#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1phq s LYS 2 N 0.00 2.64 0.45 2.12 -2.85 -1.26 -5.13 119.74 115.71 1phq s LYS 2 Ca 0.00 -1.36 -0.04 0.00 -1.00 0.00 0.00 55.97 53.57 1phq s LYS 2 Cb 0.00 -2.40 -0.04 0.00 -2.06 0.00 0.00 37.83 33.33 1phq s LYS 2 CO 0.00 0.10 0.73 -0.65 0.10 0.00 0.00 175.35 175.63 1phq s GLN 3 N -3.96 3.54 0.27 1.78 -1.52 -1.26 -4.93 119.66 113.58 1phq s GLN 3 Ca 0.40 0.09 0.04 0.00 -1.95 0.00 0.00 55.36 53.94 1phq s GLN 3 Cb -0.05 -2.44 -0.03 0.00 -0.22 0.00 0.00 33.01 30.27 1phq s GLN 3 CO 0.26 -0.12 0.42 0.21 -0.25 0.00 0.00 175.29 175.81 1phq s LYS 4 N -4.59 3.45 -0.10 2.91 2.20 -1.19 -5.01 119.74 117.41 1phq s LYS 4 Ca 0.46 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 1phq s LYS 4 Cb -0.10 -2.82 0.01 0.00 -1.51 0.00 0.00 37.83 33.41 1phq s LYS 4 CO 0.42 0.34 -0.16 0.08 -0.36 0.00 0.00 175.35 175.68 1phq s VAL 5 N -2.08 1.49 -0.36 4.02 1.01 -1.26 -4.29 120.40 118.93 1phq s VAL 5 Ca 0.36 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1phq s VAL 5 Cb -0.09 -1.35 0.44 0.00 0.00 0.00 0.00 36.38 35.38 1phq s VAL 5 CO 0.31 0.44 1.13 0.52 0.00 0.00 0.00 175.10 177.50 1phq n VAL 6 N 4.04 2.25 -1.61 2.92 0.31 -1.12 -4.99 118.33 120.13 1phq n VAL 6 Ca -0.20 -4.39 -0.49 0.00 -0.01 0.00 0.00 64.34 59.25 1phq n VAL 6 Cb 0.52 -0.90 -0.05 0.00 -0.91 0.00 0.00 33.84 32.50 1phq n VAL 6 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1phq n SER 7 N -0.54 2.01 -4.29 4.52 3.41 -1.26 -4.59 113.62 112.89 1phq n SER 7 Ca 0.36 1.12 -0.40 0.00 -0.26 0.00 0.00 58.87 59.70 1phq n SER 7 Cb 0.80 -1.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.36 1phq n SER 7 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1phq s ILE 8 N 0.32 4.20 0.00 -1.33 1.09 0.17 -4.93 121.20 120.72 1phq s ILE 8 Ca 0.78 -1.23 0.00 0.00 -1.10 0.00 0.00 60.65 59.10 1phq s ILE 8 Cb -0.83 -3.49 0.00 0.00 -1.06 0.00 0.00 42.46 37.09 1phq s ILE 8 CO 0.47 -0.38 0.00 0.61 -0.10 0.00 0.00 174.94 175.54 1phq n GLY 9 N 4.91 3.14 0.00 6.18 0.00 -1.26 -1.03 105.19 117.13 1phq n GLY 9 Ca -0.11 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1phq n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1phq n ASP 10 N 2.76 0.00 -4.53 1.61 5.75 -1.26 -4.73 116.55 116.14 1phq n ASP 10 Ca 0.00 -1.29 -0.34 0.00 -0.01 0.00 0.00 54.79 53.16 1phq n ASP 10 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1phq n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1phq s ILE 11 N -2.00 3.86 -0.32 2.12 1.01 -0.19 -5.09 121.20 120.59 1phq s ILE 11 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1phq s ILE 11 Cb 0.03 -2.66 0.04 0.00 0.01 0.00 0.00 42.46 39.88 1phq s ILE 11 CO 0.05 0.53 0.05 0.20 0.00 0.00 0.00 174.94 175.77 1phq s ASN 12 N -0.03 5.08 -0.37 3.58 -0.87 -1.26 0.44 114.94 121.51 1phq s ASN 12 Ca 0.01 -1.15 -0.15 0.00 -1.57 0.00 0.00 52.86 50.00 1phq s ASN 12 Cb -0.13 -1.80 -0.00 0.00 -0.02 0.00 0.00 41.25 39.30 1phq s ASN 12 CO 0.03 -0.28 0.34 -0.69 -2.57 0.00 0.00 177.10 173.92 1phq s VAL 13 N 1.34 5.20 -0.23 1.60 1.01 -1.26 -4.91 120.40 123.15 1phq s VAL 13 Ca -0.03 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1phq s VAL 13 Cb -0.19 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1phq s VAL 13 CO 0.01 -0.17 0.72 0.00 0.00 0.00 0.00 175.10 175.66 1phq s ALA 14 N 1.91 -1.78 0.59 5.51 0.00 -1.26 -2.78 121.76 123.94 1phq s ALA 14 Ca 0.09 1.89 0.30 0.00 0.00 0.00 0.00 51.96 54.24 1phq s ALA 14 Cb -0.17 -0.96 1.38 0.00 0.00 0.00 0.00 23.12 23.36 1phq s ALA 14 CO 0.11 -0.34 1.75 -0.91 0.00 0.00 0.00 175.76 176.37 1phq h ASN 15 N 4.59 0.00 0.00 0.00 -0.26 -1.86 -0.26 115.58 117.80 1phq h ASN 15 Ca -0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 1phq h ASN 15 Cb 1.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 1phq h ASN 15 CO 0.12 0.00 -1.02 -0.90 -1.06 0.00 0.00 177.43 174.56 1phq n ASP 16 N -3.68 0.86 -4.92 5.81 5.68 -1.26 -4.51 116.55 114.52 1phq n ASP 16 Ca 0.14 -0.84 -0.26 0.00 -0.50 0.00 0.00 54.79 53.33 1phq n ASP 16 Cb 0.95 1.11 0.03 0.00 -1.14 0.00 0.00 41.12 42.07 1phq n ASP 16 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1phq s LEU 17 N -3.08 3.22 0.80 -2.12 1.02 -0.11 -4.90 118.68 113.51 1phq s LEU 17 Ca 0.06 0.60 -0.14 0.00 0.02 0.00 0.00 54.13 54.66 1phq s LEU 17 Cb 0.14 -3.41 0.02 0.00 0.02 0.00 0.00 46.19 42.96 1phq s LEU 17 CO 0.79 -1.10 0.77 -2.65 0.02 0.00 0.00 176.35 174.18 1phq n PRO 18 N -2.57 0.15 -2.40 1.29 -0.02 -1.26 -4.81 135.00 125.39 1phq n PRO 18 Ca 0.05 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.25 1phq n PRO 18 Cb 0.58 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1phq n PRO 18 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1phq s PHE 19 N -2.08 3.27 -0.22 6.00 -0.71 -1.26 -4.79 117.98 118.19 1phq s PHE 19 Ca 0.67 1.61 -0.05 0.00 -1.04 0.00 0.00 56.93 58.12 1phq s PHE 19 Cb -0.30 -3.31 -0.02 0.00 -1.21 0.00 0.00 43.02 38.18 1phq s PHE 19 CO 0.57 -0.95 0.00 0.08 -1.34 0.00 0.00 175.22 173.58 1phq s VAL 20 N -1.39 3.78 -0.18 -2.49 1.01 -1.03 -4.31 120.40 115.79 1phq s VAL 20 Ca 0.53 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 1phq s VAL 20 Cb -0.29 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1phq s VAL 20 CO 0.37 0.40 0.90 -0.22 0.00 0.00 0.00 175.10 176.55 1phq s LEU 21 N 1.41 4.15 -0.59 3.92 2.96 -1.04 -3.35 118.68 126.15 1phq s LEU 21 Ca 0.05 1.25 -0.00 0.00 -0.22 0.00 0.00 54.13 55.21 1phq s LEU 21 Cb -0.15 -3.34 0.46 0.00 0.50 0.00 0.00 46.19 43.66 1phq s LEU 21 CO 0.00 -0.48 1.89 0.49 -1.32 0.00 0.00 176.35 176.93 1phq n PHE 22 N 5.56 3.12 0.00 5.38 3.01 -0.61 -1.54 117.46 132.37 1phq n PHE 22 Ca 0.07 -2.82 0.00 0.00 1.01 0.00 0.00 57.45 55.71 1phq n PHE 22 Cb 0.48 -1.24 0.00 0.00 -0.01 0.00 0.00 39.48 38.71 1phq n PHE 22 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1phq n GLY 23 N -0.90 -3.32 0.00 1.37 0.00 -1.14 -4.12 105.19 97.07 1phq n GLY 23 Ca 0.59 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1phq n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1phq n GLY 24 N 0.00 0.43 3.17 -0.02 0.00 -1.11 0.69 105.19 108.36 1phq n GLY 24 Ca 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1phq n GLY 24 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1phq s MET 25 N -0.31 0.78 0.00 1.61 0.23 0.51 -3.19 119.30 118.93 1phq s MET 25 Ca 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 55.69 53.64 1phq s MET 25 Cb 0.00 0.31 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 1phq s MET 25 CO 0.00 -0.23 0.02 -1.71 -2.03 0.00 0.00 175.02 171.07 1phq n ASN 26 N -0.01 0.00 -4.91 -1.18 2.85 -1.26 -3.09 115.26 107.65 1phq n ASN 26 Ca -0.15 0.02 -0.29 0.00 -0.11 0.00 0.00 54.58 54.05 1phq n ASN 26 Cb 0.62 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.60 1phq n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1phq s VAL 27 N -0.03 5.20 -0.90 3.44 1.01 -1.26 0.19 120.40 128.05 1phq s VAL 27 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1phq s VAL 27 Cb 0.00 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.78 1phq s VAL 27 CO 0.00 -0.07 1.24 -0.76 0.00 0.00 0.00 175.10 175.50 1phq s LEU 28 N -3.00 4.17 -0.03 3.92 1.43 0.10 -4.71 118.68 120.56 1phq s LEU 28 Ca 0.39 -1.48 -0.25 0.00 -1.03 0.00 0.00 54.13 51.77 1phq s LEU 28 Cb -0.12 -2.48 -0.20 0.00 0.03 0.00 0.00 46.19 43.42 1phq s LEU 28 CO 0.27 -1.38 1.20 -0.33 0.23 0.00 0.00 176.35 176.34 1phq h GLU 29 N 9.44 0.08 -1.15 1.70 5.08 -1.96 -3.38 114.58 124.39 1phq h GLU 29 Ca 0.05 -0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 1phq h GLU 29 Cb 1.03 0.01 -0.32 0.00 0.50 0.00 0.00 28.75 29.97 1phq h GLU 29 CO 1.26 0.64 0.80 -1.54 -1.00 0.00 0.00 179.01 179.16 1phq s SER 30 N -5.89 -0.12 0.28 1.42 1.04 -1.26 -5.01 113.70 104.16 1phq s SER 30 Ca -0.16 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.51 1phq s SER 30 Cb 0.02 0.34 0.65 0.00 0.10 0.00 0.00 66.02 67.12 1phq s SER 30 CO 0.70 -0.04 1.72 0.08 0.98 0.00 0.00 173.24 176.68 1phq h ARG 31 N 3.57 0.46 -0.90 4.02 -0.00 -1.96 1.15 114.38 120.72 1phq h ARG 31 Ca -0.27 -0.03 0.20 0.00 -0.00 0.00 0.00 59.98 59.88 1phq h ARG 31 Cb 1.19 -0.10 -0.12 0.00 -0.00 0.00 0.00 29.97 30.94 1phq h ARG 31 CO 0.18 0.30 0.44 -0.44 -0.00 0.00 0.00 179.97 180.45 1phq h ASP 32 N 0.47 0.44 0.00 0.08 3.32 -2.00 -0.15 116.42 118.58 1phq h ASP 32 Ca 0.52 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.70 1phq h ASP 32 Cb 0.90 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1phq h ASP 32 CO -0.47 0.08 -0.15 0.25 -1.72 0.00 0.00 179.24 177.24 1phq h LEU 33 N 0.50 0.00 0.00 1.55 5.85 -0.78 -3.31 115.31 119.11 1phq h LEU 33 Ca 0.54 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.26 1phq h LEU 33 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1phq h LEU 33 CO -0.47 0.53 0.00 0.00 -0.34 0.00 0.00 178.44 178.16 1phq n ALA 34 N -2.96 0.00 -0.31 1.25 0.00 0.36 -0.43 120.51 118.42 1phq n ALA 34 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1phq n ALA 34 Cb 0.08 0.22 0.05 0.00 0.00 0.00 0.00 19.45 19.80 1phq n ALA 34 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1phq n MET 35 N -1.41 -0.16 -0.32 0.00 2.81 -0.10 0.27 117.12 118.20 1phq n MET 35 Ca 0.00 1.24 0.16 0.00 -1.81 0.00 0.00 57.70 57.29 1phq n MET 35 Cb 0.00 -1.84 0.40 0.00 -0.71 0.00 0.00 33.22 31.07 1phq n MET 35 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1phq h ARG 36 N 0.00 0.59 0.01 0.03 2.43 -0.83 0.54 114.38 117.15 1phq h ARG 36 Ca 0.30 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1phq h ARG 36 Cb 0.50 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1phq h ARG 36 CO -0.80 0.39 -0.01 0.82 -1.51 0.00 0.00 179.97 178.86 1phq h ILE 37 N 0.61 1.32 0.00 1.20 2.04 0.48 -2.62 117.51 120.54 1phq h ILE 37 Ca 0.55 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1phq h ILE 37 Cb 1.07 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1phq h ILE 37 CO -0.31 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.10 1phq h GLU 39 N 0.00 0.08 -0.09 0.00 4.22 0.34 -3.21 114.58 115.93 1phq h GLU 39 Ca 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.35 1phq h GLU 39 Cb 0.04 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1phq h GLU 39 CO 0.00 0.74 -0.00 1.25 -2.18 0.00 0.00 179.01 178.82 1phq h HIS 40 N -0.55 0.18 -0.05 0.92 2.76 -1.44 -2.38 115.15 114.59 1phq h HIS 40 Ca -0.01 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1phq h HIS 40 Cb 0.76 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1phq h HIS 40 CO 0.16 0.43 -0.10 1.88 -1.30 0.00 0.00 177.93 179.00 1phq h TYR 41 N -0.12 -0.31 -0.94 5.26 0.05 -1.71 0.19 116.97 119.39 1phq h TYR 41 Ca 0.03 0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.96 1phq h TYR 41 Cb 0.36 0.14 -0.15 0.00 1.01 0.00 0.00 36.73 38.09 1phq h TYR 41 CO 0.04 -0.10 -0.38 0.28 -1.05 0.00 0.00 178.16 176.95 1phq n VAL 42 N -3.15 -0.51 0.30 -2.88 0.31 -1.21 0.22 118.33 111.42 1phq n VAL 42 Ca -0.01 2.20 -0.17 0.00 -0.01 0.00 0.00 64.34 66.35 1phq n VAL 42 Cb 0.07 -2.89 -0.09 0.00 -0.91 0.00 0.00 33.84 30.02 1phq n VAL 42 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1phq h THR 43 N 0.00 0.12 -0.73 2.52 2.02 -0.86 -0.84 112.91 115.14 1phq h THR 43 Ca 0.31 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.52 1phq h THR 43 Cb 0.55 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1phq h THR 43 CO -0.93 0.00 0.48 0.58 0.37 0.00 0.00 175.52 176.03 1phq h VAL 44 N -0.94 1.14 0.10 3.16 2.07 0.22 0.12 116.25 122.13 1phq h VAL 44 Ca -0.06 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1phq h VAL 44 Cb 0.81 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1phq h VAL 44 CO -0.02 0.17 -0.05 0.71 0.02 0.00 0.00 177.57 178.39 1phq h THR 45 N 0.92 0.00 -0.84 2.57 1.35 0.31 0.16 112.91 117.38 1phq h THR 45 Ca 0.28 -0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.33 1phq h THR 45 Cb -0.00 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.31 1phq h THR 45 CO -0.08 0.00 0.35 1.56 -0.25 0.00 0.00 175.52 177.11 1phq h GLN 46 N -0.14 0.42 -0.11 4.72 7.50 -1.08 0.80 115.11 127.21 1phq h GLN 46 Ca -0.01 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.07 1phq h GLN 46 Cb 0.11 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1phq h GLN 46 CO 0.02 0.28 -0.13 -0.22 -1.50 0.00 0.00 178.83 177.28 1phq h LYS 47 N 0.43 0.17 0.00 1.46 3.64 -0.65 -3.04 116.57 118.59 1phq h LYS 47 Ca 0.50 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1phq h LYS 47 Cb 0.85 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1phq h LYS 47 CO -0.47 0.31 -1.49 1.28 -2.27 0.00 0.00 179.45 176.81 1phq n LEU 48 N -4.30 0.49 -1.66 5.20 4.77 0.53 -5.03 117.00 117.01 1phq n LEU 48 Ca -0.01 -0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 55.74 1phq n LEU 48 Cb 0.25 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1phq n LEU 48 CO 0.37 0.11 0.02 0.61 -1.33 0.00 0.00 177.39 177.17 1phq n GLY 49 N 1.37 0.23 2.75 -0.72 0.00 0.25 -5.06 105.19 104.00 1phq n GLY 49 Ca -0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 1phq n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1phq s ILE 50 N -3.02 -0.09 0.63 -0.61 1.09 -1.16 -5.04 121.20 113.00 1phq s ILE 50 Ca 0.02 0.30 -0.18 0.00 -1.10 0.00 0.00 60.65 59.70 1phq s ILE 50 Cb -0.00 -0.12 -0.05 0.00 -1.06 0.00 0.00 42.46 41.23 1phq s ILE 50 CO 0.07 0.12 0.81 -2.65 -0.10 0.00 0.00 174.94 173.19 1phq n PRO 51 N 4.63 0.66 -4.09 2.79 -0.02 -1.26 -4.62 135.00 133.10 1phq n PRO 51 Ca -0.18 0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 1phq n PRO 51 Cb 0.50 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.85 1phq n PRO 51 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1phq s TYR 52 N -1.65 0.62 -0.17 6.00 5.04 -1.26 -2.48 117.35 123.44 1phq s TYR 52 Ca 0.73 -0.77 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 1phq s TYR 52 Cb -0.40 -0.39 0.05 0.00 0.35 0.00 0.00 41.96 41.57 1phq s TYR 52 CO 0.50 -0.20 0.44 0.08 -1.34 0.00 0.00 175.55 175.04 1phq s VAL 53 N -2.70 -0.01 -0.10 3.14 1.01 -0.59 -4.54 120.40 116.61 1phq s VAL 53 Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1phq s VAL 53 Cb -0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1phq s VAL 53 CO -0.04 0.02 0.19 0.12 0.00 0.00 0.00 175.10 175.38 1phq s PHE 54 N 0.81 3.62 0.03 5.22 5.36 -1.09 -2.90 117.98 129.04 1phq s PHE 54 Ca -0.05 0.61 0.07 0.00 -0.96 0.00 0.00 56.93 56.60 1phq s PHE 54 Cb -0.05 -2.00 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 1phq s PHE 54 CO -0.06 0.72 -0.19 -1.59 -1.46 0.00 0.00 175.22 172.64 1phq s LYS 55 N -1.04 1.33 -0.18 10.12 0.00 0.22 -1.37 119.74 128.81 1phq s LYS 55 Ca 0.17 -0.85 -0.28 0.00 0.00 0.00 0.00 55.97 55.00 1phq s LYS 55 Cb -0.13 -1.40 0.11 0.00 0.00 0.00 0.00 37.83 36.41 1phq s LYS 55 CO 0.06 0.36 0.92 0.00 0.00 0.00 0.00 175.35 176.69 1phq s ALA 56 N -0.73 -1.90 -0.04 0.59 0.00 -1.15 0.19 121.76 118.72 1phq s ALA 56 Ca 0.06 1.66 -0.04 0.00 0.00 0.00 0.00 51.96 53.65 1phq s ALA 56 Cb -0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1phq s ALA 56 CO 0.01 -0.30 0.15 -1.12 0.00 0.00 0.00 175.76 174.50 1phq s SER 57 N -0.60 6.23 0.00 0.00 0.01 0.52 -4.43 113.70 115.43 1phq s SER 57 Ca -0.02 0.34 0.13 0.00 1.31 0.00 0.00 55.95 57.71 1phq s SER 57 Cb -0.02 -1.94 0.30 0.00 0.21 0.00 0.00 66.02 64.56 1phq s SER 57 CO 0.01 0.31 1.20 2.22 0.41 0.00 0.00 173.24 177.39 1phq n PHE 58 N 1.32 0.41 -3.62 2.43 1.16 -1.26 0.00 117.46 117.91 1phq n PHE 58 Ca -0.14 -0.38 -0.09 0.00 -1.87 0.00 0.00 57.45 54.97 1phq n PHE 58 Cb 0.53 -0.02 -0.06 0.00 -1.61 0.00 0.00 39.48 38.32 1phq n PHE 58 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1phq s ASP 59 N -1.02 -0.36 -0.56 5.98 -1.08 -1.26 -2.25 116.67 116.12 1phq s ASP 59 Ca 0.24 0.57 0.06 0.00 -0.52 0.00 0.00 52.55 52.90 1phq s ASP 59 Cb 0.13 0.53 0.22 0.00 -1.46 0.00 0.00 42.92 42.35 1phq s ASP 59 CO 0.18 -0.21 0.58 0.29 0.52 0.00 0.00 175.17 176.53 1phq n LYS 60 N 1.48 1.61 0.11 4.34 4.76 -0.49 -4.93 118.16 125.04 1phq n LYS 60 Ca -0.11 -4.08 0.19 0.00 -2.87 0.00 0.00 58.31 51.44 1phq n LYS 60 Cb 0.57 -1.94 0.62 0.00 -1.84 0.00 0.00 35.03 32.44 1phq n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1phq h ALA 61 N 4.62 2.09 -3.48 7.82 0.00 -1.97 -3.37 119.26 124.96 1phq h ALA 61 Ca 0.17 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.40 1phq h ALA 61 Cb 0.77 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.36 1phq h ALA 61 CO 0.66 -0.84 -0.71 0.54 0.00 0.00 0.00 179.25 178.89 1phq s ASN 62 N -4.44 4.44 0.01 0.00 6.03 -1.26 -5.08 114.94 114.64 1phq s ASN 62 Ca -0.03 -0.17 -0.01 0.00 -1.03 0.00 0.00 52.86 51.62 1phq s ASN 62 Cb 0.12 -1.47 0.00 0.00 -3.03 0.00 0.00 41.25 36.87 1phq s ASN 62 CO 0.40 0.24 0.06 0.54 -2.03 0.00 0.00 177.10 176.32 1phq n ARG 63 N 3.06 0.04 -0.83 3.55 1.74 -1.26 -5.06 116.66 117.90 1phq n ARG 63 Ca -0.18 -0.10 -0.05 0.00 -0.77 0.00 0.00 57.85 56.75 1phq n ARG 63 Cb 0.53 0.13 0.20 0.00 -1.02 0.00 0.00 32.46 32.30 1phq n ARG 63 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1phq n SER 64 N -0.66 2.53 0.00 0.55 3.41 -1.26 -5.00 113.62 113.19 1phq n SER 64 Ca -0.00 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 1phq n SER 64 Cb 0.04 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1phq n SER 64 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1phq n SER 65 N -1.12 0.00 0.03 4.04 3.41 -1.26 -5.02 113.62 113.71 1phq n SER 65 Ca 0.35 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.83 1phq n SER 65 Cb 1.07 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.88 1phq n SER 65 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1phq h ILE 66 N 1.72 1.15 0.00 -1.33 5.03 -2.02 -3.35 117.51 118.71 1phq h ILE 66 Ca 0.00 -2.88 -0.18 0.00 -0.12 0.00 0.00 64.86 61.68 1phq h ILE 66 Cb 0.00 2.66 -0.06 0.00 -3.03 0.00 0.00 36.82 36.39 1phq h ILE 66 CO 0.00 0.76 -0.28 1.41 -0.68 0.00 0.00 178.15 179.36 1phq n HIS 67 N -3.31 0.02 -4.24 1.37 8.25 -1.26 -4.77 115.22 111.28 1phq n HIS 67 Ca -0.14 -1.38 -0.18 0.00 -0.26 0.00 0.00 57.72 55.76 1phq n HIS 67 Cb 1.02 -1.50 -0.08 0.00 1.12 0.00 0.00 29.99 30.56 1phq n HIS 67 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1phq s SER 68 N 2.09 1.44 -0.72 0.41 0.01 -1.26 -5.11 113.70 110.57 1phq s SER 68 Ca 0.61 -1.69 -0.26 0.00 1.31 0.00 0.00 55.95 55.92 1phq s SER 68 Cb 0.29 0.56 0.01 0.00 0.21 0.00 0.00 66.02 67.09 1phq s SER 68 CO -0.00 -1.09 1.56 -0.47 0.41 0.00 0.00 173.24 173.66 1phq s TYR 69 N -3.43 2.02 0.07 2.43 5.04 -1.26 -4.89 117.35 117.33 1phq s TYR 69 Ca 0.39 0.27 -0.33 0.00 -2.44 0.00 0.00 57.07 54.96 1phq s TYR 69 Cb 0.02 -4.38 -0.16 0.00 0.35 0.00 0.00 41.96 37.78 1phq s TYR 69 CO 0.25 -2.14 1.51 0.00 -1.34 0.00 0.00 175.55 173.83 1phq h ARG 70 N 12.07 -0.95 0.00 4.97 2.47 -1.90 -3.45 114.38 127.60 1phq h ARG 70 Ca -0.22 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1phq h ARG 70 Cb 1.09 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1phq h ARG 70 CO 1.26 -0.63 0.00 0.41 0.56 0.00 0.00 179.97 181.57 1phq n GLY 71 N -1.54 1.17 0.41 0.04 0.00 -1.26 -1.40 105.19 102.62 1phq n GLY 71 Ca -0.12 -1.55 0.18 0.00 0.00 0.00 0.00 46.02 44.53 1phq n GLY 71 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1phq h PRO 72 N 0.00 0.00 0.00 1.61 0.11 -1.74 -3.47 132.00 128.51 1phq h PRO 72 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1phq h PRO 72 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1phq h PRO 72 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 1phq n GLY 73 N -1.52 0.11 0.20 -0.55 0.00 -0.95 -3.68 105.19 98.79 1phq n GLY 73 Ca 0.09 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 1phq n GLY 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1phq h LEU 74 N 0.00 -0.36 -0.13 0.99 7.12 -1.91 1.38 115.31 122.40 1phq h LEU 74 Ca 0.00 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 1phq h LEU 74 Cb 0.00 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 1phq h LEU 74 CO 0.00 -0.21 0.02 -0.08 -0.13 0.00 0.00 178.44 178.04 1phq h GLU 75 N -0.47 0.22 0.00 1.25 4.22 -1.97 -1.53 114.58 116.30 1phq h GLU 75 Ca -0.04 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1phq h GLU 75 Cb 0.36 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1phq h GLU 75 CO 0.07 0.41 0.00 -1.91 -2.18 0.00 0.00 179.01 175.40 1phq n GLU 76 N -4.82 0.12 0.00 1.92 4.07 -1.22 -3.77 120.64 116.95 1phq n GLU 76 Ca -0.05 0.13 -0.21 0.00 -0.06 0.00 0.00 57.16 56.96 1phq n GLU 76 Cb 0.17 -1.65 -0.14 0.00 -0.06 0.00 0.00 31.44 29.76 1phq n GLU 76 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1phq h GLY 77 N 4.55 0.27 0.36 8.31 0.00 0.21 -3.34 103.07 113.42 1phq h GLY 77 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 47.33 46.70 1phq h GLY 77 CO 0.00 0.59 -0.17 -0.33 0.00 0.00 0.00 176.54 176.64 1phq h MET 78 N -0.35 -0.17 -0.58 4.80 2.86 -1.37 -2.55 114.93 117.57 1phq h MET 78 Ca -0.29 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1phq h MET 78 Cb 1.72 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 33.31 1phq h MET 78 CO 0.05 -0.11 -0.46 0.87 1.06 0.00 0.00 176.91 178.32 1phq h LYS 79 N -0.18 -0.23 -1.18 1.72 1.57 -1.74 -0.25 116.57 116.28 1phq h LYS 79 Ca 0.12 0.02 0.37 0.00 -1.87 0.00 0.00 60.65 59.28 1phq h LYS 79 Cb 0.35 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.59 1phq h LYS 79 CO -0.30 -0.16 0.74 0.82 -0.57 0.00 0.00 179.45 179.99 1phq h ILE 80 N -0.24 0.26 -0.22 1.86 2.04 -1.57 0.25 117.51 119.89 1phq h ILE 80 Ca 0.16 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1phq h ILE 80 Cb 0.56 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1phq h ILE 80 CO -0.69 0.04 -0.09 -0.26 0.00 0.00 0.00 178.15 177.15 1phq h PHE 81 N 0.21 0.51 0.00 1.37 0.04 -1.01 -3.26 116.94 114.81 1phq h PHE 81 Ca 0.74 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 61.39 1phq h PHE 81 Cb 2.12 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 40.15 1phq h PHE 81 CO -0.01 0.72 0.00 1.04 -0.60 0.00 0.00 178.31 179.46 1phq n GLN 82 N -4.55 0.00 -0.13 1.51 1.13 0.88 0.59 117.38 116.82 1phq n GLN 82 Ca -0.04 0.96 0.25 0.00 -1.94 0.00 0.00 57.00 56.22 1phq n GLN 82 Cb 0.32 -1.46 0.44 0.00 0.11 0.00 0.00 30.24 29.65 1phq n GLN 82 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1phq h GLU 83 N 0.00 0.00 0.00 -1.09 4.81 -1.60 -1.05 114.58 115.65 1phq h GLU 83 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1phq h GLU 83 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1phq h GLU 83 CO 0.00 0.00 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.01 1phq h LEU 84 N 0.00 0.00 -0.69 1.64 3.38 0.11 -3.28 115.31 116.46 1phq h LEU 84 Ca 0.41 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1phq h LEU 84 Cb 2.62 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 43.27 1phq h LEU 84 CO -0.00 0.88 -0.56 0.11 0.09 0.00 0.00 178.44 178.96 1phq h LYS 85 N -1.00 -0.20 -0.33 1.13 1.57 -0.37 -1.13 116.57 116.24 1phq h LYS 85 Ca -0.04 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1phq h LYS 85 Cb 0.67 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1phq h LYS 85 CO -0.03 -0.13 0.07 -0.56 -0.57 0.00 0.00 179.45 178.23 1phq h GLN 86 N -0.20 0.18 -0.92 3.15 3.07 -1.76 1.31 115.11 119.94 1phq h GLN 86 Ca 0.13 -0.01 0.08 0.00 0.09 0.00 0.00 58.65 58.93 1phq h GLN 86 Cb 0.51 -0.04 -0.06 0.00 0.08 0.00 0.00 27.48 27.97 1phq h GLN 86 CO -0.76 0.12 0.60 1.15 0.09 0.00 0.00 178.83 180.03 1phq h THR 87 N 0.19 1.04 0.00 1.86 2.02 -1.37 -3.34 112.91 113.31 1phq h THR 87 Ca 0.15 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1phq h THR 87 Cb 0.17 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1phq h THR 87 CO -0.20 0.19 -1.12 0.49 0.37 0.00 0.00 175.52 175.25 1phq n PHE 88 N -4.51 0.00 -2.65 3.16 3.72 -0.52 -5.06 117.46 111.60 1phq n PHE 88 Ca 0.15 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.49 1phq n PHE 88 Cb 0.23 -0.07 0.02 0.00 -0.94 0.00 0.00 39.48 38.72 1phq n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1phq n GLY 89 N 2.52 0.50 3.24 1.37 0.00 0.45 -5.07 105.19 108.20 1phq n GLY 89 Ca -0.01 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 1phq n GLY 89 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1phq s VAL 90 N -3.08 1.22 0.85 1.61 -7.23 -1.25 -5.09 120.40 107.43 1phq s VAL 90 Ca 0.10 -1.83 -0.13 0.00 -1.81 0.00 0.00 61.98 58.31 1phq s VAL 90 Cb -0.05 -1.62 0.11 0.00 0.56 0.00 0.00 36.38 35.39 1phq s VAL 90 CO 0.18 -0.56 1.21 -0.54 -0.31 0.00 0.00 175.10 175.08 1phq s LYS 91 N -3.07 1.59 -0.15 4.82 3.01 -1.26 -4.62 119.74 120.06 1phq s LYS 91 Ca 0.11 -0.02 -0.00 0.00 -1.01 0.00 0.00 55.97 55.05 1phq s LYS 91 Cb -0.02 -1.92 0.04 0.00 -1.01 0.00 0.00 37.83 34.92 1phq s LYS 91 CO 0.02 -1.83 -0.07 0.42 0.51 0.00 0.00 175.35 174.40 1phq s ILE 92 N -3.65 1.16 -0.24 2.17 -1.09 -1.26 -2.66 121.20 115.63 1phq s ILE 92 Ca 0.65 -0.57 -0.07 0.00 -2.23 0.00 0.00 60.65 58.43 1phq s ILE 92 Cb -0.09 -1.27 -0.03 0.00 -1.58 0.00 0.00 42.46 39.49 1phq s ILE 92 CO 0.50 0.21 0.06 -0.51 -1.23 0.00 0.00 174.94 173.97 1phq s ILE 93 N 1.62 4.21 0.06 2.92 2.07 -0.47 -2.38 121.20 129.22 1phq s ILE 93 Ca 0.02 -0.21 -0.00 0.00 -1.41 0.00 0.00 60.65 59.05 1phq s ILE 93 Cb -0.14 -2.96 -0.04 0.00 0.13 0.00 0.00 42.46 39.45 1phq s ILE 93 CO -0.08 0.35 -0.04 0.28 -1.91 0.00 0.00 174.94 173.54 1phq s THR 94 N 1.56 0.31 0.04 4.00 -1.32 -0.87 -2.91 115.64 116.45 1phq s THR 94 Ca 0.06 -1.71 -0.02 0.00 -1.21 0.00 0.00 61.69 58.82 1phq s THR 94 Cb -0.15 -1.37 -0.04 0.00 -1.51 0.00 0.00 72.50 69.42 1phq s THR 94 CO 0.03 -0.89 0.21 1.51 -2.21 0.00 0.00 174.62 173.27 1phq s ASP 95 N -2.73 6.38 0.21 8.08 -4.77 -1.26 -1.34 116.67 121.24 1phq s ASP 95 Ca 0.05 0.34 0.10 0.00 -3.30 0.00 0.00 52.55 49.73 1phq s ASP 95 Cb 0.05 -1.99 -0.04 0.00 -1.09 0.00 0.00 42.92 39.84 1phq s ASP 95 CO -0.08 0.20 -0.10 0.68 0.70 0.00 0.00 175.17 176.58 1phq s VAL 96 N -1.44 3.11 0.00 2.11 -7.23 -1.07 -4.82 120.40 111.07 1phq s VAL 96 Ca 0.32 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1phq s VAL 96 Cb -0.13 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1phq s VAL 96 CO 0.23 -0.20 0.08 1.41 -0.31 0.00 0.00 175.10 176.32 1phq n HIS 97 N -0.21 0.00 -4.30 2.82 8.25 -1.26 -4.33 115.22 116.18 1phq n HIS 97 Ca -0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.19 1phq n HIS 97 Cb 0.57 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.54 1phq n HIS 97 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1phq s GLU 98 N -0.27 0.72 0.00 -0.41 0.41 -1.26 -5.01 118.70 112.89 1phq s GLU 98 Ca 0.00 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 1phq s GLU 98 Cb 0.00 -0.68 0.01 0.00 -1.78 0.00 0.00 34.13 31.69 1phq s GLU 98 CO 0.00 0.18 0.99 -2.30 -0.49 0.00 0.00 175.26 173.63 1phq n PRO 99 N 2.45 0.00 -0.07 0.39 -0.02 -1.26 -1.96 135.00 134.54 1phq n PRO 99 Ca -0.16 0.48 -0.06 0.00 -2.02 0.00 0.00 63.50 61.75 1phq n PRO 99 Cb 0.56 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.48 1phq n PRO 99 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1phq h SER 100 N 0.00 0.00 -0.38 2.55 4.64 -1.99 -3.33 113.55 115.04 1phq h SER 100 Ca 0.00 -0.21 0.11 0.00 -0.47 0.00 0.00 61.79 61.22 1phq h SER 100 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1phq h SER 100 CO 0.00 0.77 0.73 1.56 -0.87 0.00 0.00 176.83 179.02 1phq h GLN 101 N -1.00 0.00 0.00 4.77 4.20 -1.81 -3.19 115.11 118.08 1phq h GLN 101 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1phq h GLN 101 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1phq h GLN 101 CO -0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 1phq n ALA 102 N -2.03 0.00 -0.15 3.87 0.00 -1.16 -2.70 120.51 118.34 1phq n ALA 102 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 1phq n ALA 102 Cb 0.87 0.32 0.01 0.00 0.00 0.00 0.00 19.45 20.65 1phq n ALA 102 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1phq h GLN 103 N 0.00 0.62 0.00 0.00 5.75 -1.81 -3.06 115.11 116.61 1phq h GLN 103 Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1phq h GLN 103 Cb 0.00 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.42 1phq h GLN 103 CO 0.00 0.47 0.00 -2.30 -2.65 0.00 0.00 178.83 174.35 1phq n PRO 104 N -4.72 0.00 -0.23 -2.39 -0.02 -1.19 -0.54 135.00 125.92 1phq n PRO 104 Ca 0.01 0.69 0.31 0.00 -2.02 0.00 0.00 63.50 62.50 1phq n PRO 104 Cb 0.06 -1.34 0.63 0.00 -0.02 0.00 0.00 33.50 32.83 1phq n PRO 104 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1phq h VAL 105 N 0.00 0.17 -0.01 -1.45 2.07 -1.60 0.49 116.25 115.92 1phq h VAL 105 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1phq h VAL 105 Cb 0.00 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1phq h VAL 105 CO 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.50 1phq h ALA 106 N 1.01 1.83 0.13 1.67 0.00 -0.70 -0.64 119.26 122.55 1phq h ALA 106 Ca 0.50 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.96 1phq h ALA 106 Cb 2.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 1phq h ALA 106 CO -0.01 0.13 -1.90 -0.44 0.00 0.00 0.00 179.25 177.04 1phq h ASP 107 N 0.02 0.43 -0.07 0.00 3.32 0.14 -3.39 116.42 116.86 1phq h ASP 107 Ca 0.00 -0.93 -0.12 0.00 0.02 0.00 0.00 57.03 56.00 1phq h ASP 107 Cb 0.17 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1phq h ASP 107 CO 0.01 1.82 -0.35 0.58 -1.72 0.00 0.00 179.24 179.58 1phq h VAL 108 N 0.00 1.29 -4.12 -1.35 2.07 -1.35 -3.47 116.25 109.33 1phq h VAL 108 Ca -0.40 -1.48 -0.16 0.00 0.82 0.00 0.00 66.70 65.47 1phq h VAL 108 Cb 2.00 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 1phq h VAL 108 CO 0.09 0.47 -0.12 1.33 0.02 0.00 0.00 177.57 179.36 1phq n VAL 109 N -4.06 0.00 -0.05 2.57 0.24 -0.26 -4.78 118.33 111.99 1phq n VAL 109 Ca -0.01 -0.60 -0.10 0.00 -2.04 0.00 0.00 64.34 61.58 1phq n VAL 109 Cb 0.48 0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 1phq n VAL 109 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1phq n ASP 110 N -1.23 1.32 -4.26 -1.34 8.00 -1.00 -4.79 116.55 113.24 1phq n ASP 110 Ca -0.05 0.21 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 1phq n ASP 110 Cb 0.16 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.67 1phq n ASP 110 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1phq s VAL 111 N -2.39 4.37 0.79 2.53 1.01 -1.06 -4.12 120.40 121.54 1phq s VAL 111 Ca -0.18 -1.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.18 1phq s VAL 111 Cb 0.05 -3.75 0.18 0.00 0.00 0.00 0.00 36.38 32.86 1phq s VAL 111 CO 0.25 -0.63 1.07 2.30 0.00 0.00 0.00 175.10 178.09 1phq n ILE 112 N 4.96 0.00 -3.65 2.22 -6.64 -1.10 -2.05 119.36 113.10 1phq n ILE 112 Ca -0.10 -0.95 -0.14 0.00 -1.77 0.00 0.00 62.75 59.80 1phq n ILE 112 Cb 0.42 -1.45 -0.07 0.00 -1.44 0.00 0.00 39.64 37.11 1phq n ILE 112 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 1phq s GLN 113 N -5.31 0.91 -0.20 6.28 0.74 -0.45 -3.18 119.66 118.45 1phq s GLN 113 Ca 0.62 -0.21 -0.05 0.00 0.05 0.00 0.00 55.36 55.77 1phq s GLN 113 Cb -0.02 0.41 -0.02 0.00 1.10 0.00 0.00 33.01 34.48 1phq s GLN 113 CO 0.43 -0.30 -0.00 -1.17 -0.55 0.00 0.00 175.29 173.70 1phq s LEU 114 N -1.74 3.25 0.50 3.68 2.96 0.18 -2.61 118.68 124.89 1phq s LEU 114 Ca -0.08 -0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 53.42 1phq s LEU 114 Cb -0.02 -1.82 -0.07 0.00 0.50 0.00 0.00 46.19 44.78 1phq s LEU 114 CO 0.01 0.06 1.13 -2.84 -1.32 0.00 0.00 176.35 173.39 1phq s PRO 115 N 1.02 3.56 0.09 0.98 0.02 -1.26 -2.97 135.00 136.44 1phq s PRO 115 Ca 0.02 1.64 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 1phq s PRO 115 Cb -0.14 -2.17 -0.14 0.00 0.02 0.00 0.00 34.50 32.07 1phq s PRO 115 CO 0.02 -0.68 1.50 0.00 -0.33 0.00 0.00 177.00 177.50 1phq h ALA 116 N 1.57 -1.00 0.00 -1.55 0.00 -1.94 -1.34 119.26 115.00 1phq h ALA 116 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1phq h ALA 116 Cb 1.25 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1phq h ALA 116 CO 0.58 -1.09 0.48 1.19 0.00 0.00 0.00 179.25 180.41 1phq n PHE 117 N -5.17 0.19 0.21 0.00 3.72 -1.26 0.49 117.46 115.65 1phq n PHE 117 Ca -0.09 0.10 0.03 0.00 -0.05 0.00 0.00 57.45 57.44 1phq n PHE 117 Cb 0.38 -0.32 0.02 0.00 -0.94 0.00 0.00 39.48 38.62 1phq n PHE 117 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1phq n LEU 118 N -1.78 1.33 0.32 4.37 4.77 -0.56 -4.68 117.00 120.78 1phq n LEU 118 Ca -0.00 -0.96 0.04 0.00 -0.03 0.00 0.00 56.01 55.06 1phq n LEU 118 Cb 0.49 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.82 1phq n LEU 118 CO 0.03 0.28 1.01 0.00 -1.33 0.00 0.00 177.39 177.38 1phq h ALA 119 N 0.97 1.76 -0.39 -1.18 0.00 0.59 0.36 119.26 121.36 1phq h ALA 119 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1phq h ALA 119 Cb 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.77 1phq h ALA 119 CO 0.00 -0.76 -0.67 0.54 0.00 0.00 0.00 179.25 178.36 1phq n ARG 120 N -2.54 2.64 -3.46 0.00 1.74 -1.26 -4.92 116.66 108.86 1phq n ARG 120 Ca -0.01 -3.76 -0.43 0.00 -0.77 0.00 0.00 57.85 52.89 1phq n ARG 120 Cb 0.79 -1.96 -0.04 0.00 -1.02 0.00 0.00 32.46 30.23 1phq n ARG 120 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1phq s GLN 121 N -3.42 3.35 0.00 5.56 -1.52 0.13 -4.99 119.66 118.77 1phq s GLN 121 Ca 0.45 -2.61 0.00 0.00 -1.95 0.00 0.00 55.36 51.24 1phq s GLN 121 Cb 0.39 -4.22 0.00 0.00 -0.22 0.00 0.00 33.01 28.97 1phq s GLN 121 CO -0.01 -1.25 0.47 2.41 -0.25 0.00 0.00 175.29 176.66 1phq n THR 122 N 3.60 0.00 -0.26 -0.19 -1.04 -1.26 -1.44 114.28 113.69 1phq n THR 122 Ca 0.14 0.86 0.13 0.00 -2.04 0.00 0.00 64.05 63.14 1phq n THR 122 Cb 0.43 -1.26 0.25 0.00 -1.82 0.00 0.00 70.33 67.94 1phq n THR 122 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1phq n ASP 123 N -1.28 -0.04 0.20 8.00 8.00 -1.26 0.86 116.55 131.03 1phq n ASP 123 Ca 0.00 1.28 0.08 0.00 0.71 0.00 0.00 54.79 56.87 1phq n ASP 123 Cb 0.00 -0.49 0.34 0.00 -0.02 0.00 0.00 41.12 40.95 1phq n ASP 123 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1phq h LEU 124 N 0.00 0.00 0.09 0.64 5.85 -1.64 -2.55 115.31 117.70 1phq h LEU 124 Ca 0.48 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.90 1phq h LEU 124 Cb 1.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1phq h LEU 124 CO -0.69 0.27 -1.57 0.58 -0.34 0.00 0.00 178.44 176.68 1phq h VAL 125 N 0.00 1.09 0.00 1.05 2.07 0.13 -2.08 116.25 118.51 1phq h VAL 125 Ca -0.00 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.74 1phq h VAL 125 Cb 0.91 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1phq h VAL 125 CO 0.03 0.78 0.00 -0.08 0.02 0.00 0.00 177.57 178.33 1phq h GLU 126 N 0.05 0.00 0.08 1.57 4.81 -0.97 0.33 114.58 120.45 1phq h GLU 126 Ca -0.25 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.63 1phq h GLU 126 Cb 2.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.35 1phq h GLU 126 CO 0.14 0.00 -1.98 0.00 -0.73 0.00 0.00 179.01 176.43 1phq n ALA 127 N -1.89 0.97 0.30 2.92 0.00 -0.97 -3.77 120.51 118.07 1phq n ALA 127 Ca 0.01 -0.68 0.17 0.00 0.00 0.00 0.00 53.44 52.94 1phq n ALA 127 Cb 0.22 -0.52 0.72 0.00 0.00 0.00 0.00 19.45 19.87 1phq n ALA 127 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1phq h MET 128 N -0.17 0.00 -0.41 0.00 2.86 -0.94 -1.61 114.93 114.66 1phq h MET 128 Ca -0.45 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.14 1phq h MET 128 Cb 1.87 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.51 1phq h MET 128 CO -0.02 0.00 0.04 0.00 1.06 0.00 0.00 176.91 178.00 1phq h ALA 129 N 2.03 1.32 -0.83 6.32 0.00 -0.45 -3.27 119.26 124.38 1phq h ALA 129 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1phq h ALA 129 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1phq h ALA 129 CO 0.00 0.47 0.00 1.63 0.00 0.00 0.00 179.25 181.35 1phq n LYS 130 N -4.28 0.00 -0.03 0.00 5.02 -0.60 -3.33 118.16 114.93 1phq n LYS 130 Ca 0.02 0.39 0.02 0.00 -2.02 0.00 0.00 58.31 56.73 1phq n LYS 130 Cb 0.24 -1.36 0.04 0.00 -0.02 0.00 0.00 35.03 33.93 1phq n LYS 130 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1phq n THR 131 N -1.64 -0.04 -0.95 -0.18 5.66 -1.23 -4.64 114.28 111.26 1phq n THR 131 Ca 0.00 0.21 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1phq n THR 131 Cb 0.00 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1phq n THR 131 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1phq n GLY 132 N -1.04 0.18 3.84 1.09 0.00 -1.21 -4.96 105.19 103.10 1phq n GLY 132 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1phq n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1phq s ALA 133 N -1.40 3.60 0.31 4.61 0.00 -1.26 -4.93 121.76 122.68 1phq s ALA 133 Ca 0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 1phq s ALA 133 Cb 0.00 -2.51 -0.13 0.00 0.00 0.00 0.00 23.12 20.48 1phq s ALA 133 CO 0.00 0.46 0.14 0.28 0.00 0.00 0.00 175.76 176.64 1phq n VAL 134 N 1.02 0.76 -4.23 0.00 0.31 -1.26 -4.78 118.33 110.15 1phq n VAL 134 Ca -0.07 -0.42 -0.20 0.00 -0.01 0.00 0.00 64.34 63.64 1phq n VAL 134 Cb 0.52 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.32 1phq n VAL 134 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1phq s ILE 135 N -1.30 1.32 -0.16 2.52 -1.09 -0.84 -2.72 121.20 118.93 1phq s ILE 135 Ca 0.50 -1.36 0.01 0.00 -2.23 0.00 0.00 60.65 57.57 1phq s ILE 135 Cb -0.58 -1.23 0.02 0.00 -1.58 0.00 0.00 42.46 39.09 1phq s ILE 135 CO 0.52 -0.14 -0.16 0.21 -1.23 0.00 0.00 174.94 174.13 1phq s ASN 136 N -1.73 2.88 -0.51 3.58 3.04 -1.19 -0.15 114.94 120.86 1phq s ASN 136 Ca 0.01 -0.57 -0.14 0.00 0.04 0.00 0.00 52.86 52.20 1phq s ASN 136 Cb -0.10 -1.30 0.11 0.00 -1.54 0.00 0.00 41.25 38.43 1phq s ASN 136 CO 0.03 -0.04 0.44 -0.69 -3.04 0.00 0.00 177.10 173.80 1phq s VAL 137 N 1.41 5.00 0.15 -5.21 1.01 0.18 0.47 120.40 123.39 1phq s VAL 137 Ca 0.05 -1.44 -0.31 0.00 0.00 0.00 0.00 61.98 60.28 1phq s VAL 137 Cb -0.13 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1phq s VAL 137 CO -0.11 -0.77 1.30 -0.54 0.00 0.00 0.00 175.10 174.98 1phq s LYS 138 N 1.56 4.39 -0.37 2.72 -0.14 -1.16 -1.71 119.74 125.03 1phq s LYS 138 Ca 0.04 1.99 -0.27 0.00 -1.36 0.00 0.00 55.97 56.36 1phq s LYS 138 Cb -0.28 -3.24 0.02 0.00 -1.68 0.00 0.00 37.83 32.65 1phq s LYS 138 CO 0.03 -0.29 0.99 0.21 -0.76 0.00 0.00 175.35 175.53 1phq s LYS 139 N 0.47 3.88 0.32 1.68 2.20 0.80 -4.11 119.74 124.99 1phq s LYS 139 Ca 0.59 0.70 -0.28 0.00 -0.36 0.00 0.00 55.97 56.63 1phq s LYS 139 Cb -0.35 -3.80 -0.13 0.00 -1.51 0.00 0.00 37.83 32.04 1phq s LYS 139 CO 0.34 -0.99 1.14 -2.30 -0.36 0.00 0.00 175.35 173.18 1phq n PRO 140 N 6.94 1.72 -0.12 4.03 -0.02 -1.26 -4.34 135.00 141.96 1phq n PRO 140 Ca 0.09 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.23 1phq n PRO 140 Cb 0.48 -2.09 0.38 0.00 -0.02 0.00 0.00 33.50 32.25 1phq n PRO 140 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1phq h GLN 141 N 2.22 0.66 -0.91 -0.52 7.50 -1.89 -2.65 115.11 119.51 1phq h GLN 141 Ca -0.43 -0.04 -0.15 0.00 0.50 0.00 0.00 58.65 58.53 1phq h GLN 141 Cb 1.31 -0.15 -0.09 0.00 0.05 0.00 0.00 27.48 28.61 1phq h GLN 141 CO 0.61 0.43 0.19 1.97 -1.50 0.00 0.00 178.83 180.53 1phq n PHE 142 N -4.47 1.33 -4.30 2.96 -1.74 -1.26 -2.92 117.46 107.07 1phq n PHE 142 Ca 0.08 -0.83 -0.21 0.00 -0.56 0.00 0.00 57.45 55.94 1phq n PHE 142 Cb 0.17 -0.47 -0.16 0.00 1.52 0.00 0.00 39.48 40.54 1phq n PHE 142 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1phq s VAL 143 N -1.75 0.70 0.42 1.97 1.01 -1.00 -5.10 120.40 116.65 1phq s VAL 143 Ca 0.28 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 1phq s VAL 143 Cb 0.23 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 35.85 1phq s VAL 143 CO 0.07 0.25 1.25 -0.94 0.00 0.00 0.00 175.10 175.73 1phq s SER 144 N 0.71 6.25 0.25 3.32 1.04 -1.26 -4.84 113.70 119.16 1phq s SER 144 Ca -0.11 2.53 -0.04 0.00 0.48 0.00 0.00 55.95 58.82 1phq s SER 144 Cb -0.14 -2.63 0.43 0.00 0.10 0.00 0.00 66.02 63.79 1phq s SER 144 CO 0.01 -0.88 1.79 1.55 0.98 0.00 0.00 173.24 176.69 1phq h PRO 145 N 2.47 0.69 0.00 4.02 0.13 -1.96 -1.25 132.00 136.10 1phq h PRO 145 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1phq h PRO 145 Cb 1.25 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1phq h PRO 145 CO 0.62 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 1phq n GLY 146 N -1.32 -0.10 0.73 1.56 0.00 -1.26 -1.03 105.19 103.77 1phq n GLY 146 Ca 0.14 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1phq n GLY 146 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1phq n GLN 147 N -1.00 1.89 0.00 1.61 1.13 -0.47 -4.34 117.38 116.20 1phq n GLN 147 Ca 0.02 -1.46 0.08 0.00 -1.94 0.00 0.00 57.00 53.70 1phq n GLN 147 Cb 0.01 -1.47 0.39 0.00 0.11 0.00 0.00 30.24 29.28 1phq n GLN 147 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1phq n MET 148 N 0.72 0.12 0.06 -1.09 2.81 -0.19 -3.48 117.12 116.06 1phq n MET 148 Ca 0.14 0.17 -0.11 0.00 -1.81 0.00 0.00 57.70 56.09 1phq n MET 148 Cb 0.51 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.44 1phq n MET 148 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1phq h GLY 149 N 2.82 -0.23 -0.08 3.03 0.00 -1.76 -2.82 103.07 104.03 1phq h GLY 149 Ca 0.00 0.08 0.23 0.00 0.00 0.00 0.00 47.33 47.64 1phq h GLY 149 CO 0.00 -0.08 0.58 3.43 0.00 0.00 0.00 176.54 180.47 1phq h ASN 150 N -0.81 0.68 -0.50 0.19 2.35 -1.87 0.74 115.58 116.35 1phq h ASN 150 Ca -0.02 0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 1phq h ASN 150 Cb 0.53 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1phq h ASN 150 CO 0.04 0.14 -0.19 0.40 -1.65 0.00 0.00 177.43 176.17 1phq h ILE 151 N 0.61 1.27 -0.19 2.81 5.03 -1.72 -1.44 117.51 123.88 1phq h ILE 151 Ca 0.62 -1.36 -0.17 0.00 -0.12 0.00 0.00 64.86 63.84 1phq h ILE 151 Cb 1.13 1.08 -0.00 0.00 -3.03 0.00 0.00 36.82 35.99 1phq h ILE 151 CO -0.46 0.47 -0.58 0.58 -0.68 0.00 0.00 178.15 177.48 1phq h VAL 152 N 0.88 1.32 0.74 1.67 2.07 -0.12 -2.83 116.25 119.98 1phq h VAL 152 Ca 0.12 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 1phq h VAL 152 Cb 0.77 1.80 0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1phq h VAL 152 CO 0.06 0.57 -0.35 0.44 0.02 0.00 0.00 177.57 178.31 1phq h ASP 153 N 0.45 -0.84 -1.16 0.57 3.32 0.37 -2.26 116.42 116.88 1phq h ASP 153 Ca 0.00 0.03 0.38 0.00 0.02 0.00 0.00 57.03 57.46 1phq h ASP 153 Cb 1.14 0.22 -0.14 0.00 0.22 0.00 0.00 39.33 40.77 1phq h ASP 153 CO 0.11 -0.55 0.72 0.11 -1.72 0.00 0.00 179.24 177.90 1phq h LYS 154 N -1.09 0.17 -0.56 3.56 1.57 -1.32 1.28 116.57 120.19 1phq h LYS 154 Ca -0.10 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 1phq h LYS 154 Cb 0.76 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1phq h LYS 154 CO 0.17 0.11 0.01 0.74 -0.57 0.00 0.00 179.45 179.91 1phq h PHE 155 N 0.18 1.07 0.81 -1.35 0.04 -1.23 -2.07 116.94 114.38 1phq h PHE 155 Ca 0.77 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 61.32 1phq h PHE 155 Cb 2.16 -0.28 0.01 0.00 2.20 0.00 0.00 35.95 40.04 1phq h PHE 155 CO -0.01 0.96 -0.39 -0.22 -0.60 0.00 0.00 178.31 178.05 1phq h LYS 156 N 0.86 -1.05 -0.79 1.51 3.64 0.21 -2.67 116.57 118.28 1phq h LYS 156 Ca 0.16 0.07 0.23 0.00 -1.27 0.00 0.00 60.65 59.84 1phq h LYS 156 Cb 0.53 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1phq h LYS 156 CO 0.03 -0.70 0.99 0.93 -2.27 0.00 0.00 179.45 178.42 1phq h GLU 157 N -1.14 0.00 -0.01 1.90 5.08 -0.84 1.25 114.58 120.82 1phq h GLU 157 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1phq h GLU 157 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1phq h GLU 157 CO 0.18 0.00 -0.29 0.41 -1.00 0.00 0.00 179.01 178.31 1phq n GLY 158 N -1.63 -0.71 0.00 -3.84 0.00 -0.79 -4.96 105.19 93.27 1phq n GLY 158 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1phq n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1phq n GLY 159 N 1.36 3.19 3.76 -0.02 0.00 0.43 -4.43 105.19 109.49 1phq n GLY 159 Ca 0.11 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 1phq n GLY 159 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1phq s ASN 160 N 0.00 7.15 -0.01 1.61 3.84 -1.06 -4.92 114.94 121.55 1phq s ASN 160 Ca 0.00 2.31 0.01 0.00 0.21 0.00 0.00 52.86 55.40 1phq s ASN 160 Cb 0.00 -2.63 0.02 0.00 -0.55 0.00 0.00 41.25 38.09 1phq s ASN 160 CO 0.00 -0.23 0.81 1.21 -2.79 0.00 0.00 177.10 176.10 1phq n GLU 161 N 1.03 0.19 -3.86 0.43 2.13 -1.26 -2.32 120.64 116.98 1phq n GLU 161 Ca -0.00 -0.91 -0.33 0.00 0.66 0.00 0.00 57.16 56.57 1phq n GLU 161 Cb 0.45 -0.57 -0.12 0.00 0.27 0.00 0.00 31.44 31.46 1phq n GLU 161 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1phq s LYS 162 N -0.20 2.06 0.09 5.31 -2.85 -1.26 -5.03 119.74 117.86 1phq s LYS 162 Ca 0.02 -2.30 0.07 0.00 -1.00 0.00 0.00 55.97 52.75 1phq s LYS 162 Cb 0.02 -3.47 -0.03 0.00 -2.06 0.00 0.00 37.83 32.28 1phq s LYS 162 CO 0.00 -1.09 -0.17 0.08 0.10 0.00 0.00 175.35 174.27 1phq s VAL 163 N 0.28 1.41 0.08 1.79 1.01 -1.26 -1.99 120.40 121.73 1phq s VAL 163 Ca 0.14 -1.46 0.07 0.00 0.00 0.00 0.00 61.98 60.73 1phq s VAL 163 Cb -0.22 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1phq s VAL 163 CO -0.03 -0.17 -0.20 -0.63 0.00 0.00 0.00 175.10 174.07 1phq s ILE 164 N -1.32 1.59 -0.23 2.22 1.01 0.78 -4.10 121.20 121.15 1phq s ILE 164 Ca 0.03 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.24 1phq s ILE 164 Cb -0.09 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1phq s ILE 164 CO 0.03 -0.04 -0.08 -0.76 0.00 0.00 0.00 174.94 174.10 1phq s LEU 165 N -1.72 2.92 -0.17 2.97 1.43 0.37 0.47 118.68 124.95 1phq s LEU 165 Ca 0.05 -0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 52.37 1phq s LEU 165 Cb -0.10 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1phq s LEU 165 CO 0.03 -0.08 0.08 0.00 0.23 0.00 0.00 176.35 176.61 1phq s ASP 167 N 0.13 5.99 -0.34 0.00 2.15 0.17 -0.14 116.67 124.62 1phq s ASP 167 Ca 0.06 0.19 0.12 0.00 0.43 0.00 0.00 52.55 53.35 1phq s ASP 167 Cb -0.12 -2.03 0.46 0.00 -0.30 0.00 0.00 42.92 40.93 1phq s ASP 167 CO 0.00 0.20 1.10 -2.11 -0.17 0.00 0.00 175.17 174.19 1phq n ARG 168 N 3.41 2.66 -1.07 4.34 -4.01 -1.26 -0.15 116.66 120.57 1phq n ARG 168 Ca -0.16 -3.95 0.14 0.00 -1.04 0.00 0.00 57.85 52.84 1phq n ARG 168 Cb 0.52 -1.92 -0.05 0.00 -3.04 0.00 0.00 32.46 27.98 1phq n ARG 168 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1phq n GLY 169 N -0.48 -2.31 2.99 2.89 0.00 -1.26 -4.50 105.19 102.52 1phq n GLY 169 Ca 0.28 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 1phq n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1phq s ALA 170 N -2.71 0.49 0.08 4.61 0.00 0.70 -4.44 121.76 120.48 1phq s ALA 170 Ca 0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 51.96 51.21 1phq s ALA 170 Cb 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 23.12 22.87 1phq s ALA 170 CO 0.00 0.07 0.98 0.09 0.00 0.00 0.00 175.76 176.90 1phq n ASN 171 N 2.51 0.02 -3.41 0.00 3.02 -1.15 -2.08 115.26 114.17 1phq n ASN 171 Ca -0.16 1.15 -0.27 0.00 -0.03 0.00 0.00 54.58 55.27 1phq n ASN 171 Cb 0.57 -0.99 -0.10 0.00 -0.61 0.00 0.00 39.78 38.65 1phq n ASN 171 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1phq s PHE 172 N -0.22 1.10 0.00 3.10 5.36 -0.13 -4.83 117.98 122.36 1phq s PHE 172 Ca 0.82 -2.30 0.00 0.00 -0.96 0.00 0.00 56.93 54.49 1phq s PHE 172 Cb -1.11 -0.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.62 1phq s PHE 172 CO 0.55 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.90 1phq n GLY 173 N 2.92 -1.11 3.81 13.12 0.00 -1.26 -4.43 105.19 118.23 1phq n GLY 173 Ca 0.28 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1phq n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1phq s TYR 174 N 0.00 3.62 -1.23 1.61 2.02 -1.26 -4.46 117.35 117.64 1phq s TYR 174 Ca 0.00 0.79 -0.02 0.00 -0.37 0.00 0.00 57.07 57.47 1phq s TYR 174 Cb 0.00 -2.26 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1phq s TYR 174 CO 0.00 0.52 0.82 -0.25 -1.57 0.00 0.00 175.55 175.07 1phq n ASP 175 N 2.47 -2.29 -3.62 2.29 8.00 -1.26 -4.99 116.55 117.15 1phq n ASP 175 Ca -0.14 -0.76 -0.11 0.00 0.71 0.00 0.00 54.79 54.49 1phq n ASP 175 Cb 0.53 -4.47 -0.07 0.00 -0.02 0.00 0.00 41.12 37.09 1phq n ASP 175 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1phq s ASN 176 N -4.20 -0.52 0.03 -2.24 3.04 -1.26 -5.06 114.94 104.74 1phq s ASN 176 Ca 0.08 0.92 0.08 0.00 0.04 0.00 0.00 52.86 53.99 1phq s ASN 176 Cb -0.02 0.91 -0.03 0.00 -1.54 0.00 0.00 41.25 40.58 1phq s ASN 176 CO 0.78 -0.22 -0.24 -0.76 -3.04 0.00 0.00 177.10 173.62 1phq s LEU 177 N 0.01 2.14 -0.00 3.21 1.43 -1.26 -0.95 118.68 123.25 1phq s LEU 177 Ca 0.01 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1phq s LEU 177 Cb -0.04 -1.17 -0.00 0.00 0.03 0.00 0.00 46.19 45.00 1phq s LEU 177 CO -0.03 0.23 -0.04 0.54 0.23 0.00 0.00 176.35 177.29 1phq s VAL 178 N -0.75 0.33 -0.44 -1.59 0.11 -0.89 -4.90 120.40 112.27 1phq s VAL 178 Ca 0.10 -0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 58.80 1phq s VAL 178 Cb -0.09 -0.29 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1phq s VAL 178 CO 0.01 0.10 0.50 -0.69 -3.33 0.00 0.00 175.10 171.70 1phq s VAL 179 N -0.04 5.01 -0.29 2.04 1.01 -1.26 -0.22 120.40 126.66 1phq s VAL 179 Ca 0.01 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1phq s VAL 179 Cb -0.02 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1phq s VAL 179 CO -0.00 -0.54 1.68 -0.62 0.00 0.00 0.00 175.10 175.62 1phq s ASP 180 N 2.06 6.15 0.55 3.32 -1.08 -1.26 -4.83 116.67 121.57 1phq s ASP 180 Ca 0.14 1.40 0.33 0.00 -0.52 0.00 0.00 52.55 53.90 1phq s ASP 180 Cb -0.17 -2.53 1.52 0.00 -1.46 0.00 0.00 42.92 40.28 1phq s ASP 180 CO 0.14 -1.48 2.06 0.24 0.52 0.00 0.00 175.17 176.64 1phq h MET 181 N 11.72 0.00 0.00 4.34 2.86 -2.01 -1.48 114.93 130.36 1phq h MET 181 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1phq h MET 181 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1phq h MET 181 CO 1.02 0.06 0.00 1.28 1.06 0.00 0.00 176.91 180.34 1phq n LEU 182 N -3.27 0.00 0.29 1.22 4.77 -1.26 -3.80 117.00 114.95 1phq n LEU 182 Ca -0.01 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1phq n LEU 182 Cb 0.26 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1phq n LEU 182 CO 0.27 -0.01 0.36 1.23 -1.33 0.00 0.00 177.39 177.92 1phq h GLY 183 N 4.55 -0.82 -0.85 -0.72 0.00 -1.65 -3.11 103.07 100.47 1phq h GLY 183 Ca 0.00 0.30 0.12 0.00 0.00 0.00 0.00 47.33 47.75 1phq h GLY 183 CO 0.00 -0.30 -0.37 0.69 0.00 0.00 0.00 176.54 176.56 1phq n PHE 184 N -5.30 -0.06 0.23 5.60 3.72 -1.25 -0.33 117.46 120.06 1phq n PHE 184 Ca -0.10 1.05 -0.15 0.00 -0.05 0.00 0.00 57.45 58.19 1phq n PHE 184 Cb 0.32 -0.76 -0.08 0.00 -0.94 0.00 0.00 39.48 38.03 1phq n PHE 184 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1phq h SER 185 N 0.00 -0.87 -0.80 4.37 0.02 -1.79 -0.91 113.55 113.57 1phq h SER 185 Ca 0.26 0.07 0.20 0.00 -0.84 0.00 0.00 61.79 61.48 1phq h SER 185 Cb 0.47 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 1phq h SER 185 CO -0.83 -0.47 0.55 0.40 -1.14 0.00 0.00 176.83 175.34 1phq h ILE 186 N -0.71 0.68 -0.01 3.27 2.04 -0.81 0.11 117.51 122.08 1phq h ILE 186 Ca -0.03 -0.08 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 1phq h ILE 186 Cb 0.63 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1phq h ILE 186 CO -0.04 0.04 -0.70 0.24 0.00 0.00 0.00 178.15 177.69 1phq h MET 187 N 0.23 0.08 0.82 2.37 2.86 0.07 -3.24 114.93 118.13 1phq h MET 187 Ca 0.40 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.93 1phq h MET 187 Cb 1.21 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1phq h MET 187 CO -0.09 0.75 -0.44 0.87 1.06 0.00 0.00 176.91 179.06 1phq h LYS 188 N 0.05 -1.12 0.00 1.72 1.57 0.58 -3.26 116.57 116.11 1phq h LYS 188 Ca -0.01 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1phq h LYS 188 Cb 1.25 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1phq h LYS 188 CO 0.10 -0.75 0.00 1.17 -0.57 0.00 0.00 179.45 179.40 1phq n LYS 189 N -5.60 0.00 0.33 3.15 4.81 -1.12 -0.45 118.16 119.28 1phq n LYS 189 Ca -0.15 0.47 0.10 0.00 -0.87 0.00 0.00 58.31 57.86 1phq n LYS 189 Cb 0.47 -0.95 0.55 0.00 0.02 0.00 0.00 35.03 35.12 1phq n LYS 189 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1phq h VAL 190 N 0.00 0.00 -0.03 3.15 -1.51 -1.69 0.13 116.25 116.30 1phq h VAL 190 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1phq h VAL 190 Cb 0.00 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 29.60 1phq h VAL 190 CO 0.00 0.00 -0.04 -1.54 -1.23 0.00 0.00 177.57 174.76 1phq n SER 191 N -2.75 2.75 -0.55 4.19 3.41 -1.03 -4.21 113.62 115.44 1phq n SER 191 Ca -0.01 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1phq n SER 191 Cb 0.58 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1phq n SER 191 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1phq n GLY 192 N 1.34 0.72 2.35 5.00 0.00 0.44 -3.90 105.19 111.15 1phq n GLY 192 Ca 0.14 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1phq n GLY 192 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1phq n ASN 193 N 0.23 -4.37 -4.41 1.61 3.02 0.40 -4.66 115.26 107.09 1phq n ASN 193 Ca 0.00 0.20 -0.29 0.00 -0.03 0.00 0.00 54.58 54.46 1phq n ASN 193 Cb 0.37 -3.77 0.24 0.00 -0.61 0.00 0.00 39.78 36.01 1phq n ASN 193 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1phq n SER 194 N -1.53 -1.97 -4.72 6.41 2.88 -1.25 -3.14 113.62 110.30 1phq n SER 194 Ca -0.17 -0.16 -0.42 0.00 -1.33 0.00 0.00 58.87 56.79 1phq n SER 194 Cb 0.59 -1.17 -0.03 0.00 -0.75 0.00 0.00 64.21 62.86 1phq n SER 194 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1phq s PRO 195 N -4.12 4.28 -0.11 -1.46 0.02 -1.26 -4.79 135.00 127.57 1phq s PRO 195 Ca 0.65 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.87 1phq s PRO 195 Cb -0.22 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 1phq s PRO 195 CO 0.66 -0.49 -0.15 0.08 -0.33 0.00 0.00 177.00 176.77 1phq s VAL 196 N 1.00 2.94 0.05 3.83 1.01 -1.26 -0.48 120.40 127.50 1phq s VAL 196 Ca 0.66 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1phq s VAL 196 Cb -0.40 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1phq s VAL 196 CO 0.32 0.54 -0.07 0.27 0.00 0.00 0.00 175.10 176.16 1phq s ILE 197 N 0.08 0.53 -0.24 2.22 -4.36 0.65 -0.16 121.20 119.92 1phq s ILE 197 Ca -0.06 -1.30 -0.09 0.00 -0.26 0.00 0.00 60.65 58.93 1phq s ILE 197 Cb -0.15 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 1phq s ILE 197 CO 0.05 -0.53 0.13 0.12 0.24 0.00 0.00 174.94 174.94 1phq s PHE 198 N -2.03 3.24 -1.03 1.37 5.36 -0.89 0.44 117.98 124.44 1phq s PHE 198 Ca -0.05 0.05 -0.12 0.00 -0.96 0.00 0.00 56.93 55.85 1phq s PHE 198 Cb -0.06 -2.25 0.22 0.00 -0.34 0.00 0.00 43.02 40.60 1phq s PHE 198 CO -0.01 -0.04 1.08 0.34 -1.46 0.00 0.00 175.22 175.12 1phq s ASP 199 N 1.17 7.04 0.02 6.13 -1.08 0.78 -0.92 116.67 129.82 1phq s ASP 199 Ca 0.06 -3.05 -0.25 0.00 -0.52 0.00 0.00 52.55 48.79 1phq s ASP 199 Cb -0.14 -2.27 -0.17 0.00 -1.46 0.00 0.00 42.92 38.88 1phq s ASP 199 CO 0.05 -0.54 1.38 1.62 0.52 0.00 0.00 175.17 178.19 1phq h VAL 200 N 4.41 0.95 -0.32 1.11 3.04 -1.80 -1.60 116.25 122.04 1phq h VAL 200 Ca 0.18 -0.60 0.09 0.00 -1.01 0.00 0.00 66.70 65.37 1phq h VAL 200 Cb 0.94 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 1phq h VAL 200 CO 0.99 0.14 0.36 0.71 -1.01 0.00 0.00 177.57 178.76 1phq h THR 201 N -0.52 0.39 0.00 3.17 1.35 -1.81 0.19 112.91 115.69 1phq h THR 201 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1phq h THR 201 Cb 0.40 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1phq h THR 201 CO 0.04 0.00 -0.86 0.45 -0.25 0.00 0.00 175.52 174.90 1phq h HIS 202 N 0.00 0.00 0.00 4.73 3.86 -1.78 -2.34 115.15 119.62 1phq h HIS 202 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1phq h HIS 202 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1phq h HIS 202 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1phq n ALA 203 N -2.16 2.25 0.85 2.45 0.00 0.63 -2.67 120.51 121.86 1phq n ALA 203 Ca 0.01 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1phq n ALA 203 Cb 0.54 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 1phq n ALA 203 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1phq n LEU 204 N -1.47 1.70 0.00 0.00 4.77 -1.03 -4.76 117.00 116.21 1phq n LEU 204 Ca 0.07 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1phq n LEU 204 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1phq n LEU 204 CO 0.24 0.33 0.00 0.00 -1.33 0.00 0.00 177.39 176.63 1phq n GLN 205 N -0.24 0.00 0.00 3.23 6.02 -1.09 -4.84 117.38 120.46 1phq n GLN 205 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1phq n GLN 205 Cb 0.39 -0.56 0.00 0.00 1.02 0.00 0.00 30.24 31.08 1phq n GLN 205 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1phq n ARG 218 N 0.00 0.00 0.04 -1.09 1.74 -1.26 -4.03 116.66 112.06 1phq n ARG 218 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 1phq n ARG 218 Cb 0.00 0.00 0.46 0.00 -1.02 0.00 0.00 32.46 31.90 1phq n ARG 218 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1phq n ALA 219 N -1.57 1.99 0.21 7.54 0.00 -1.26 -3.02 120.51 124.41 1phq n ALA 219 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1phq n ALA 219 Cb 0.00 -1.38 0.38 0.00 0.00 0.00 0.00 19.45 18.45 1phq n ALA 219 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1phq h GLN 220 N 0.00 0.00 -1.02 0.00 4.20 -2.04 -3.30 115.11 112.95 1phq h GLN 220 Ca 0.00 0.00 0.29 0.00 0.06 0.00 0.00 58.65 59.00 1phq h GLN 220 Cb 0.44 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.09 1phq h GLN 220 CO 0.00 0.24 0.60 0.28 -0.67 0.00 0.00 178.83 179.28 1phq h VAL 221 N 0.00 0.42 0.00 -0.54 2.07 -1.94 -0.19 116.25 116.07 1phq h VAL 221 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1phq h VAL 221 Cb 0.86 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1phq h VAL 221 CO 0.03 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1phq n ALA 222 N -2.32 -0.14 -0.32 1.67 0.00 -1.24 -2.31 120.51 115.84 1phq n ALA 222 Ca 0.29 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.93 1phq n ALA 222 Cb 0.88 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.71 1phq n ALA 222 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1phq h GLU 223 N 0.00 0.10 -0.11 0.00 4.11 -1.74 0.22 114.58 117.16 1phq h GLU 223 Ca 0.00 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.29 1phq h GLU 223 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1phq h GLU 223 CO 0.00 0.07 -0.50 1.25 0.07 0.00 0.00 179.01 179.89 1phq h LEU 224 N 0.10 0.32 0.00 3.06 7.12 -1.16 -2.85 115.31 121.91 1phq h LEU 224 Ca 0.66 -0.16 -0.06 0.00 0.13 0.00 0.00 57.88 58.46 1phq h LEU 224 Cb 1.49 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.52 1phq h LEU 224 CO -0.77 0.77 -0.28 0.00 -0.13 0.00 0.00 178.44 178.03 1phq h ALA 225 N 1.24 0.82 0.19 1.25 0.00 -0.30 -3.24 119.26 119.23 1phq h ALA 225 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1phq h ALA 225 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1phq h ALA 225 CO 0.08 0.34 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 1phq h ARG 226 N 0.00 -0.25 -0.28 0.00 3.08 -0.53 -3.00 114.38 113.41 1phq h ARG 226 Ca -0.00 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1phq h ARG 226 Cb 1.21 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 31.24 1phq h ARG 226 CO 0.04 0.08 -0.42 0.00 -1.07 0.00 0.00 179.97 178.60 1phq h ALA 227 N 0.09 -0.49 -0.92 0.04 0.00 -1.58 -0.92 119.26 115.48 1phq h ALA 227 Ca -0.03 0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.13 1phq h ALA 227 Cb 0.45 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1phq h ALA 227 CO 0.04 -0.88 0.61 0.78 0.00 0.00 0.00 179.25 179.80 1phq h GLY 228 N -0.40 0.82 1.37 0.00 0.00 -1.61 -1.91 103.07 101.35 1phq h GLY 228 Ca 0.11 -0.17 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 1phq h GLY 228 CO -0.49 -0.02 -0.64 -0.33 0.00 0.00 0.00 176.54 175.06 1phq h MET 229 N 0.36 0.64 0.00 4.80 2.07 -1.03 -3.15 114.93 118.62 1phq h MET 229 Ca 0.48 -0.45 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 1phq h MET 229 Cb 1.28 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 31.08 1phq h MET 229 CO -0.17 1.07 0.00 0.00 1.07 0.00 0.00 176.91 178.88 1phq n ALA 230 N -2.55 2.18 -0.00 6.32 0.00 -0.72 -1.27 120.51 124.47 1phq n ALA 230 Ca -0.05 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.43 1phq n ALA 230 Cb 0.66 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 1phq n ALA 230 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1phq n VAL 231 N -0.67 0.00 -0.58 0.00 0.31 -1.19 -5.07 118.33 111.13 1phq n VAL 231 Ca 0.05 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1phq n VAL 231 Cb 0.02 0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 1phq n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1phq n GLY 232 N 1.66 -1.01 3.47 2.92 0.00 -0.39 -5.06 105.19 106.78 1phq n GLY 232 Ca -0.03 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1phq n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1phq s LEU 233 N 0.00 2.12 -0.10 0.99 1.43 -1.26 -5.00 118.68 116.86 1phq s LEU 233 Ca 0.00 -1.45 0.06 0.00 -1.03 0.00 0.00 54.13 51.70 1phq s LEU 233 Cb 0.00 -0.32 0.35 0.00 0.03 0.00 0.00 46.19 46.25 1phq s LEU 233 CO 0.00 -0.69 1.03 0.00 0.23 0.00 0.00 176.35 176.92 1phq n ALA 234 N -0.75 3.09 0.00 4.21 0.00 0.77 -4.54 120.51 123.29 1phq n ALA 234 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1phq n ALA 234 Cb 0.66 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1phq n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1phq n GLY 235 N 0.26 0.63 3.86 0.00 0.00 -1.25 -2.48 105.19 106.22 1phq n GLY 235 Ca 0.12 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 1phq n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1phq s LEU 236 N 0.00 2.50 -0.33 0.99 1.02 -1.21 -2.09 118.68 119.56 1phq s LEU 236 Ca 0.00 -1.43 0.02 0.00 0.02 0.00 0.00 54.13 52.74 1phq s LEU 236 Cb 0.00 -0.98 0.15 0.00 0.02 0.00 0.00 46.19 45.38 1phq s LEU 236 CO 0.00 -1.05 0.37 0.12 0.02 0.00 0.00 176.35 175.81 1phq s PHE 237 N -2.83 -0.54 0.52 0.29 2.19 -0.09 -1.57 117.98 115.93 1phq s PHE 237 Ca 0.22 -0.36 0.04 0.00 0.33 0.00 0.00 56.93 57.15 1phq s PHE 237 Cb -0.01 -0.35 0.01 0.00 -1.31 0.00 0.00 43.02 41.36 1phq s PHE 237 CO 0.13 -0.97 0.21 -1.50 1.83 0.00 0.00 175.22 174.93 1phq s ILE 238 N 1.95 1.51 -0.10 3.12 2.07 -1.26 -3.43 121.20 125.06 1phq s ILE 238 Ca 0.13 -1.72 -0.14 0.00 -1.41 0.00 0.00 60.65 57.51 1phq s ILE 238 Cb -0.14 -2.24 0.03 0.00 0.13 0.00 0.00 42.46 40.25 1phq s ILE 238 CO -0.18 0.00 0.36 -1.61 -1.91 0.00 0.00 174.94 171.60 1phq s GLU 239 N -4.08 0.53 0.02 3.50 2.02 -1.26 -2.75 118.70 116.68 1phq s GLU 239 Ca 0.23 0.28 -0.08 0.00 0.02 0.00 0.00 54.97 55.41 1phq s GLU 239 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.48 1phq s GLU 239 CO 0.14 -0.10 0.17 0.00 0.02 0.00 0.00 175.26 175.48 1phq s ALA 240 N -0.34 -0.34 0.03 5.21 0.00 -1.19 0.15 121.76 125.28 1phq s ALA 240 Ca -0.05 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 51.74 1phq s ALA 240 Cb -0.03 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1phq s ALA 240 CO 0.02 -0.29 -0.14 -1.58 0.00 0.00 0.00 175.76 173.77 1phq s HIS 241 N -2.05 1.24 0.31 0.00 2.46 0.66 -4.72 115.29 113.19 1phq s HIS 241 Ca -0.09 -0.34 0.01 0.00 0.47 0.00 0.00 55.06 55.11 1phq s HIS 241 Cb -0.04 -0.74 0.49 0.00 -0.13 0.00 0.00 32.58 32.16 1phq s HIS 241 CO -0.01 0.03 1.87 -1.35 -2.47 0.00 0.00 174.74 172.81 1phq h PRO 242 N 5.04 0.76 -2.12 2.88 0.11 -1.96 -2.95 132.00 133.76 1phq h PRO 242 Ca -0.38 -0.13 -0.58 0.00 0.11 0.00 0.00 66.00 65.02 1phq h PRO 242 Cb 1.18 -0.13 -0.40 0.00 0.11 0.00 0.00 31.00 31.76 1phq h PRO 242 CO 0.45 0.66 -0.85 -3.47 -0.21 0.00 0.00 178.00 174.57 1phq n ASP 243 N -4.31 1.90 -0.00 -2.05 2.03 -1.26 -4.76 116.55 108.10 1phq n ASP 243 Ca 0.04 -3.05 -0.10 0.00 0.52 0.00 0.00 54.79 52.20 1phq n ASP 243 Cb 0.20 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.91 1phq n ASP 243 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1phq h PRO 244 N 4.14 -0.29 -0.98 -0.67 0.11 -1.88 -2.11 132.00 130.31 1phq h PRO 244 Ca 0.14 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.43 1phq h PRO 244 Cb 0.78 0.07 -0.16 0.00 0.11 0.00 0.00 31.00 31.79 1phq h PRO 244 CO 0.64 -0.20 -0.36 0.39 -0.21 0.00 0.00 178.00 178.26 1phq n GLU 245 N -5.37 -0.21 -0.06 1.05 1.02 -1.26 -0.21 120.64 115.60 1phq n GLU 245 Ca -0.03 1.52 -0.05 0.00 -0.02 0.00 0.00 57.16 58.58 1phq n GLU 245 Cb 0.29 -2.26 -0.05 0.00 -0.02 0.00 0.00 31.44 29.40 1phq n GLU 245 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1phq h HIS 246 N 0.00 0.00 0.00 -0.32 3.86 -1.96 -3.21 115.15 113.51 1phq h HIS 246 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1phq h HIS 246 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1phq h HIS 246 CO -0.85 0.38 0.02 0.00 0.86 0.00 0.00 177.93 178.34 1phq n ALA 247 N -2.75 1.15 -1.09 2.45 0.00 -0.81 -4.53 120.51 114.93 1phq n ALA 247 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 1phq n ALA 247 Cb 0.19 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1phq n ALA 247 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1phq n LYS 248 N -1.12 0.02 0.00 0.00 4.81 0.71 -4.76 118.16 117.82 1phq n LYS 248 Ca 0.00 -0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.03 1phq n LYS 248 Cb 0.02 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1phq n LYS 248 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1phq n ASP 250 N 0.00 0.59 0.00 0.00 8.00 -1.26 -5.03 116.55 118.85 1phq n ASP 250 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1phq n ASP 250 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1phq n ASP 250 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1phq n GLY 251 N 1.48 0.85 0.00 0.44 0.00 -1.26 -4.95 105.19 101.74 1phq n GLY 251 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1phq n GLY 251 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1phq n PRO 252 N 0.00 0.16 -3.65 1.61 -0.02 -1.26 -4.62 135.00 127.22 1phq n PRO 252 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 1phq n PRO 252 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.31 1phq n PRO 252 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1phq s SER 253 N -1.70 2.32 0.81 2.55 1.04 -0.88 -4.80 113.70 113.05 1phq s SER 253 Ca 0.00 -0.57 -0.12 0.00 0.48 0.00 0.00 55.95 55.74 1phq s SER 253 Cb 0.00 -0.32 0.08 0.00 0.10 0.00 0.00 66.02 65.88 1phq s SER 253 CO 0.00 -0.32 1.15 0.00 0.98 0.00 0.00 173.24 175.04 1phq s ALA 254 N 2.07 2.46 0.26 5.32 0.00 -1.26 -4.57 121.76 126.04 1phq s ALA 254 Ca 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1phq s ALA 254 Cb -0.16 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1phq s ALA 254 CO -0.08 -1.72 0.43 -1.17 0.00 0.00 0.00 175.76 173.22 1phq s LEU 255 N -5.66 4.18 -0.94 0.00 2.96 0.39 -4.65 118.68 114.96 1phq s LEU 255 Ca 0.62 0.33 -0.23 0.00 -0.22 0.00 0.00 54.13 54.63 1phq s LEU 255 Cb -0.12 -3.13 0.06 0.00 0.50 0.00 0.00 46.19 43.49 1phq s LEU 255 CO 0.51 -0.13 1.35 -2.84 -1.32 0.00 0.00 176.35 173.93 1phq s PRO 256 N -3.80 3.50 0.00 0.98 0.02 -1.26 -0.24 135.00 134.19 1phq s PRO 256 Ca 0.38 -1.04 0.00 0.00 0.02 0.00 0.00 61.00 60.36 1phq s PRO 256 Cb -0.10 -5.04 0.00 0.00 0.02 0.00 0.00 34.50 29.38 1phq s PRO 256 CO 0.31 -2.12 0.00 -0.11 -0.33 0.00 0.00 177.00 174.75 1phq n LEU 257 N 8.61 0.00 -0.27 -5.54 0.00 -1.11 0.11 117.00 118.79 1phq n LEU 257 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.28 1phq n LEU 257 Cb 0.50 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.99 1phq n LEU 257 CO 0.65 0.00 0.45 0.00 0.00 0.00 0.00 177.39 178.49 1phq n ALA 258 N -1.14 0.04 0.67 1.96 0.00 -1.26 0.15 120.51 120.92 1phq n ALA 258 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1phq n ALA 258 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1phq n ALA 258 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1phq n LYS 259 N -5.13 0.38 0.50 0.00 4.76 0.29 -3.98 118.16 114.98 1phq n LYS 259 Ca 0.10 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.34 1phq n LYS 259 Cb 0.33 -1.04 -0.09 0.00 -1.84 0.00 0.00 35.03 32.39 1phq n LYS 259 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1phq h LEU 260 N 0.13 -1.08 0.11 -0.35 6.46 0.13 -3.03 115.31 117.68 1phq h LEU 260 Ca 0.00 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1phq h LEU 260 Cb 0.04 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1phq h LEU 260 CO 0.00 -0.76 -0.11 -0.08 -0.62 0.00 0.00 178.44 176.87 1phq h GLU 261 N -1.31 -0.22 -0.41 1.25 4.81 -1.80 0.28 114.58 117.18 1phq h GLU 261 Ca -0.13 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1phq h GLU 261 Cb 0.98 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1phq h GLU 261 CO 0.21 -0.14 0.63 -1.00 -0.73 0.00 0.00 179.01 177.98 1phq h PRO 262 N -0.23 0.00 0.06 0.92 0.13 -1.85 0.52 132.00 131.55 1phq h PRO 262 Ca -0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.96 1phq h PRO 262 Cb 0.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.34 1phq h PRO 262 CO -0.02 0.00 -0.65 0.35 -0.23 0.00 0.00 178.00 177.46 1phq h PHE 263 N 0.00 0.53 0.00 1.56 3.57 -1.34 -3.27 116.94 118.00 1phq h PHE 263 Ca 0.19 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1phq h PHE 263 Cb 1.45 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1phq h PHE 263 CO 0.00 1.20 0.00 1.28 -2.23 0.00 0.00 178.31 178.56 1phq n LEU 264 N -4.21 0.58 0.10 0.59 4.77 0.17 -1.49 117.00 117.51 1phq n LEU 264 Ca -0.12 0.66 -0.05 0.00 -0.03 0.00 0.00 56.01 56.48 1phq n LEU 264 Cb 0.72 -0.61 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1phq n LEU 264 CO 0.47 -0.59 0.31 0.11 -1.33 0.00 0.00 177.39 176.35 1phq h LYS 265 N 0.00 0.02 -0.97 3.23 1.57 -1.41 -3.01 116.57 116.02 1phq h LYS 265 Ca 0.00 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1phq h LYS 265 Cb 0.29 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1phq h LYS 265 CO 0.00 0.83 0.64 1.96 -0.57 0.00 0.00 179.45 182.31 1phq h GLN 266 N 0.01 1.25 0.09 3.15 1.08 -1.36 -2.54 115.11 116.78 1phq h GLN 266 Ca -0.01 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1phq h GLN 266 Cb 1.44 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1phq h GLN 266 CO 0.11 0.83 -0.04 0.52 -0.95 0.00 0.00 178.83 179.29 1phq h MET 267 N 1.29 -0.11 -0.25 1.46 2.86 -1.56 -3.30 114.93 115.32 1phq h MET 267 Ca 0.36 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.07 1phq h MET 267 Cb -0.11 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 1phq h MET 267 CO -0.09 0.37 -0.13 -0.22 1.06 0.00 0.00 176.91 177.90 1phq h LYS 268 N -0.67 -0.10 0.00 1.72 3.64 -1.41 2.88 116.57 122.62 1phq h LYS 268 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1phq h LYS 268 Cb 0.53 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1phq h LYS 268 CO 0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 179.45 177.13 1phq n ALA 269 N -2.62 1.40 0.01 5.00 0.00 -0.97 -0.48 120.51 122.84 1phq n ALA 269 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1phq n ALA 269 Cb 0.21 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1phq n ALA 269 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1phq n ILE 270 N -0.84 0.12 -0.05 0.00 2.08 0.29 -4.22 119.36 116.73 1phq n ILE 270 Ca 0.00 0.04 0.24 0.00 0.56 0.00 0.00 62.75 63.59 1phq n ILE 270 Cb 0.00 -0.92 0.63 0.00 -0.75 0.00 0.00 39.64 38.60 1phq n ILE 270 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1phq h ASP 271 N 0.00 0.00 0.00 4.38 3.58 0.49 0.22 116.42 125.09 1phq h ASP 271 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1phq h ASP 271 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1phq h ASP 271 CO 0.00 0.00 -0.46 0.47 -2.88 0.00 0.00 179.24 176.37 1phq n ASP 272 N -3.52 1.16 0.00 2.28 8.00 0.37 -3.21 116.55 121.63 1phq n ASP 272 Ca 0.15 0.35 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1phq n ASP 272 Cb 1.03 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1phq n ASP 272 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1phq n LEU 273 N -3.72 0.00 0.00 0.64 -0.00 -0.86 -0.80 117.00 112.27 1phq n LEU 273 Ca -0.06 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 1phq n LEU 273 Cb 0.24 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1phq n LEU 273 CO 0.10 -0.07 -0.36 0.52 -0.00 0.00 0.00 177.39 177.58 1phq n VAL 274 N -0.94 0.00 1.97 1.96 0.31 0.72 -4.60 118.33 117.76 1phq n VAL 274 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1phq n VAL 274 Cb 0.04 -0.14 0.31 0.00 -0.91 0.00 0.00 33.84 33.14 1phq n VAL 274 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1phq n LYS 275 N -1.30 0.99 -2.76 5.55 3.00 0.02 -3.12 118.16 120.54 1phq n LYS 275 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1phq n LYS 275 Cb 0.17 -1.17 0.02 0.00 0.00 0.00 0.00 35.03 34.04 1phq n LYS 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1phq n GLY 276 N 0.65 2.24 3.61 3.14 0.00 -1.00 -4.90 105.19 108.94 1phq n GLY 276 Ca 0.08 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 1phq n GLY 276 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1phq s PHE 277 N -3.01 2.84 -0.83 1.61 0.08 -1.18 -4.98 117.98 112.51 1phq s PHE 277 Ca 0.31 -0.10 -0.25 0.00 0.12 0.00 0.00 56.93 57.01 1phq s PHE 277 Cb 0.43 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 41.42 1phq s PHE 277 CO 0.00 0.43 1.45 -1.21 -0.10 0.00 0.00 175.22 175.79 1phq s GLU 278 N -2.11 3.21 0.00 0.44 0.41 -1.26 -4.88 118.70 114.51 1phq s GLU 278 Ca 0.22 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.34 1phq s GLU 278 Cb -0.11 -4.65 0.00 0.00 -1.78 0.00 0.00 34.13 27.58 1phq s GLU 278 CO 0.14 -2.32 0.00 -1.91 -0.49 0.00 0.00 175.26 170.68 1phq n GLU 279 N 9.16 0.00 -3.60 1.61 2.13 -1.26 -4.91 120.64 123.77 1phq n GLU 279 Ca 0.17 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.78 1phq n GLU 279 Cb 0.50 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.19 1phq n GLU 279 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1phq s LEU 280 N 0.00 3.21 -0.29 4.31 2.96 -1.26 -5.12 118.68 122.49 1phq s LEU 280 Ca 0.00 -0.87 0.03 0.00 -0.22 0.00 0.00 54.13 53.07 1phq s LEU 280 Cb 0.00 -1.82 0.18 0.00 0.50 0.00 0.00 46.19 45.05 1phq s LEU 280 CO 0.00 -0.81 0.49 -0.62 -1.32 0.00 0.00 176.35 174.09 1phq s ASP 281 N -4.20 -0.54 0.00 3.68 -1.08 -1.26 -4.96 116.67 108.30 1phq s ASP 281 Ca 0.46 -0.06 0.11 0.00 -0.52 0.00 0.00 52.55 52.54 1phq s ASP 281 Cb -0.03 1.54 0.33 0.00 -1.46 0.00 0.00 42.92 43.31 1phq s ASP 281 CO 0.27 -0.33 1.28 0.35 0.52 0.00 0.00 175.17 177.26 1phq n THR 282 N 5.39 0.47 0.00 1.71 -2.24 -1.26 -4.43 114.28 113.92 1phq n THR 282 Ca 0.02 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1phq n THR 282 Cb 0.51 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1phq n THR 282 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1phq n SER 283 N 0.55 0.00 0.00 3.42 2.88 -1.26 -5.40 113.62 113.81 1phq n SER 283 Ca 0.12 0.23 0.07 0.00 -1.33 0.00 0.00 58.87 57.96 1phq n SER 283 Cb 0.31 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.20 1phq n SER 283 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10