 1.01 -0.42 -0.95 120.40 122.71 1nuq s VAL 7 Ca 0.58 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.44 1nuq s VAL 7 Cb -0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 1nuq s VAL 7 CO 0.42 0.09 -0.22 -0.69 0.00 0.00 0.00 175.10 174.70 1nuq s VAL 8 N -0.06 2.24 -0.22 2.92 1.01 -0.36 -0.83 120.40 125.09 1nuq s VAL 8 Ca 0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1nuq s VAL 8 Cb -0.02 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1nuq s VAL 8 CO -0.00 0.56 0.19 -0.76 0.00 0.00 0.00 175.10 175.08 1nuq s LEU 9 N 0.28 4.15 -0.18 3.92 1.43 0.12 -1.33 118.68 127.06 1nuq s LEU 9 Ca -0.16 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1nuq s LEU 9 Cb -0.17 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 1nuq s LEU 9 CO 0.08 0.08 -0.11 -0.22 0.23 0.00 0.00 176.35 176.41 1nuq s LEU 10 N 0.85 2.63 -0.26 1.79 2.96 0.07 0.21 118.68 126.92 1nuq s LEU 10 Ca 0.10 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1nuq s LEU 10 Cb -0.13 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 44.96 1nuq s LEU 10 CO 0.03 0.04 -0.02 0.00 -1.32 0.00 0.00 176.35 175.07 1nuq s ALA 11 N 1.11 2.79 -0.15 5.97 0.00 0.72 0.23 121.76 132.44 1nuq s ALA 11 Ca 0.01 -1.50 -0.08 0.00 0.00 0.00 0.00 51.96 50.39 1nuq s ALA 11 Cb -0.14 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1nuq s ALA 11 CO -0.03 -0.89 0.12 0.00 0.00 0.00 0.00 175.76 174.95 1nuq n GLY 13 N 2.70 -1.16 0.13 0.00 0.00 -1.17 -4.99 105.19 100.70 1nuq n GLY 13 Ca -0.18 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 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 0.45 -6.13 1.61 0.02 -1.94 0.16 113.55 107.72 1nuq h SER 14 Ca 0.00 -0.75 -0.34 0.00 -0.84 0.00 0.00 61.79 59.86 1nuq h SER 14 Cb 0.00 -0.14 0.05 0.00 0.14 0.00 0.00 62.40 62.46 1nuq h SER 14 CO 0.00 1.14 -0.76 0.49 -1.14 0.00 0.00 176.83 176.55 1nuq n PHE 15 N -4.31 -2.19 -3.19 3.45 3.72 -1.26 -4.37 117.46 109.31 1nuq n PHE 15 Ca -0.10 0.70 -0.25 0.00 -0.05 0.00 0.00 57.45 57.74 1nuq n PHE 15 Cb 0.61 -3.46 -0.06 0.00 -0.94 0.00 0.00 39.48 35.63 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 3.12 -4.91 4.37 4.05 -1.26 -3.35 115.26 114.80 1nuq n ASN 16 Ca -0.12 -3.37 -0.21 0.00 0.45 0.00 0.00 54.58 51.34 1nuq n ASN 16 Cb 0.59 -0.62 0.07 0.00 1.23 0.00 0.00 39.78 41.05 1nuq n ASN 16 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1nuq s PRO 17 N -2.64 2.22 0.35 1.20 0.04 -1.26 -4.83 135.00 130.07 1nuq s PRO 17 Ca 0.42 -1.31 -0.28 0.00 0.04 0.00 0.00 61.00 59.87 1nuq s PRO 17 Cb 0.22 -2.55 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1nuq s PRO 17 CO -0.08 -0.94 1.32 -1.50 0.04 0.00 0.00 177.00 175.84 1nuq s ILE 18 N -2.78 2.65 0.39 0.56 2.07 -1.21 -4.93 121.20 117.95 1nuq s ILE 18 Ca 0.62 0.64 0.06 0.00 -1.41 0.00 0.00 60.65 60.56 1nuq s ILE 18 Cb -0.07 -3.40 -0.08 0.00 0.13 0.00 0.00 42.46 39.04 1nuq s ILE 18 CO 0.40 0.14 0.02 0.42 -1.91 0.00 0.00 174.94 174.01 1nuq s THR 19 N -1.16 1.79 0.53 4.00 -4.23 -1.26 -4.73 115.64 110.57 1nuq s THR 19 Ca 0.51 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.19 1nuq s THR 19 Cb -0.40 -2.94 0.28 0.00 1.34 0.00 0.00 72.50 70.78 1nuq s THR 19 CO 0.53 0.00 2.15 0.78 -0.54 0.00 0.00 174.62 177.54 1nuq h ASN 20 N 1.85 0.00 -0.37 3.99 2.35 -1.49 -2.21 115.58 119.70 1nuq h ASN 20 Ca -0.43 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.23 1nuq h ASN 20 Cb 1.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 1nuq h ASN 20 CO 0.78 0.00 -0.12 0.24 -1.65 0.00 0.00 177.43 176.68 1nuq h MET 21 N 0.00 0.73 -0.84 0.81 2.86 -1.92 0.11 114.93 116.68 1nuq h MET 21 Ca 0.01 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1nuq h MET 21 Cb 0.04 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1nuq h MET 21 CO -0.00 0.89 0.45 0.45 1.06 0.00 0.00 176.91 179.77 1nuq h HIS 22 N 0.53 1.17 -0.28 -0.22 3.86 -1.80 -2.29 115.15 116.11 1nuq h HIS 22 Ca 0.09 -0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.08 1nuq h HIS 22 Cb 0.64 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1nuq h HIS 22 CO 0.05 0.82 -0.55 -0.07 0.86 0.00 0.00 177.93 179.05 1nuq h LEU 23 N 1.18 0.94 -1.24 2.43 3.38 -1.27 -2.98 115.31 117.75 1nuq h LEU 23 Ca 0.29 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1nuq h LEU 23 Cb 0.05 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1nuq h LEU 23 CO -0.05 1.29 0.54 -0.09 0.09 0.00 0.00 178.44 180.23 1nuq h ARG 24 N 0.65 0.89 -0.76 1.13 9.65 -0.59 -1.58 114.38 123.77 1nuq h ARG 24 Ca 0.01 -0.05 0.13 0.00 -1.10 0.00 0.00 59.98 58.98 1nuq h ARG 24 Cb 1.15 -0.20 -0.09 0.00 -1.39 0.00 0.00 29.97 29.44 1nuq h ARG 24 CO 0.12 0.59 0.33 1.98 2.80 0.00 0.00 179.97 185.79 1nuq h MET 25 N 0.91 0.49 -0.51 0.20 4.05 -1.25 -0.30 114.93 118.52 1nuq h MET 25 Ca 0.36 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.73 1nuq h MET 25 Cb 0.23 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 1nuq h MET 25 CO -0.13 0.32 0.23 0.74 0.23 0.00 0.00 176.91 178.30 1nuq h PHE 26 N 0.50 0.75 -0.25 1.39 -1.00 -1.36 -1.61 116.94 115.36 1nuq h PHE 26 Ca 0.41 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 61.12 1nuq h PHE 26 Cb 0.59 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1nuq h PHE 26 CO -0.14 0.60 0.05 0.93 -1.61 0.00 0.00 178.31 178.14 1nuq h GLU 27 N 0.68 0.40 -0.18 1.51 4.39 -1.14 -1.27 114.58 118.97 1nuq h GLU 27 Ca 0.17 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1nuq h GLU 27 Cb 0.15 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1nuq h GLU 27 CO -0.02 0.52 0.11 0.28 -1.16 0.00 0.00 179.01 178.75 1nuq h VAL 28 N 0.22 1.07 -0.68 3.13 2.07 -1.07 -1.97 116.25 119.02 1nuq h VAL 28 Ca 0.08 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1nuq h VAL 28 Cb 0.31 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1nuq h VAL 28 CO 0.00 0.07 0.42 0.00 0.02 0.00 0.00 177.57 178.08 1nuq h ALA 29 N 1.03 0.90 -0.16 1.67 0.00 -1.21 -1.09 119.26 120.41 1nuq h ALA 29 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nuq h ALA 29 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1nuq h ALA 29 CO -0.01 0.16 0.05 -0.09 0.00 0.00 0.00 179.25 179.36 1nuq h ARG 30 N 0.80 0.24 -0.84 0.00 2.43 -1.00 -0.87 114.38 115.14 1nuq h ARG 30 Ca 0.28 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1nuq h ARG 30 Cb 0.07 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1nuq h ARG 30 CO -0.13 0.35 0.53 -0.44 -1.51 0.00 0.00 179.97 178.78 1nuq h ASP 31 N 0.08 0.87 0.40 -3.80 3.32 -1.19 -0.14 116.42 115.96 1nuq h ASP 31 Ca 0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1nuq h ASP 31 Cb 0.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1nuq h ASP 31 CO -0.00 0.59 -0.28 -0.74 -1.72 0.00 0.00 179.24 177.09 1nuq h HIS 32 N 1.02 -0.73 -0.90 4.55 2.76 -0.87 0.88 115.15 121.86 1nuq h HIS 32 Ca 0.34 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.58 1nuq h HIS 32 Cb 0.05 0.27 -0.06 0.00 1.55 0.00 0.00 27.41 29.22 1nuq h HIS 32 CO -0.03 -0.42 0.58 -0.07 -1.30 0.00 0.00 177.93 176.70 1nuq h LEU 33 N -0.66 0.88 -0.68 0.26 3.38 -0.88 -1.65 115.31 115.96 1nuq h LEU 33 Ca -0.04 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1nuq h LEU 33 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1nuq h LEU 33 CO 0.02 0.55 -0.29 0.45 0.09 0.00 0.00 178.44 179.26 1nuq h HIS 34 N 0.99 0.82 0.00 1.13 3.86 -0.50 -2.86 115.15 118.58 1nuq h HIS 34 Ca 0.40 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1nuq h HIS 34 Cb 0.25 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 1nuq h HIS 34 CO -0.00 0.92 -0.04 1.96 0.86 0.00 0.00 177.93 181.62 1nuq h GLN 35 N 0.61 0.00 0.00 2.45 4.20 0.12 -0.74 115.11 121.75 1nuq h GLN 35 Ca 0.07 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1nuq h GLN 35 Cb 0.80 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1nuq h GLN 35 CO 0.07 0.04 -0.22 1.79 -0.67 0.00 0.00 178.83 179.84 1nuq h THR 36 N 0.00 0.51 0.00 -0.54 1.35 -1.24 -3.47 112.91 109.52 1nuq h THR 36 Ca -0.00 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1nuq h THR 36 Cb 0.17 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1nuq h THR 36 CO 0.01 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1nuq n GLY 37 N 0.31 1.91 0.32 5.82 0.00 -0.28 -4.88 105.19 108.39 1nuq n GLY 37 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1nuq n GLY 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nuq n MET 38 N -2.00 1.78 -4.39 1.61 0.00 -1.26 -4.76 117.12 108.10 1nuq n MET 38 Ca 0.00 -0.73 -0.23 0.00 0.00 0.00 0.00 57.70 56.74 1nuq n MET 38 Cb 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 33.22 31.88 1nuq n MET 38 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1nuq s TYR 39 N -1.82 2.04 -0.27 3.17 2.02 -1.25 -1.52 117.35 119.71 1nuq s TYR 39 Ca 0.12 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1nuq s TYR 39 Cb 0.12 -0.98 0.09 0.00 -0.40 0.00 0.00 41.96 40.79 1nuq s TYR 39 CO 0.39 0.46 0.09 -1.14 -1.57 0.00 0.00 175.55 173.77 1nuq s GLN 40 N -2.99 0.60 -0.12 -0.62 0.74 -0.67 -4.42 119.66 112.19 1nuq s GLN 40 Ca 0.21 -0.78 -0.29 0.00 0.05 0.00 0.00 55.36 54.54 1nuq s GLN 40 Cb -0.06 -1.86 -0.03 0.00 1.10 0.00 0.00 33.01 32.16 1nuq s GLN 40 CO 0.09 -0.90 1.37 0.08 -0.55 0.00 0.00 175.29 175.39 1nuq s VAL 41 N 1.78 4.05 -0.51 1.34 1.01 -1.26 -1.29 120.40 125.52 1nuq s VAL 41 Ca 0.07 1.30 0.15 0.00 0.00 0.00 0.00 61.98 63.49 1nuq s VAL 41 Cb -0.17 -3.84 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 1nuq s VAL 41 CO -0.23 -0.10 0.55 2.30 0.00 0.00 0.00 175.10 177.62 1nuq n ILE 42 N 5.29 0.00 -3.56 2.22 -5.35 -0.01 -4.90 119.36 113.04 1nuq n ILE 42 Ca 0.14 -0.21 -0.10 0.00 -0.27 0.00 0.00 62.75 62.32 1nuq n ILE 42 Cb 0.44 0.75 -0.04 0.00 -1.74 0.00 0.00 39.64 39.05 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 -2.60 0.62 0.03 6.28 0.74 -1.23 -4.98 119.66 118.51 1nuq s GLN 43 Ca 0.02 0.05 0.07 0.00 0.05 0.00 0.00 55.36 55.56 1nuq s GLN 43 Cb 0.11 0.29 -0.02 0.00 1.10 0.00 0.00 33.01 34.49 1nuq s GLN 43 CO 0.62 -0.21 -0.21 0.20 -0.55 0.00 0.00 175.29 175.14 1nuq s GLY 44 N -1.40 1.09 -0.08 2.59 0.00 0.11 -0.70 107.32 108.92 1nuq s GLY 44 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1nuq s GLY 44 CO -0.01 -0.91 -0.09 -0.42 0.00 0.00 0.00 173.10 171.67 1nuq s ILE 45 N -0.71 0.95 -0.28 0.90 1.01 0.13 -1.26 121.20 121.94 1nuq s ILE 45 Ca 0.08 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 1nuq s ILE 45 Cb -0.09 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1nuq s ILE 45 CO 0.01 0.33 0.20 -0.63 0.00 0.00 0.00 174.94 174.85 1nuq s ILE 46 N 1.08 5.30 -0.44 2.92 -1.09 -0.14 -0.20 121.20 128.62 1nuq s ILE 46 Ca -0.07 0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.54 1nuq s ILE 46 Cb -0.14 -3.55 0.12 0.00 -1.58 0.00 0.00 42.46 37.30 1nuq s ILE 46 CO -0.01 0.22 0.18 -0.55 -1.23 0.00 0.00 174.94 173.56 1nuq s SER 47 N 1.75 4.31 0.40 3.58 0.15 0.04 -0.47 113.70 123.46 1nuq s SER 47 Ca 0.07 -2.59 -0.27 0.00 0.70 0.00 0.00 55.95 53.86 1nuq s SER 47 Cb -0.16 -1.47 -0.10 0.00 -1.71 0.00 0.00 66.02 62.57 1nuq s SER 47 CO 0.11 -0.29 1.48 -2.65 1.20 0.00 0.00 173.24 173.09 1nuq n PRO 48 N 3.65 2.59 -1.88 5.44 -0.02 -1.26 -3.07 135.00 140.45 1nuq n PRO 48 Ca 0.05 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 62.10 1nuq n PRO 48 Cb 0.36 -2.67 0.04 0.00 -0.02 0.00 0.00 33.50 31.21 1nuq n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nuq s VAL 49 N -1.14 3.13 0.65 -1.45 0.11 0.04 -3.57 120.40 118.17 1nuq s VAL 49 Ca 0.55 0.58 -0.17 0.00 -2.93 0.00 0.00 61.98 60.01 1nuq s VAL 49 Cb -0.47 -3.13 -0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1nuq s VAL 49 CO 0.62 -0.27 1.19 0.21 -3.33 0.00 0.00 175.10 173.52 1nuq s ASN 50 N -2.28 4.84 0.32 3.54 3.84 -1.26 -4.73 114.94 119.21 1nuq s ASN 50 Ca 0.69 2.31 0.25 0.00 0.21 0.00 0.00 52.86 56.33 1nuq s ASN 50 Cb -0.22 -2.59 1.14 0.00 -0.55 0.00 0.00 41.25 39.03 1nuq s ASN 50 CO 0.37 -1.83 1.75 0.44 -2.79 0.00 0.00 177.10 175.05 1nuq h ASP 51 N 0.34 0.00 0.52 -4.21 3.32 -1.93 -2.71 116.42 111.75 1nuq h ASP 51 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1nuq h ASP 51 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1nuq h ASP 51 CO 0.53 0.00 -0.15 0.35 -1.72 0.00 0.00 179.24 178.25 1nuq n THR 52 N -2.36 0.00 -2.14 0.35 -2.24 -1.26 -4.91 114.28 101.72 1nuq n THR 52 Ca 0.01 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 1nuq n THR 52 Cb 0.17 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.67 2.91 0.00 4.78 5.04 -1.02 -4.88 117.35 121.50 1nuq s TYR 53 Ca 0.23 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 1nuq s TYR 53 Cb 0.19 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.93 1nuq s TYR 53 CO 0.52 -1.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.33 1nuq n GLY 54 N 0.68 -0.77 0.06 8.97 0.00 -1.26 -4.61 105.19 108.25 1nuq n GLY 54 Ca 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.74 0.74 -2.50 1.61 5.02 -1.26 -4.98 118.16 115.04 1nuq n LYS 55 Ca 0.00 -0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 1nuq n LYS 55 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 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 -2.90 4.57 -0.22 1.97 2.20 -1.26 -5.01 119.74 119.09 1nuq s LYS 56 Ca -0.09 1.74 -0.28 0.00 -0.36 0.00 0.00 55.97 56.98 1nuq s LYS 56 Cb 0.09 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1nuq s LYS 56 CO 0.83 0.16 1.00 -0.51 -0.36 0.00 0.00 175.35 176.47 1nuq s ASP 57 N -1.02 7.07 0.24 1.43 1.01 -1.26 -5.01 116.67 119.13 1nuq s ASP 57 Ca 0.47 1.33 0.06 0.00 0.71 0.00 0.00 52.55 55.12 1nuq s ASP 57 Cb -0.30 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.07 1nuq s ASP 57 CO 0.38 -0.62 0.22 -0.76 0.21 0.00 0.00 175.17 174.61 1nuq s LEU 58 N 3.00 3.93 0.75 1.23 1.43 -1.26 -5.08 118.68 122.67 1nuq s LEU 58 Ca 0.43 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 1nuq s LEU 58 Cb -0.15 -2.47 0.05 0.00 0.03 0.00 0.00 46.19 43.64 1nuq s LEU 58 CO 0.08 -0.03 1.14 0.00 0.23 0.00 0.00 176.35 177.77 1nuq s ALA 59 N -2.04 2.16 0.31 4.21 0.00 -1.26 -4.90 121.76 120.24 1nuq s ALA 59 Ca 0.33 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 1nuq s ALA 59 Cb -0.08 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1nuq s ALA 59 CO 0.26 -1.80 1.28 0.00 0.00 0.00 0.00 175.76 175.50 1nuq n ALA 60 N -3.05 1.06 -0.10 0.00 0.00 -1.26 -4.72 120.51 112.45 1nuq n ALA 60 Ca 0.11 0.38 0.18 0.00 0.00 0.00 0.00 53.44 54.11 1nuq n ALA 60 Cb 0.52 -2.23 0.60 0.00 0.00 0.00 0.00 19.45 18.34 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 2.87 0.20 -0.49 0.00 4.64 -1.90 0.17 113.55 119.03 1nuq h SER 61 Ca -0.45 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 60.97 1nuq h SER 61 Cb 1.29 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 1nuq h SER 61 CO 0.65 0.10 0.07 -0.74 -0.87 0.00 0.00 176.83 176.04 1nuq h HIS 62 N 0.21 0.10 -0.26 4.77 -0.00 -1.96 0.15 115.15 118.17 1nuq h HIS 62 Ca 0.33 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.58 1nuq h HIS 62 Cb 0.99 0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.43 1nuq h HIS 62 CO -0.00 -0.04 -0.42 0.45 -0.00 0.00 0.00 177.93 177.92 1nuq h HIS 63 N 0.20 0.93 -0.58 5.26 3.86 -1.05 -2.27 115.15 121.50 1nuq h HIS 63 Ca 0.25 -0.32 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1nuq h HIS 63 Cb 0.34 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 1nuq h HIS 63 CO -0.25 1.11 0.16 0.00 0.86 0.00 0.00 177.93 179.81 1nuq h ARG 64 N 0.49 0.88 -0.37 2.45 3.08 -0.69 0.10 114.38 120.32 1nuq h ARG 64 Ca 0.02 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 1nuq h ARG 64 Cb 1.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1nuq h ARG 64 CO 0.10 0.78 -0.12 0.28 -1.07 0.00 0.00 179.97 179.94 1nuq h VAL 65 N 0.85 1.28 -0.36 2.04 2.07 -0.74 -1.71 116.25 119.68 1nuq h VAL 65 Ca 0.19 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1nuq h VAL 65 Cb 0.28 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1nuq h VAL 65 CO -0.00 0.40 0.19 0.00 0.02 0.00 0.00 177.57 178.18 1nuq h ALA 66 N 0.82 0.46 -0.68 1.67 0.00 -0.92 -0.43 119.26 120.18 1nuq h ALA 66 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1nuq h ALA 66 Cb 0.64 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1nuq h ALA 66 CO 0.04 -0.01 0.29 0.52 0.00 0.00 0.00 179.25 180.09 1nuq h MET 67 N 0.45 1.00 -0.49 0.00 2.07 -0.76 -0.96 114.93 116.24 1nuq h MET 67 Ca 0.13 -0.17 -0.01 0.00 -2.07 0.00 0.00 59.70 57.57 1nuq h MET 67 Cb 0.07 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.60 1nuq h MET 67 CO -0.02 0.81 0.25 0.00 1.07 0.00 0.00 176.91 179.02 1nuq h ALA 68 N 1.13 0.63 -0.35 6.32 0.00 -0.92 0.91 119.26 126.97 1nuq h ALA 68 Ca 0.23 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1nuq h ALA 68 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1nuq h ALA 68 CO -0.02 0.17 0.15 -0.09 0.00 0.00 0.00 179.25 179.46 1nuq h ARG 69 N 0.65 0.31 -0.63 0.00 2.43 -0.73 0.74 114.38 117.14 1nuq h ARG 69 Ca 0.17 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1nuq h ARG 69 Cb 0.09 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1nuq h ARG 69 CO -0.02 0.21 0.20 -0.07 -1.51 0.00 0.00 179.97 178.77 1nuq h LEU 70 N 0.32 0.92 -1.10 3.80 3.38 -0.94 -1.94 115.31 119.75 1nuq h LEU 70 Ca 0.15 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nuq h LEU 70 Cb 0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1nuq h LEU 70 CO -0.13 0.88 0.60 0.00 0.09 0.00 0.00 178.44 179.88 1nuq h ALA 71 N 1.07 1.34 -0.01 1.53 0.00 -0.29 -2.76 119.26 120.15 1nuq h ALA 71 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nuq h ALA 71 Cb 0.29 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nuq h ALA 71 CO -0.01 0.61 -0.02 1.28 0.00 0.00 0.00 179.25 181.11 1nuq n LEU 72 N -4.39 0.60 0.23 0.00 4.77 0.20 -3.92 117.00 114.49 1nuq n LEU 72 Ca 0.10 -0.17 0.10 0.00 -0.03 0.00 0.00 56.01 56.01 1nuq n LEU 72 Cb 0.02 -0.03 0.66 0.00 -2.33 0.00 0.00 43.42 41.74 1nuq n LEU 72 CO 0.37 0.10 1.09 -0.61 -1.33 0.00 0.00 177.39 177.01 1nuq h GLN 73 N 0.92 0.00 -0.62 3.23 5.75 -1.06 -0.75 115.11 122.58 1nuq h GLN 73 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1nuq h GLN 73 Cb 0.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1nuq h GLN 73 CO 0.00 0.00 0.00 0.25 -2.65 0.00 0.00 178.83 176.43 1nuq n THR 74 N -4.48 1.35 -4.50 2.39 -2.24 -1.25 -4.86 114.28 100.68 1nuq n THR 74 Ca -0.02 -0.91 -0.34 0.00 -2.27 0.00 0.00 64.05 60.52 1nuq n THR 74 Cb 0.15 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.84 4.92 0.00 3.42 0.15 -0.29 -5.01 113.70 116.05 1nuq s SER 75 Ca 0.40 0.05 0.20 0.00 0.70 0.00 0.00 55.95 57.31 1nuq s SER 75 Cb 0.25 -1.30 0.56 0.00 -1.71 0.00 0.00 66.02 63.82 1nuq s SER 75 CO 0.21 0.37 1.47 -0.90 1.20 0.00 0.00 173.24 175.58 1nuq n ASP 76 N 2.15 3.72 0.00 5.45 5.68 -1.26 -4.57 116.55 127.72 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 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 1.42 0.00 -4.80 2.11 4.27 -1.26 -5.08 117.44 114.10 1nuq n TRP 77 Ca 0.22 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.50 1nuq n TRP 77 Cb 0.58 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.40 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 3.12 0.13 -1.67 1.01 -1.26 -0.71 121.20 121.81 1nuq s ILE 78 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1nuq s ILE 78 Cb 0.00 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1nuq s ILE 78 CO 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 174.94 175.41 1nuq s ARG 79 N -0.10 0.98 -0.00 2.79 1.70 -0.39 -4.82 118.95 119.10 1nuq s ARG 79 Ca -0.01 -1.41 -0.11 0.00 -0.47 0.00 0.00 55.73 53.73 1nuq s ARG 79 Cb -0.14 -0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 33.74 1nuq s ARG 79 CO 0.04 0.03 0.33 0.54 -1.08 0.00 0.00 175.30 175.16 1nuq s VAL 80 N -3.45 5.18 -0.20 4.99 0.11 -1.26 -0.97 120.40 124.80 1nuq s VAL 80 Ca 0.15 0.53 0.01 0.00 -2.93 0.00 0.00 61.98 59.74 1nuq s VAL 80 Cb 0.04 -3.61 0.04 0.00 -1.53 0.00 0.00 36.38 31.32 1nuq s VAL 80 CO -0.01 0.49 -0.11 -0.62 -3.33 0.00 0.00 175.10 171.52 1nuq s ASP 81 N -1.32 3.37 0.05 3.54 -1.08 0.38 -4.87 116.67 116.75 1nuq s ASP 81 Ca 0.25 -0.87 0.25 0.00 -0.52 0.00 0.00 52.55 51.65 1nuq s ASP 81 Cb -0.15 -1.25 1.00 0.00 -1.46 0.00 0.00 42.92 41.07 1nuq s ASP 81 CO 0.13 -0.14 1.78 -0.81 0.52 0.00 0.00 175.17 176.65 1nuq n PRO 82 N 4.68 0.05 -0.33 4.34 -0.04 -1.26 -4.38 135.00 138.07 1nuq n PRO 82 Ca -0.15 0.12 -0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1nuq n PRO 82 Cb 0.47 -1.57 0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1nuq n PRO 82 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1nuq h TRP 83 N 0.00 -0.88 -0.44 0.54 7.01 -1.95 0.31 115.95 120.55 1nuq h TRP 83 Ca 0.00 0.09 0.05 0.00 2.11 0.00 0.00 58.89 61.14 1nuq h TRP 83 Cb 0.46 0.52 -0.05 0.00 -2.10 0.00 0.00 29.16 27.99 1nuq h TRP 83 CO 0.00 -0.40 0.17 1.49 -2.79 0.00 0.00 178.44 176.91 1nuq h GLU 84 N -0.04 0.33 0.00 2.65 4.81 -1.86 -2.14 114.58 118.33 1nuq h GLU 84 Ca 0.35 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1nuq h GLU 84 Cb 0.61 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1nuq h GLU 84 CO -0.91 0.22 -0.03 0.66 -0.73 0.00 0.00 179.01 178.22 1nuq h SER 85 N 0.34 0.00 0.62 1.04 4.64 -1.06 -2.94 113.55 116.20 1nuq h SER 85 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1nuq h SER 85 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1nuq h SER 85 CO -0.20 0.03 -0.14 -0.62 -0.87 0.00 0.00 176.83 175.03 1nuq n GLU 86 N -3.14 0.29 -1.98 4.77 1.02 -0.28 -4.68 120.64 116.64 1nuq n GLU 86 Ca 0.01 -0.08 -0.33 0.00 -0.02 0.00 0.00 57.16 56.74 1nuq n GLU 86 Cb 0.35 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.77 3.19 0.34 3.49 -1.52 -1.11 -4.93 119.66 116.35 1nuq s GLN 87 Ca 0.20 1.27 0.07 0.00 -1.95 0.00 0.00 55.36 54.95 1nuq s GLN 87 Cb 0.19 -2.01 0.76 0.00 -0.22 0.00 0.00 33.01 31.73 1nuq s GLN 87 CO 0.54 -0.92 1.87 0.00 -0.25 0.00 0.00 175.29 176.53 1nuq h ALA 88 N 0.37 1.76 -2.60 6.09 0.00 -1.90 -3.44 119.26 119.54 1nuq h ALA 88 Ca -0.47 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1nuq h ALA 88 Cb 1.23 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 1nuq h ALA 88 CO 0.57 0.01 -0.46 1.14 0.00 0.00 0.00 179.25 180.51 1nuq s GLN 89 N -5.73 1.17 0.50 0.00 -2.07 -1.26 -4.94 119.66 107.33 1nuq s GLN 89 Ca -0.10 -1.38 -0.20 0.00 -1.82 0.00 0.00 55.36 51.86 1nuq s GLN 89 Cb 0.22 0.33 -0.10 0.00 -1.09 0.00 0.00 33.01 32.36 1nuq s GLN 89 CO 0.79 -0.41 0.56 1.87 -1.32 0.00 0.00 175.29 176.79 1nuq n TRP 90 N -0.23 -0.50 -4.23 9.60 -0.00 -1.26 -4.96 117.44 115.87 1nuq n TRP 90 Ca -0.03 0.51 -0.18 0.00 -0.00 0.00 0.00 57.50 57.79 1nuq n TRP 90 Cb 0.64 -1.99 -0.15 0.00 -0.00 0.00 0.00 31.31 29.81 1nuq n TRP 90 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 1nuq s MET 91 N -1.88 0.69 0.45 5.87 -2.45 -1.26 -5.07 119.30 115.64 1nuq s MET 91 Ca 0.66 -0.19 -0.24 0.00 -1.25 0.00 0.00 55.69 54.67 1nuq s MET 91 Cb -0.51 -0.68 -0.09 0.00 1.25 0.00 0.00 34.83 34.80 1nuq s MET 91 CO 0.56 0.05 1.12 0.39 1.05 0.00 0.00 175.02 178.20 1nuq n GLU 92 N 3.39 1.53 -0.24 4.11 4.71 -1.26 -4.83 120.64 128.05 1nuq n GLU 92 Ca -0.19 0.55 0.02 0.00 -0.01 0.00 0.00 57.16 57.54 1nuq n GLU 92 Cb 0.55 -2.21 0.25 0.00 -1.01 0.00 0.00 31.44 29.02 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 1.62 1.15 -0.68 2.62 2.02 -2.00 -1.00 112.91 116.64 1nuq h THR 93 Ca -0.46 -0.35 0.09 0.00 0.77 0.00 0.00 66.41 66.46 1nuq h THR 93 Cb 1.32 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1nuq h THR 93 CO 0.57 0.18 0.45 1.62 0.37 0.00 0.00 175.52 178.72 1nuq h VAL 94 N 1.01 0.94 -0.10 3.16 3.04 -1.91 -0.69 116.25 121.71 1nuq h VAL 94 Ca 0.31 -0.20 -0.12 0.00 -1.01 0.00 0.00 66.70 65.68 1nuq h VAL 94 Cb 0.00 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 1nuq h VAL 94 CO -0.09 0.11 -0.47 0.11 -1.01 0.00 0.00 177.57 176.22 1nuq h LYS 95 N 0.59 0.24 -0.38 4.17 1.57 -1.53 -0.72 116.57 120.52 1nuq h LYS 95 Ca 0.31 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 1nuq h LYS 95 Cb 0.44 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1nuq h LYS 95 CO -0.10 0.67 -0.34 0.28 -0.57 0.00 0.00 179.45 179.39 1nuq h VAL 96 N 0.20 1.28 -0.35 0.50 2.07 -1.07 -1.55 116.25 117.33 1nuq h VAL 96 Ca 0.01 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1nuq h VAL 96 Cb 0.91 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1nuq h VAL 96 CO 0.07 0.50 0.21 -0.07 0.02 0.00 0.00 177.57 178.30 1nuq h LEU 97 N 0.71 0.42 -0.34 2.57 3.38 -0.97 -1.67 115.31 119.41 1nuq h LEU 97 Ca 0.06 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1nuq h LEU 97 Cb 0.93 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1nuq h LEU 97 CO 0.09 0.35 0.03 0.03 0.09 0.00 0.00 178.44 179.02 1nuq h ARG 98 N 0.45 0.12 0.04 1.13 3.08 -0.97 -0.19 114.38 118.04 1nuq h ARG 98 Ca 0.12 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1nuq h ARG 98 Cb 0.01 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1nuq h ARG 98 CO -0.02 0.08 -0.15 1.25 -1.07 0.00 0.00 179.97 180.06 1nuq h HIS 99 N 0.13 -0.38 0.00 3.04 2.76 -1.03 -1.65 115.15 118.01 1nuq h HIS 99 Ca 0.16 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 1nuq h HIS 99 Cb 0.21 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 1nuq h HIS 99 CO -0.22 -0.22 -0.21 0.45 -1.30 0.00 0.00 177.93 176.43 1nuq h HIS 100 N -0.27 0.00 -0.11 5.26 3.86 -0.95 -1.26 115.15 121.68 1nuq h HIS 100 Ca 0.04 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1nuq h HIS 100 Cb 0.31 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1nuq h HIS 100 CO -0.18 0.21 -0.04 1.25 0.86 0.00 0.00 177.93 180.02 1nuq h HIS 101 N 0.00 0.25 -0.88 2.45 6.17 -0.67 -2.46 115.15 120.01 1nuq h HIS 101 Ca -0.00 -0.06 0.05 0.00 0.71 0.00 0.00 60.37 61.07 1nuq h HIS 101 Cb 0.47 -0.06 -0.06 0.00 2.52 0.00 0.00 27.41 30.28 1nuq h HIS 101 CO 0.00 0.55 0.56 0.77 0.71 0.00 0.00 177.93 180.52 1nuq h SER 102 N -0.12 0.89 -0.76 3.26 0.02 -0.86 -1.41 113.55 114.58 1nuq h SER 102 Ca 0.03 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 1nuq h SER 102 Cb 0.48 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.76 1nuq h SER 102 CO 0.01 0.59 0.39 0.50 -1.14 0.00 0.00 176.83 177.18 1nuq h LYS 103 N 1.04 0.62 -0.11 3.45 3.64 -1.05 -0.36 116.57 123.80 1nuq h LYS 103 Ca 0.37 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1nuq h LYS 103 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1nuq h LYS 103 CO -0.15 0.41 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.15 1nuq h LEU 104 N 0.64 0.18 -9.48 5.20 3.38 -0.80 -3.51 115.31 110.92 1nuq h LEU 104 Ca 0.38 -0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.77 1nuq h LEU 104 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1nuq h LEU 104 CO -0.28 0.41 0.59 -0.76 0.09 0.00 0.00 178.44 178.48 1nuq s LEU 105 N -8.58 4.37 0.00 1.67 1.43 -0.15 -4.98 118.68 112.44 1nuq s LEU 105 Ca -0.05 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1nuq s LEU 105 Cb 0.15 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1nuq s LEU 105 CO 0.74 -0.50 0.00 0.00 0.23 0.00 0.00 176.35 176.82 1nuq n ALA 126 N 4.01 0.00 -2.81 4.21 0.00 -1.26 -5.09 120.51 119.58 1nuq n ALA 126 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 1nuq n ALA 126 Cb 0.46 -0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 1nuq n ALA 126 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nuq s VAL 127 N -0.07 4.05 0.74 0.00 1.01 -1.26 -5.10 120.40 119.76 1nuq s VAL 127 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 1nuq s VAL 127 Cb 0.00 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.68 1nuq s VAL 127 CO 0.00 0.54 1.24 -2.16 0.00 0.00 0.00 175.10 174.72 1nuq s PRO 128 N -0.18 2.04 -0.03 2.72 0.04 -1.26 -4.92 135.00 133.42 1nuq s PRO 128 Ca 0.04 1.87 -0.20 0.00 0.04 0.00 0.00 61.00 62.75 1nuq s PRO 128 Cb -0.13 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1nuq s PRO 128 CO 0.02 -1.94 0.57 -1.21 0.04 0.00 0.00 177.00 174.48 1nuq s GLU 129 N -3.83 4.30 -0.24 4.56 2.02 -0.13 -4.92 118.70 120.46 1nuq s GLU 129 Ca 0.77 0.67 -0.10 0.00 0.02 0.00 0.00 54.97 56.33 1nuq s GLU 129 Cb -0.32 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 1nuq s GLU 129 CO 0.46 0.34 0.13 -1.17 0.02 0.00 0.00 175.26 175.05 1nuq s LEU 130 N -0.07 3.92 0.04 1.80 2.96 -1.26 -1.23 118.68 124.83 1nuq s LEU 130 Ca 0.30 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 54.31 1nuq s LEU 130 Cb -0.18 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1nuq s LEU 130 CO 0.16 0.04 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.45 1nuq s LYS 131 N 1.21 1.65 -0.02 1.98 1.02 -0.44 -4.23 119.74 120.91 1nuq s LYS 131 Ca 0.06 -1.01 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 1nuq s LYS 131 Cb -0.14 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1nuq s LYS 131 CO 0.05 0.46 1.07 -1.17 -0.92 0.00 0.00 175.35 174.84 1nuq s LEU 132 N -1.13 4.33 -0.19 3.17 2.96 -0.05 -0.75 118.68 127.01 1nuq s LEU 132 Ca 0.10 1.74 -0.07 0.00 -0.22 0.00 0.00 54.13 55.68 1nuq s LEU 132 Cb -0.09 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1nuq s LEU 132 CO 0.02 -0.40 0.05 -0.22 -1.32 0.00 0.00 176.35 174.47 1nuq s LEU 133 N 1.43 3.63 0.27 -0.68 2.96 0.14 -0.72 118.68 125.71 1nuq s LEU 133 Ca 0.53 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 54.27 1nuq s LEU 133 Cb -0.23 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.55 1nuq s LEU 133 CO 0.25 0.13 0.59 0.00 -1.32 0.00 0.00 176.35 176.00 1nuq s GLY 135 N -2.99 1.58 0.55 0.00 0.00 -1.26 -0.77 107.32 104.43 1nuq s GLY 135 Ca 0.18 -0.51 0.23 0.00 0.00 0.00 0.00 44.72 44.62 1nuq s GLY 135 CO 0.09 -0.25 2.19 0.00 0.00 0.00 0.00 173.10 175.12 1nuq h ALA 136 N -0.14 1.81 -0.78 3.20 0.00 -1.33 -2.13 119.26 119.89 1nuq h ALA 136 Ca -0.46 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1nuq h ALA 136 Cb 1.23 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1nuq h ALA 136 CO 0.62 -0.04 0.51 0.38 0.00 0.00 0.00 179.25 180.71 1nuq h ASP 137 N 0.00 0.87 -0.39 0.00 2.03 -1.93 -1.40 116.42 115.61 1nuq h ASP 137 Ca 0.01 -0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1nuq h ASP 137 Cb 0.07 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.34 1nuq h ASP 137 CO -0.00 0.62 0.23 0.58 -1.03 0.00 0.00 179.24 179.64 1nuq h VAL 138 N 1.03 1.13 -0.55 4.15 2.07 -1.77 0.93 116.25 123.24 1nuq h VAL 138 Ca 0.29 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1nuq h VAL 138 Cb -0.08 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1nuq h VAL 138 CO -0.08 0.14 0.16 0.25 0.02 0.00 0.00 177.57 178.06 1nuq h LEU 139 N 0.57 0.76 -1.02 2.57 5.85 -1.29 -1.53 115.31 121.22 1nuq h LEU 139 Ca 0.15 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1nuq h LEU 139 Cb 0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1nuq h LEU 139 CO -0.03 0.73 -0.35 0.50 -0.34 0.00 0.00 178.44 178.95 1nuq h LYS 140 N 0.80 0.25 0.00 1.25 3.64 -0.32 -2.79 116.57 119.40 1nuq h LYS 140 Ca 0.18 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1nuq h LYS 140 Cb 0.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1nuq h LYS 140 CO -0.01 0.58 0.00 1.79 -2.27 0.00 0.00 179.45 179.54 1nuq h THR 141 N 0.21 0.00 0.00 1.00 1.35 -0.35 -1.76 112.91 113.36 1nuq h THR 141 Ca 0.03 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1nuq h THR 141 Cb 0.73 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1nuq h THR 141 CO 0.06 0.00 -0.02 -0.26 -0.25 0.00 0.00 175.52 175.04 1nuq h PHE 142 N 0.00 0.00 0.00 4.73 0.04 -1.38 -1.56 116.94 118.77 1nuq h PHE 142 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1nuq h PHE 142 Cb 0.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 1nuq h PHE 142 CO 0.00 0.02 -0.05 1.96 -0.60 0.00 0.00 178.31 179.64 1nuq h GLN 143 N 0.00 0.00 -6.47 1.51 4.20 -1.50 -3.44 115.11 109.40 1nuq h GLN 143 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1nuq h GLN 143 Cb 0.06 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.87 1nuq h GLN 143 CO 0.00 0.05 1.09 0.99 -0.67 0.00 0.00 178.83 180.29 1nuq s THR 144 N -3.33 2.74 0.25 -0.54 2.01 -0.59 -4.93 115.64 111.26 1nuq s THR 144 Ca 0.05 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 1nuq s THR 144 Cb 0.06 -3.12 -0.12 0.00 0.01 0.00 0.00 72.50 69.33 1nuq s THR 144 CO 0.64 -0.00 1.56 -0.81 -0.69 0.00 0.00 174.62 175.32 1nuq n PRO 145 N 5.85 2.45 -1.86 4.92 -0.04 -1.26 -2.45 135.00 142.61 1nuq n PRO 145 Ca 0.17 0.87 -0.19 0.00 -0.04 0.00 0.00 63.50 64.32 1nuq n PRO 145 Cb 0.39 -2.63 -0.05 0.00 -0.04 0.00 0.00 33.50 31.17 1nuq n PRO 145 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1nuq n ASN 146 N 2.57 -5.39 -0.04 3.54 3.02 -1.26 -4.89 115.26 112.80 1nuq n ASN 146 Ca 0.12 0.29 -0.05 0.00 -0.03 0.00 0.00 54.58 54.91 1nuq n ASN 146 Cb 0.34 -4.52 -0.02 0.00 -0.61 0.00 0.00 39.78 34.97 1nuq n ASN 146 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1nuq n LEU 147 N -2.40 0.99 -4.71 3.41 7.94 -1.03 -4.98 117.00 116.23 1nuq n LEU 147 Ca -0.21 0.17 -0.35 0.00 -1.11 0.00 0.00 56.01 54.51 1nuq n LEU 147 Cb 0.65 -0.61 -0.09 0.00 0.53 0.00 0.00 43.42 43.90 1nuq n LEU 147 CO 0.28 -0.39 -0.27 0.26 -1.11 0.00 0.00 177.39 176.17 1nuq s TRP 148 N -1.97 3.27 0.13 1.96 0.52 -1.26 -5.08 118.94 116.51 1nuq s TRP 148 Ca -0.15 0.22 -0.30 0.00 0.02 0.00 0.00 56.10 55.89 1nuq s TRP 148 Cb 0.02 -1.89 -0.07 0.00 -1.15 0.00 0.00 33.47 30.38 1nuq s TRP 148 CO 0.22 0.44 1.10 0.15 0.02 0.00 0.00 176.95 178.87 1nuq s LYS 149 N -0.58 4.56 0.39 4.98 1.02 -1.26 -4.92 119.74 123.93 1nuq s LYS 149 Ca 0.10 1.68 0.10 0.00 0.02 0.00 0.00 55.97 57.88 1nuq s LYS 149 Cb -0.12 -3.32 0.90 0.00 -0.52 0.00 0.00 37.83 34.77 1nuq s LYS 149 CO 0.02 -0.01 1.94 -0.44 -0.92 0.00 0.00 175.35 175.95 1nuq h ASP 150 N 5.73 0.52 0.23 2.83 3.32 -1.98 0.71 116.42 127.79 1nuq h ASP 150 Ca -0.43 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 1nuq h ASP 150 Cb 1.21 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1nuq h ASP 150 CO 0.75 0.31 -0.33 0.00 -1.72 0.00 0.00 179.24 178.24 1nuq h ALA 151 N 1.64 1.29 -0.14 3.45 0.00 -1.99 -1.60 119.26 121.92 1nuq h ALA 151 Ca 0.33 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1nuq h ALA 151 Cb 0.52 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1nuq h ALA 151 CO -0.11 0.50 -0.54 0.45 0.00 0.00 0.00 179.25 179.54 1nuq h HIS 152 N 0.14 0.81 -0.89 0.00 3.86 -1.29 -1.41 115.15 116.37 1nuq h HIS 152 Ca 0.02 -0.34 0.04 0.00 -1.16 0.00 0.00 60.37 58.92 1nuq h HIS 152 Cb 0.66 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.95 1nuq h HIS 152 CO 0.01 1.13 0.57 0.82 0.86 0.00 0.00 177.93 181.32 1nuq h ILE 153 N 0.26 1.13 -0.19 2.45 2.04 -1.06 0.13 117.51 122.26 1nuq h ILE 153 Ca -0.03 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1nuq h ILE 153 Cb 1.18 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1nuq h ILE 153 CO 0.11 0.20 0.09 -0.61 0.00 0.00 0.00 178.15 177.95 1nuq h GLN 154 N 1.10 0.28 -0.41 2.37 4.15 -1.18 -1.67 115.11 119.75 1nuq h GLN 154 Ca 0.36 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.65 1nuq h GLN 154 Cb 0.04 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1nuq h GLN 154 CO -0.13 0.30 -0.11 1.49 -1.93 0.00 0.00 178.83 178.46 1nuq h GLU 155 N 0.18 0.73 0.19 1.69 4.81 -0.72 -0.63 114.58 120.83 1nuq h GLU 155 Ca 0.07 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1nuq h GLU 155 Cb 0.12 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1nuq h GLU 155 CO -0.01 0.81 -0.09 0.82 -0.73 0.00 0.00 179.01 179.81 1nuq h ILE 156 N 0.66 0.82 -0.01 2.32 2.04 -0.50 -0.25 117.51 122.59 1nuq h ILE 156 Ca 0.11 -0.02 -0.16 0.00 1.00 0.00 0.00 64.86 65.79 1nuq h ILE 156 Cb 0.57 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1nuq h ILE 156 CO 0.04 0.00 -0.76 -0.37 0.00 0.00 0.00 178.15 177.06 1nuq h VAL 157 N -0.27 1.51 0.00 1.67 -1.51 -1.21 0.13 116.25 116.57 1nuq h VAL 157 Ca -0.03 -2.49 -0.05 0.00 -1.23 0.00 0.00 66.70 62.91 1nuq h VAL 157 Cb 0.20 2.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1nuq h VAL 157 CO 0.04 0.72 -0.27 -0.08 -1.23 0.00 0.00 177.57 176.75 1nuq h GLU 158 N 0.05 0.00 0.00 5.19 4.81 -1.06 -3.30 114.58 120.26 1nuq h GLU 158 Ca -0.02 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1nuq h GLU 158 Cb 1.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1nuq h GLU 158 CO 0.10 0.86 -0.66 0.87 -0.73 0.00 0.00 179.01 179.45 1nuq h LYS 159 N -1.00 0.00 0.00 1.92 1.79 -1.21 -3.43 116.57 114.65 1nuq h LYS 159 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1nuq h LYS 159 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1nuq h LYS 159 CO -0.04 0.09 -0.13 1.19 -1.08 0.00 0.00 179.45 179.48 1nuq n PHE 160 N -2.91 0.00 0.00 -1.35 3.72 -1.09 -4.91 117.46 110.92 1nuq n PHE 160 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1nuq n PHE 160 Cb 0.60 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 3.06 3.29 3.03 1.37 0.00 0.45 -4.37 105.19 112.03 1nuq n GLY 161 Ca -0.02 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.87 1nuq n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nuq s LEU 162 N 0.00 1.80 -0.20 0.99 1.43 -0.44 -0.87 118.68 121.39 1nuq s LEU 162 Ca 0.00 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1nuq s LEU 162 Cb 0.00 -0.64 0.04 0.00 0.03 0.00 0.00 46.19 45.61 1nuq s LEU 162 CO 0.00 0.08 -0.14 -0.69 0.23 0.00 0.00 176.35 175.83 1nuq s VAL 163 N 0.18 1.87 -0.15 -1.59 1.01 0.11 -0.33 120.40 121.49 1nuq s VAL 163 Ca -0.04 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 1nuq s VAL 163 Cb -0.09 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1nuq s VAL 163 CO 0.01 0.28 -0.09 0.00 0.00 0.00 0.00 175.10 175.30 1nuq s VAL 165 N 0.46 5.42 0.79 0.00 1.01 0.05 -0.74 120.40 127.38 1nuq s VAL 165 Ca -0.07 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 1nuq s VAL 165 Cb -0.15 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.83 1nuq s VAL 165 CO 0.04 0.49 1.20 0.61 0.00 0.00 0.00 175.10 177.44 1nuq n GLY 166 N 3.02 0.02 3.17 4.51 0.00 -0.54 -0.95 105.19 114.42 1nuq n GLY 166 Ca -0.17 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.02 0.38 0.23 1.61 0.52 -1.26 -4.72 118.95 111.69 1nuq s ARG 167 Ca 0.74 0.28 -0.31 0.00 -0.52 0.00 0.00 55.73 55.92 1nuq s ARG 167 Cb -0.30 0.18 -0.14 0.00 0.52 0.00 0.00 34.95 35.21 1nuq s ARG 167 CO 0.50 -0.06 1.34 0.28 0.02 0.00 0.00 175.30 177.37 1nuq n VAL 168 N 2.65 1.00 -0.76 3.52 0.31 -1.26 -1.88 118.33 121.90 1nuq n VAL 168 Ca -0.14 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1nuq n VAL 168 Cb 0.58 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1nuq n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nuq n SER 169 N 2.05 0.00 -4.52 4.52 7.64 -1.26 -5.04 113.62 117.01 1nuq n SER 169 Ca 0.12 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.70 1nuq n SER 169 Cb 0.30 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.39 1nuq n SER 169 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nuq s HIS 170 N -3.53 2.65 -0.59 1.43 4.02 -0.79 -5.08 115.29 113.39 1nuq s HIS 170 Ca 0.00 -0.20 0.05 0.00 1.02 0.00 0.00 55.06 55.93 1nuq s HIS 170 Cb 0.00 -1.44 0.18 0.00 -1.02 0.00 0.00 32.58 30.30 1nuq s HIS 170 CO 0.00 0.36 0.46 -3.47 1.02 0.00 0.00 174.74 173.11 1nuq n ASP 171 N 1.08 1.80 -0.29 1.40 2.03 -1.26 -4.77 116.55 116.53 1nuq n ASP 171 Ca -0.15 -2.93 0.11 0.00 0.52 0.00 0.00 54.79 52.35 1nuq n ASP 171 Cb 0.52 -0.68 0.27 0.00 -0.72 0.00 0.00 41.12 40.51 1nuq n ASP 171 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1nuq h PRO 172 N 5.34 0.26 -0.81 -0.67 0.11 -1.96 -0.06 132.00 134.21 1nuq h PRO 172 Ca 0.19 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.33 1nuq h PRO 172 Cb 0.80 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.80 1nuq h PRO 172 CO 0.60 0.17 0.50 0.87 -0.21 0.00 0.00 178.00 179.94 1nuq h LYS 173 N 0.27 0.92 -0.36 1.05 1.57 -2.00 -1.44 116.57 116.58 1nuq h LYS 173 Ca 0.52 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 59.09 1nuq h LYS 173 Cb 1.01 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1nuq h LYS 173 CO -0.59 0.61 -0.39 0.78 -0.57 0.00 0.00 179.45 179.28 1nuq h GLY 174 N 0.95 0.97 0.65 3.86 0.00 -1.48 -1.88 103.07 106.14 1nuq h GLY 174 Ca 0.34 -0.99 0.06 0.00 0.00 0.00 0.00 47.33 46.74 1nuq h GLY 174 CO -0.15 0.90 0.34 -0.97 0.00 0.00 0.00 176.54 176.65 1nuq h TYR 175 N 0.72 0.62 -0.14 5.60 0.05 -0.73 -0.70 116.97 122.39 1nuq h TYR 175 Ca 0.06 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 1nuq h TYR 175 Cb 0.98 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 1nuq h TYR 175 CO 0.06 0.28 0.02 0.82 -1.05 0.00 0.00 178.16 178.29 1nuq h ILE 176 N 0.62 1.22 -0.21 -2.88 2.04 -1.21 -2.63 117.51 114.46 1nuq h ILE 176 Ca 0.29 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1nuq h ILE 176 Cb 0.20 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1nuq h ILE 176 CO -0.19 0.21 0.07 0.00 0.00 0.00 0.00 178.15 178.24 1nuq h ALA 177 N 0.80 1.74 -0.00 1.87 0.00 -0.93 -2.69 119.26 120.05 1nuq h ALA 177 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nuq h ALA 177 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nuq h ALA 177 CO 0.00 0.21 -0.17 0.39 0.00 0.00 0.00 179.25 179.68 1nuq n GLU 178 N -4.44 0.71 -3.83 0.00 1.02 -0.31 -4.74 120.64 109.05 1nuq n GLU 178 Ca 0.00 -0.32 -0.36 0.00 -0.02 0.00 0.00 57.16 56.46 1nuq n GLU 178 Cb 0.13 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.92 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 -2.51 4.75 0.25 1.62 0.15 -1.00 -4.99 113.70 111.96 1nuq s SER 179 Ca 0.26 -0.52 -0.05 0.00 0.70 0.00 0.00 55.95 56.34 1nuq s SER 179 Cb 0.20 -1.82 0.37 0.00 -1.71 0.00 0.00 66.02 63.06 1nuq s SER 179 CO 0.50 -0.10 1.84 -0.65 1.20 0.00 0.00 173.24 176.03 1nuq h PRO 180 N 8.17 0.89 -0.04 5.44 0.11 -1.85 0.61 132.00 145.33 1nuq h PRO 180 Ca -0.36 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1nuq h PRO 180 Cb 1.14 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1nuq h PRO 180 CO 0.59 0.59 0.02 0.82 -0.21 0.00 0.00 178.00 179.82 1nuq h ILE 181 N 0.92 1.08 -0.59 4.15 2.04 -1.94 -1.30 117.51 121.87 1nuq h ILE 181 Ca 0.39 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 1nuq h ILE 181 Cb 0.25 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1nuq h ILE 181 CO -0.20 0.07 0.22 -0.07 0.00 0.00 0.00 178.15 178.16 1nuq h LEU 182 N -0.03 0.83 -0.65 1.44 3.38 -1.75 -2.66 115.31 115.88 1nuq h LEU 182 Ca 0.01 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1nuq h LEU 182 Cb 0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1nuq h LEU 182 CO -0.00 0.79 0.42 -0.09 0.09 0.00 0.00 178.44 179.65 1nuq h ARG 183 N 0.82 0.82 -0.22 1.13 2.43 -0.71 -0.23 114.38 118.42 1nuq h ARG 183 Ca 0.19 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1nuq h ARG 183 Cb 0.23 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1nuq h ARG 183 CO -0.01 0.54 -0.06 1.98 -1.51 0.00 0.00 179.97 180.90 1nuq h MET 184 N 0.84 0.34 -0.33 0.20 4.05 -1.04 -2.93 114.93 116.06 1nuq h MET 184 Ca 0.25 -0.07 -0.15 0.00 -0.28 0.00 0.00 59.70 59.44 1nuq h MET 184 Cb -0.05 -0.05 -0.09 0.00 -0.80 0.00 0.00 31.60 30.60 1nuq h MET 184 CO -0.07 0.42 -0.09 0.72 0.23 0.00 0.00 176.91 178.12 1nuq n HIS 185 N -4.30 1.02 0.27 1.39 8.25 -0.95 -4.78 115.22 116.12 1nuq n HIS 185 Ca 0.00 -1.52 0.15 0.00 -0.26 0.00 0.00 57.72 56.09 1nuq n HIS 185 Cb 0.24 -0.46 0.88 0.00 1.12 0.00 0.00 29.99 31.78 1nuq n HIS 185 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1nuq h GLN 186 N 1.05 0.00 0.00 -0.41 3.07 -0.86 -0.46 115.11 117.51 1nuq h GLN 186 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.92 1nuq h GLN 186 Cb 1.61 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.17 1nuq h GLN 186 CO 0.35 0.00 -0.04 1.12 0.09 0.00 0.00 178.83 180.36 1nuq h HIS 187 N 0.00 0.00 -0.64 0.06 2.07 -1.87 -0.89 115.15 113.88 1nuq h HIS 187 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1nuq h HIS 187 Cb 0.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.12 1nuq h HIS 187 CO 0.00 0.04 0.00 0.09 -3.07 0.00 0.00 177.93 174.99 1nuq n ASN 188 N -3.30 3.47 -4.24 3.10 5.03 -0.18 -4.81 115.26 114.32 1nuq n ASN 188 Ca -0.02 -2.02 -0.33 0.00 0.87 0.00 0.00 54.58 53.08 1nuq n ASN 188 Cb 0.18 -0.43 -0.15 0.00 -1.02 0.00 0.00 39.78 38.36 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 -1.17 2.63 -0.27 2.41 1.01 -0.34 -1.33 121.20 124.13 1nuq s ILE 189 Ca 0.43 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 1nuq s ILE 189 Cb 0.23 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1nuq s ILE 189 CO 0.29 0.51 0.00 -1.00 0.00 0.00 0.00 174.94 174.74 1nuq s HIS 190 N 1.00 3.13 -0.41 3.97 3.76 0.55 -4.97 115.29 122.31 1nuq s HIS 190 Ca -0.02 -1.39 -0.20 0.00 -0.15 0.00 0.00 55.06 53.30 1nuq s HIS 190 Cb -0.15 -2.14 0.02 0.00 1.11 0.00 0.00 32.58 31.42 1nuq s HIS 190 CO -0.03 -0.69 0.62 -0.51 -0.85 0.00 0.00 174.74 173.29 1nuq s LEU 191 N 1.38 4.44 -0.17 0.89 1.43 -1.26 -0.81 118.68 124.58 1nuq s LEU 191 Ca 0.00 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1nuq s LEU 191 Cb -0.17 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 1nuq s LEU 191 CO -0.01 -0.71 0.08 0.00 0.23 0.00 0.00 176.35 175.94 1nuq s ALA 192 N 2.73 3.53 -0.07 4.21 0.00 0.08 -4.98 121.76 127.26 1nuq s ALA 192 Ca 0.22 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1nuq s ALA 192 Cb -0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1nuq s ALA 192 CO 0.17 0.29 -0.20 0.21 0.00 0.00 0.00 175.76 176.23 1nuq s LYS 193 N 0.02 2.73 -0.30 0.00 2.20 -1.26 -1.46 119.74 121.67 1nuq s LYS 193 Ca 0.07 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.83 1nuq s LYS 193 Cb -0.12 -2.31 0.04 0.00 -1.51 0.00 0.00 37.83 33.93 1nuq s LYS 193 CO 0.00 0.39 0.02 -2.00 -0.36 0.00 0.00 175.35 173.40 1nuq s GLU 194 N -0.15 2.63 0.00 4.03 2.12 -1.26 -4.98 118.70 121.09 1nuq s GLU 194 Ca -0.03 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1nuq s GLU 194 Cb -0.14 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1nuq s GLU 194 CO 0.04 -0.56 0.03 -2.30 -0.54 0.00 0.00 175.26 171.93 1nuq n PRO 195 N 4.70 0.03 -4.02 4.30 -0.02 -1.26 -4.71 135.00 134.03 1nuq n PRO 195 Ca -0.14 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.07 1nuq n PRO 195 Cb 0.45 -1.00 -0.05 0.00 -0.02 0.00 0.00 33.50 32.88 1nuq n PRO 195 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nuq s VAL 196 N -1.98 4.84 -0.40 -1.45 1.01 -1.26 -5.08 120.40 116.08 1nuq s VAL 196 Ca 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1nuq s VAL 196 Cb 0.00 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.97 1nuq s VAL 196 CO 0.00 -0.06 0.25 -1.58 0.00 0.00 0.00 175.10 173.72 1nuq s GLN 197 N -3.01 2.81 -0.49 2.72 0.74 -1.26 -4.95 119.66 116.21 1nuq s GLN 197 Ca 0.32 -1.19 0.08 0.00 0.05 0.00 0.00 55.36 54.61 1nuq s GLN 197 Cb -0.11 -3.82 0.27 0.00 1.10 0.00 0.00 33.01 30.45 1nuq s GLN 197 CO 0.25 -0.80 0.67 -1.71 -0.55 0.00 0.00 175.29 173.14 1nuq n ASN 198 N 5.02 1.86 -4.25 6.67 5.15 -1.26 -4.99 115.26 123.47 1nuq n ASN 198 Ca -0.11 -3.08 -0.42 0.00 -0.60 0.00 0.00 54.58 50.36 1nuq n ASN 198 Cb 0.45 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 39.03 1nuq n ASN 198 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1nuq s GLU 199 N -2.01 3.60 -0.26 1.20 0.41 -1.26 -4.97 118.70 115.41 1nuq s GLU 199 Ca 0.39 -2.96 0.01 0.00 -0.41 0.00 0.00 54.97 52.00 1nuq s GLU 199 Cb 0.20 -4.26 0.05 0.00 -1.78 0.00 0.00 34.13 28.33 1nuq s GLU 199 CO -0.08 -1.25 -0.08 0.42 -0.49 0.00 0.00 175.26 173.78 1nuq s ILE 200 N -0.77 2.50 0.20 -1.63 1.01 -1.26 -5.11 121.20 116.14 1nuq s ILE 200 Ca 0.25 -1.41 -0.19 0.00 0.00 0.00 0.00 60.65 59.30 1nuq s ILE 200 Cb -0.11 -2.39 -0.08 0.00 0.01 0.00 0.00 42.46 39.89 1nuq s ILE 200 CO -0.09 0.04 0.68 -0.94 0.00 0.00 0.00 174.94 174.63 1nuq s SER 201 N 1.20 7.01 0.44 3.58 1.04 -1.26 -4.93 113.70 120.78 1nuq s SER 201 Ca -0.05 1.34 0.19 0.00 0.48 0.00 0.00 55.95 57.91 1nuq s SER 201 Cb -0.19 -2.39 1.02 0.00 0.10 0.00 0.00 66.02 64.57 1nuq s SER 201 CO -0.05 0.06 1.93 0.00 0.98 0.00 0.00 173.24 176.16 1nuq h ALA 202 N 3.51 1.35 -0.36 5.32 0.00 -1.92 -1.81 119.26 125.33 1nuq h ALA 202 Ca -0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1nuq h ALA 202 Cb 1.19 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1nuq h ALA 202 CO 0.65 0.31 0.18 1.15 0.00 0.00 0.00 179.25 181.55 1nuq h THR 203 N 0.00 1.16 -0.49 0.00 2.02 -1.92 0.49 112.91 114.16 1nuq h THR 203 Ca -0.00 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1nuq h THR 203 Cb 0.52 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1nuq h THR 203 CO 0.03 0.17 0.26 0.22 0.37 0.00 0.00 175.52 176.57 1nuq h TYR 204 N 0.45 0.68 -0.26 3.16 3.20 -1.80 -1.74 116.97 120.66 1nuq h TYR 204 Ca 0.13 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1nuq h TYR 204 Cb 0.10 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.08 1nuq h TYR 204 CO -0.02 0.51 -0.20 0.82 -1.64 0.00 0.00 178.16 177.63 1nuq h ILE 205 N 0.65 0.45 -0.66 1.81 1.08 -0.78 0.12 117.51 120.18 1nuq h ILE 205 Ca 0.17 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.66 1nuq h ILE 205 Cb 0.06 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 1nuq h ILE 205 CO -0.03 0.00 0.42 0.03 -0.69 0.00 0.00 178.15 177.88 1nuq h ARG 206 N -0.19 0.81 -0.46 2.37 3.08 -0.73 -1.07 114.38 118.18 1nuq h ARG 206 Ca 0.14 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1nuq h ARG 206 Cb 0.42 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1nuq h ARG 206 CO -0.38 0.53 0.03 -0.09 -1.07 0.00 0.00 179.97 179.00 1nuq h ARG 207 N 0.83 0.79 -0.30 0.04 2.43 -0.69 -0.35 114.38 117.12 1nuq h ARG 207 Ca 0.26 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1nuq h ARG 207 Cb -0.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1nuq h ARG 207 CO -0.09 0.83 0.18 0.00 -1.51 0.00 0.00 179.97 179.38 1nuq h ALA 208 N 0.93 0.38 -0.96 2.80 0.00 -0.59 -1.32 119.26 120.50 1nuq h ALA 208 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nuq h ALA 208 Cb 0.45 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1nuq h ALA 208 CO 0.02 -0.11 0.62 -0.07 0.00 0.00 0.00 179.25 179.71 1nuq h LEU 209 N 0.38 1.11 -1.86 0.00 3.38 -0.96 -0.51 115.31 116.87 1nuq h LEU 209 Ca 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1nuq h LEU 209 Cb 0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1nuq h LEU 209 CO -0.02 0.82 -0.13 1.23 0.09 0.00 0.00 178.44 180.43 1nuq h GLY 210 N 1.31 0.00 -1.56 0.83 0.00 -0.58 -1.94 103.07 101.13 1nuq h GLY 210 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1nuq h GLY 210 CO -0.07 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.41 1nuq n GLN 211 N -3.62 2.09 -1.08 4.80 6.02 -0.43 -4.17 117.38 120.99 1nuq n GLN 211 Ca -0.02 -1.66 -0.03 0.00 -0.01 0.00 0.00 57.00 55.29 1nuq n GLN 211 Cb 0.25 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 30.06 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 1.30 0.59 3.92 1.08 0.00 -0.73 -5.03 105.19 106.32 1nuq n GLY 212 Ca 0.17 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.55 3.41 0.37 1.61 -0.21 -0.33 -5.01 119.66 117.95 1nuq s GLN 213 Ca 0.00 0.01 -0.24 0.00 0.02 0.00 0.00 55.36 55.15 1nuq s GLN 213 Cb 0.00 -2.43 -0.10 0.00 1.00 0.00 0.00 33.01 31.48 1nuq s GLN 213 CO 0.00 -0.21 0.96 0.45 -2.12 0.00 0.00 175.29 174.37 1nuq s SER 214 N -4.13 7.13 -0.06 5.90 0.15 -1.26 -4.29 113.70 117.14 1nuq s SER 214 Ca 0.47 1.82 0.08 0.00 0.70 0.00 0.00 55.95 59.02 1nuq s SER 214 Cb -0.10 -2.57 0.13 0.00 -1.71 0.00 0.00 66.02 61.77 1nuq s SER 214 CO 0.43 -0.22 1.02 1.33 1.20 0.00 0.00 173.24 177.00 1nuq n VAL 215 N 0.09 0.93 -1.89 4.45 0.24 -1.26 -4.93 118.33 115.96 1nuq n VAL 215 Ca 0.04 -1.10 -0.39 0.00 -2.04 0.00 0.00 64.34 60.85 1nuq n VAL 215 Cb 0.51 0.22 0.01 0.00 -1.47 0.00 0.00 33.84 33.11 1nuq n VAL 215 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1nuq s LYS 216 N -1.37 3.68 0.00 7.34 2.20 -1.26 -1.45 119.74 128.88 1nuq s LYS 216 Ca 0.14 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 1nuq s LYS 216 Cb 0.12 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 1nuq s LYS 216 CO 0.01 -0.77 0.00 0.66 -0.36 0.00 0.00 175.35 174.89 1nuq n TYR 217 N -0.26 0.00 -0.08 4.03 4.01 -1.26 -4.77 117.16 118.84 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 0.43 -0.44 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 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 0.89 -4.20 7.72 4.77 -0.53 -4.99 117.00 120.65 1nuq n LEU 218 Ca 0.00 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 1nuq n LEU 218 Cb 0.01 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1nuq n LEU 218 CO 0.00 0.49 -0.41 0.27 -1.33 0.00 0.00 177.39 176.41 1nuq s ILE 219 N -2.35 1.01 0.42 -0.08 -4.36 -1.14 -1.18 121.20 113.52 1nuq s ILE 219 Ca -0.12 -1.80 -0.25 0.00 -0.26 0.00 0.00 60.65 58.21 1nuq s ILE 219 Cb 0.05 -1.55 -0.10 0.00 1.25 0.00 0.00 42.46 42.11 1nuq s ILE 219 CO 0.54 -0.64 1.27 -2.65 0.24 0.00 0.00 174.94 173.70 1nuq n PRO 220 N 0.26 1.91 -0.34 0.37 -0.02 -1.26 -4.79 135.00 131.14 1nuq n PRO 220 Ca -0.14 0.68 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 1nuq n PRO 220 Cb 0.59 -2.38 0.33 0.00 -0.02 0.00 0.00 33.50 32.02 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 2.07 0.77 -0.00 2.55 3.32 -1.98 -0.20 116.42 122.94 1nuq h ASP 221 Ca -0.48 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 1nuq h ASP 221 Cb 1.30 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1nuq h ASP 221 CO 0.60 0.31 -0.12 0.00 -1.72 0.00 0.00 179.24 178.31 1nuq h ALA 222 N 1.61 1.49 -0.18 3.45 0.00 -1.90 -1.59 119.26 122.14 1nuq h ALA 222 Ca 0.54 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1nuq h ALA 222 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nuq h ALA 222 CO -0.32 0.36 -0.37 0.28 0.00 0.00 0.00 179.25 179.20 1nuq h VAL 223 N 0.25 1.34 -0.98 0.00 2.07 -1.36 -2.36 116.25 115.22 1nuq h VAL 223 Ca 0.05 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 65.98 1nuq h VAL 223 Cb 0.37 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1nuq h VAL 223 CO 0.02 0.49 0.65 0.40 0.02 0.00 0.00 177.57 179.15 1nuq h ILE 224 N 0.23 1.22 -0.25 4.57 2.04 -1.03 -0.25 117.51 124.04 1nuq h ILE 224 Ca 0.00 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1nuq h ILE 224 Cb 0.97 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1nuq h ILE 224 CO 0.08 0.24 0.11 0.74 0.00 0.00 0.00 178.15 179.32 1nuq h THR 225 N 1.29 1.15 -0.54 -0.27 2.02 -1.24 -1.07 112.91 114.25 1nuq h THR 225 Ca 0.37 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1nuq h THR 225 Cb -0.09 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1nuq h THR 225 CO -0.10 0.15 0.34 0.22 0.37 0.00 0.00 175.52 176.50 1nuq h TYR 226 N 0.27 0.71 -0.42 3.16 3.20 -0.86 0.62 116.97 123.64 1nuq h TYR 226 Ca 0.08 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1nuq h TYR 226 Cb 0.13 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1nuq h TYR 226 CO -0.02 0.48 0.22 0.82 -1.64 0.00 0.00 178.16 178.02 1nuq h ILE 227 N 0.73 0.99 -0.23 1.81 2.04 -0.82 -0.92 117.51 121.11 1nuq h ILE 227 Ca 0.20 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1nuq h ILE 227 Cb -0.03 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1nuq h ILE 227 CO -0.04 0.08 0.01 0.50 0.00 0.00 0.00 178.15 178.70 1nuq h LYS 228 N 0.44 0.40 0.00 2.37 3.64 -0.90 -0.71 116.57 121.80 1nuq h LYS 228 Ca 0.17 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1nuq h LYS 228 Cb 0.07 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1nuq h LYS 228 CO -0.11 0.57 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.10 1nuq h ASP 229 N 0.18 0.00 -0.24 4.20 3.32 -0.56 -2.79 116.42 120.53 1nuq h ASP 229 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1nuq h ASP 229 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1nuq h ASP 229 CO 0.01 0.10 0.00 1.41 -1.72 0.00 0.00 179.24 179.04 1nuq n HIS 230 N -4.08 0.44 -3.85 4.55 8.25 -0.38 -5.00 115.22 115.15 1nuq n HIS 230 Ca -0.03 -0.61 -0.25 0.00 -0.26 0.00 0.00 57.72 56.57 1nuq n HIS 230 Cb 0.18 -0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.04 -0.31 3.90 -1.41 0.00 -0.60 -4.97 105.19 101.78 1nuq n GLY 231 Ca 0.12 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.91 3.82 -1.46 0.99 1.43 -0.37 -4.29 118.68 111.89 1nuq s LEU 232 Ca 0.15 0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 54.02 1nuq s LEU 232 Cb -0.08 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.43 1nuq s LEU 232 CO 0.85 -0.42 0.73 -1.22 0.23 0.00 0.00 176.35 176.52 1nuq n TYR 233 N -1.70 -2.13 -3.13 0.29 4.01 -1.26 -4.86 117.16 108.38 1nuq n TYR 233 Ca -0.00 0.65 -0.38 0.00 -0.16 0.00 0.00 57.90 58.01 1nuq n TYR 233 Cb 0.55 -4.15 -0.06 0.00 -0.31 0.00 0.00 39.34 35.37 1nuq n TYR 233 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1nuq s THR 234 N -3.16 4.58 -0.66 -0.72 -4.23 -1.26 -3.18 115.64 107.00 1nuq s THR 234 Ca 0.43 1.35 0.00 0.00 -1.18 0.00 0.00 61.69 62.28 1nuq s THR 234 Cb -0.20 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 69.70 1nuq s THR 234 CO 0.53 0.38 0.16 2.29 -0.54 0.00 0.00 174.62 177.44