#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grq s THR 2 N 0.00 3.11 0.08 3.17 -1.32 -1.26 -4.72 115.64 114.70 1grq s THR 2 Ca 0.00 0.82 -0.31 0.00 -1.21 0.00 0.00 61.69 60.99 1grq s THR 2 Cb 0.00 -3.52 -0.09 0.00 -1.51 0.00 0.00 72.50 67.38 1grq s THR 2 CO 0.00 0.08 1.70 -0.89 -2.21 0.00 0.00 174.62 173.30 1grq s THR 3 N 0.90 2.92 -0.22 5.08 2.01 0.77 -4.73 115.64 122.36 1grq s THR 3 Ca 0.64 0.37 0.10 0.00 0.31 0.00 0.00 61.69 63.12 1grq s THR 3 Cb -0.39 -3.24 -0.21 0.00 0.01 0.00 0.00 72.50 68.67 1grq s THR 3 CO 0.32 -0.00 -0.07 0.54 -0.69 0.00 0.00 174.62 174.72 1grq n ARG 4 N 5.66 0.70 -3.75 4.92 5.12 0.48 -4.91 116.66 124.89 1grq n ARG 4 Ca 0.16 0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 56.01 1grq n ARG 4 Cb 0.40 -1.51 -0.14 0.00 -1.16 0.00 0.00 32.46 30.05 1grq n ARG 4 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1grq s MET 5 N -2.49 0.11 -0.20 5.56 1.75 -0.95 -2.53 119.30 120.54 1grq s MET 5 Ca -0.21 0.39 -0.08 0.00 -1.25 0.00 0.00 55.69 54.54 1grq s MET 5 Cb 0.07 -0.16 -0.04 0.00 2.84 0.00 0.00 34.83 37.54 1grq s MET 5 CO 0.71 -0.16 0.08 0.42 -0.65 0.00 0.00 175.02 175.43 1grq s ILE 6 N 1.13 4.85 -0.27 10.11 1.01 -0.27 -1.03 121.20 136.74 1grq s ILE 6 Ca -0.09 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1grq s ILE 6 Cb -0.11 -3.21 0.07 0.00 0.01 0.00 0.00 42.46 39.22 1grq s ILE 6 CO -0.06 0.42 -0.04 -0.63 0.00 0.00 0.00 174.94 174.63 1grq s ILE 7 N 0.68 1.80 -0.02 2.92 1.01 0.15 -0.71 121.20 127.04 1grq s ILE 7 Ca 0.04 -1.56 -0.14 0.00 0.00 0.00 0.00 60.65 59.00 1grq s ILE 7 Cb -0.13 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 1grq s ILE 7 CO 0.02 -0.21 0.39 -0.76 0.00 0.00 0.00 174.94 174.38 1grq s LEU 8 N 1.24 4.45 -0.02 2.97 1.02 0.30 -1.17 118.68 127.47 1grq s LEU 8 Ca -0.03 0.91 0.04 0.00 0.02 0.00 0.00 54.13 55.07 1grq s LEU 8 Cb -0.19 -2.55 -0.01 0.00 0.02 0.00 0.00 46.19 43.47 1grq s LEU 8 CO -0.07 0.31 -0.14 0.21 0.02 0.00 0.00 176.35 176.67 1grq s ASN 9 N -0.93 1.69 -0.17 2.29 2.47 -0.92 -1.21 114.94 118.16 1grq s ASN 9 Ca 0.23 -0.27 -0.35 0.00 0.42 0.00 0.00 52.86 52.90 1grq s ASN 9 Cb -0.16 -0.34 0.14 0.00 -1.45 0.00 0.00 41.25 39.44 1grq s ASN 9 CO 0.12 0.14 1.19 -0.83 -3.72 0.00 0.00 177.10 174.00 1grq s GLY 10 N -0.09 -0.31 1.14 1.21 0.00 -1.16 -1.07 107.32 107.04 1grq s GLY 10 Ca 0.01 1.55 -0.17 0.00 0.00 0.00 0.00 44.72 46.11 1grq s GLY 10 CO 0.00 0.51 1.09 -0.32 0.00 0.00 0.00 173.10 174.39 1grq s GLY 11 N -2.21 1.57 0.39 0.20 0.00 -1.26 -4.49 107.32 101.52 1grq s GLY 11 Ca 0.09 -0.71 -0.26 0.00 0.00 0.00 0.00 44.72 43.85 1grq s GLY 11 CO -0.05 0.08 1.19 -0.45 0.00 0.00 0.00 173.10 173.87 1grq s SER 12 N -3.65 6.56 -0.02 1.64 0.15 -1.26 -2.52 113.70 114.60 1grq s SER 12 Ca 0.69 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.74 1grq s SER 12 Cb -0.14 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1grq s SER 12 CO 0.57 -0.65 0.00 -1.20 1.20 0.00 0.00 173.24 173.16 1grq n SER 13 N 0.20 -5.24 0.11 5.45 7.64 -1.26 -4.27 113.62 116.25 1grq n SER 13 Ca 0.04 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.03 1grq n SER 13 Cb 0.46 -2.75 0.47 0.00 -1.01 0.00 0.00 64.21 61.37 1grq n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1grq n ALA 14 N 1.00 1.67 0.00 -0.43 0.00 -1.05 -4.77 120.51 116.94 1grq n ALA 14 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1grq n ALA 14 Cb 0.38 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1grq n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1grq n GLY 15 N 0.02 0.97 0.31 0.00 0.00 -1.26 -4.65 105.19 100.57 1grq n GLY 15 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1grq n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1grq h LYS 16 N 2.91 -0.27 -0.51 1.61 1.57 -1.89 -2.90 116.57 117.09 1grq h LYS 16 Ca 0.00 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1grq h LYS 16 Cb 0.00 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 1grq h LYS 16 CO 0.00 -0.18 0.01 0.77 -0.57 0.00 0.00 179.45 179.48 1grq h SER 17 N -0.28 -0.20 0.19 0.86 0.02 -1.99 -1.45 113.55 110.69 1grq h SER 17 Ca 0.14 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 1grq h SER 17 Cb 0.51 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1grq h SER 17 CO -0.44 -0.07 -0.18 1.23 -1.14 0.00 0.00 176.83 176.24 1grq h GLY 18 N 0.13 0.00 0.93 -3.77 0.00 -1.96 -1.07 103.07 97.33 1grq h GLY 18 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.43 1grq h GLY 18 CO -0.42 0.00 -0.54 -2.22 0.00 0.00 0.00 176.54 173.35 1grq h ILE 19 N 0.00 1.35 -0.98 2.60 2.04 -1.15 -2.33 117.51 119.04 1grq h ILE 19 Ca -0.00 -1.84 0.02 0.00 1.00 0.00 0.00 64.86 64.04 1grq h ILE 19 Cb 0.32 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 1grq h ILE 19 CO 0.02 0.56 0.65 0.58 0.00 0.00 0.00 178.15 179.96 1grq h VAL 20 N 0.20 1.21 -0.00 1.67 2.07 -0.76 0.47 116.25 121.11 1grq h VAL 20 Ca -0.03 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 1grq h VAL 20 Cb 1.18 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1grq h VAL 20 CO 0.11 0.23 -0.53 0.03 0.02 0.00 0.00 177.57 177.44 1grq h ARG 21 N 1.28 0.00 -0.10 1.57 3.08 -1.18 -1.89 114.38 117.14 1grq h ARG 21 Ca 0.38 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.21 1grq h ARG 21 Cb -0.07 0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.99 1grq h ARG 21 CO -0.10 0.53 -0.76 0.00 -1.07 0.00 0.00 179.97 178.58 1grq h LEU 23 N 0.38 0.42 -1.41 0.00 3.38 0.00 0.26 115.31 118.34 1grq h LEU 23 Ca -0.06 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1grq h LEU 23 Cb 1.40 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1grq h LEU 23 CO 0.15 0.33 0.47 1.56 0.09 0.00 0.00 178.44 181.04 1grq h GLN 24 N 0.47 0.68 0.04 1.13 4.20 -1.35 0.11 115.11 120.39 1grq h GLN 24 Ca 0.13 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.57 1grq h GLN 24 Cb -0.02 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1grq h GLN 24 CO -0.03 0.45 -1.05 1.03 -0.67 0.00 0.00 178.83 178.57 1grq h SER 25 N 0.70 0.18 0.05 1.46 0.87 -1.04 -3.38 113.55 112.39 1grq h SER 25 Ca 0.32 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1grq h SER 25 Cb 0.33 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1grq h SER 25 CO -0.11 1.11 -0.02 0.58 -0.53 0.00 0.00 176.83 177.86 1grq h VAL 26 N 0.04 0.60 -2.44 2.23 2.07 0.33 -3.46 116.25 115.62 1grq h VAL 26 Ca -0.06 -1.37 -0.56 0.00 0.82 0.00 0.00 66.70 65.54 1grq h VAL 26 Cb 1.77 1.11 0.06 0.00 -1.52 0.00 0.00 31.29 32.72 1grq h VAL 26 CO 0.15 0.20 0.85 0.18 0.02 0.00 0.00 177.57 178.97 1grq n LEU 27 N -4.77 3.39 -0.24 2.57 4.77 0.29 -4.93 117.00 118.07 1grq n LEU 27 Ca -0.04 1.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.97 1grq n LEU 27 Cb 0.18 -1.47 0.10 0.00 -2.33 0.00 0.00 43.42 39.89 1grq n LEU 27 CO 0.13 -0.16 1.02 1.55 -1.33 0.00 0.00 177.39 178.61 1grq h PRO 28 N 5.99 1.09 -6.49 3.23 0.13 -1.89 -3.43 132.00 130.64 1grq h PRO 28 Ca -0.44 -0.21 -0.53 0.00 -0.87 0.00 0.00 66.00 63.94 1grq h PRO 28 Cb 1.24 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1grq h PRO 28 CO 0.89 0.91 0.07 -1.21 -0.23 0.00 0.00 178.00 178.43 1grq s GLU 29 N -5.43 4.23 0.05 0.86 0.41 -1.26 -5.02 118.70 112.55 1grq s GLU 29 Ca -0.12 0.82 -0.31 0.00 -0.41 0.00 0.00 54.97 54.96 1grq s GLU 29 Cb 0.16 -2.96 -0.08 0.00 -1.78 0.00 0.00 34.13 29.47 1grq s GLU 29 CO 0.83 0.45 1.61 -1.25 -0.49 0.00 0.00 175.26 176.41 1grq s PRO 30 N -1.80 4.21 -0.09 0.39 0.04 -1.26 -5.01 135.00 131.48 1grq s PRO 30 Ca 0.40 2.26 0.01 0.00 0.04 0.00 0.00 61.00 63.71 1grq s PRO 30 Cb -0.17 -3.61 -0.02 0.00 0.04 0.00 0.00 34.50 30.73 1grq s PRO 30 CO 0.21 -0.71 -0.11 -1.58 0.04 0.00 0.00 177.00 174.85 1grq s TRP 31 N 2.67 2.82 0.06 0.56 0.52 -1.26 -4.41 118.94 119.89 1grq s TRP 31 Ca 0.72 -0.27 -0.17 0.00 0.02 0.00 0.00 56.10 56.40 1grq s TRP 31 Cb -0.38 -1.74 -0.06 0.00 -1.15 0.00 0.00 33.47 30.13 1grq s TRP 31 CO 0.31 0.08 0.52 -0.51 0.02 0.00 0.00 176.95 177.37 1grq s LEU 32 N -0.33 4.50 -0.10 2.99 1.43 0.49 -4.91 118.68 122.75 1grq s LEU 32 Ca 0.04 1.15 -0.00 0.00 -1.03 0.00 0.00 54.13 54.29 1grq s LEU 32 Cb -0.13 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 1grq s LEU 32 CO 0.02 0.28 -0.08 0.00 0.23 0.00 0.00 176.35 176.80 1grq s ALA 33 N -1.13 2.88 -0.37 4.21 0.00 -1.26 -0.08 121.76 126.01 1grq s ALA 33 Ca 0.28 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1grq s ALA 33 Cb -0.18 -1.28 0.15 0.00 0.00 0.00 0.00 23.12 21.81 1grq s ALA 33 CO 0.17 0.41 0.36 -0.06 0.00 0.00 0.00 175.76 176.65 1grq s PHE 34 N -0.27 -0.19 0.36 0.00 0.40 -0.76 -4.97 117.98 112.55 1grq s PHE 34 Ca 0.03 -0.90 -0.03 0.00 -0.60 0.00 0.00 56.93 55.43 1grq s PHE 34 Cb -0.13 -0.46 0.08 0.00 0.51 0.00 0.00 43.02 43.02 1grq s PHE 34 CO 0.03 -0.96 0.49 0.41 0.70 0.00 0.00 175.22 175.89 1grq n GLY 35 N 4.23 -0.09 0.24 4.36 0.00 -1.26 -4.08 105.19 108.59 1grq n GLY 35 Ca 0.11 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.39 1grq n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1grq h VAL 36 N -0.82 0.28 -0.31 1.61 3.04 -1.76 -2.97 116.25 115.32 1grq h VAL 36 Ca -0.16 -0.97 -0.13 0.00 -1.01 0.00 0.00 66.70 64.43 1grq h VAL 36 Cb 0.52 1.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1grq h VAL 36 CO 0.14 0.12 -0.31 0.44 -1.01 0.00 0.00 177.57 176.96 1grq h ASP 37 N 0.00 0.80 0.50 3.17 3.32 -1.93 -1.94 116.42 120.34 1grq h ASP 37 Ca -0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 1grq h ASP 37 Cb 0.76 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1grq h ASP 37 CO 0.02 1.11 -0.14 0.77 -1.72 0.00 0.00 179.24 179.27 1grq h SER 38 N 0.51 0.00 0.10 6.45 4.64 -1.89 -1.88 113.55 121.48 1grq h SER 38 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1grq h SER 38 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1grq h SER 38 CO 0.08 0.14 -0.05 0.25 -0.87 0.00 0.00 176.83 176.38 1grq h LEU 39 N 0.00 -0.12 -1.19 5.97 6.46 -1.42 -2.47 115.31 122.54 1grq h LEU 39 Ca -0.00 -0.45 0.26 0.00 -0.12 0.00 0.00 57.88 57.56 1grq h LEU 39 Cb 0.43 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 40.28 1grq h LEU 39 CO 0.02 0.46 0.64 0.40 -0.62 0.00 0.00 178.44 179.34 1grq h ILE 40 N -0.78 0.53 -0.07 4.05 1.08 -1.01 0.26 117.51 121.57 1grq h ILE 40 Ca -0.01 -0.17 -0.13 0.00 -0.39 0.00 0.00 64.86 64.16 1grq h ILE 40 Cb 0.56 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1grq h ILE 40 CO 0.02 0.09 -0.54 -0.08 -0.69 0.00 0.00 178.15 176.95 1grq h GLU 41 N 0.48 0.20 0.00 2.37 4.57 -1.28 -2.87 114.58 118.05 1grq h GLU 41 Ca 0.62 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1grq h GLU 41 Cb 1.38 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 1grq h GLU 41 CO -0.38 0.69 0.00 0.00 -1.18 0.00 0.00 179.01 178.13 1grq n ALA 42 N -2.46 2.33 -2.50 2.92 0.00 0.86 -4.81 120.51 116.85 1grq n ALA 42 Ca -0.02 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 1grq n ALA 42 Cb 0.57 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1grq n ALA 42 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1grq s MET 43 N -2.80 3.63 0.48 0.00 -1.94 -0.96 -5.05 119.30 112.66 1grq s MET 43 Ca 0.20 0.02 -0.24 0.00 -1.71 0.00 0.00 55.69 53.96 1grq s MET 43 Cb 0.19 -2.62 -0.07 0.00 2.01 0.00 0.00 34.83 34.33 1grq s MET 43 CO 0.47 0.18 1.32 -1.25 -0.01 0.00 0.00 175.02 175.73 1grq s PRO 44 N -3.65 3.55 0.35 2.03 0.04 -1.26 -4.90 135.00 131.16 1grq s PRO 44 Ca 0.44 2.16 0.06 0.00 0.04 0.00 0.00 61.00 63.71 1grq s PRO 44 Cb -0.11 -2.47 0.74 0.00 0.04 0.00 0.00 34.50 32.70 1grq s PRO 44 CO 0.31 -0.84 1.91 1.25 0.04 0.00 0.00 177.00 179.67 1grq h LEU 45 N 2.01 0.69 -1.28 -3.56 6.46 -1.94 -0.92 115.31 116.78 1grq h LEU 45 Ca -0.50 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.26 1grq h LEU 45 Cb 1.27 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.05 1grq h LEU 45 CO 0.60 0.41 0.27 0.07 -0.62 0.00 0.00 178.44 179.16 1grq h LYS 46 N 0.77 0.76 0.00 1.25 2.10 -1.99 0.14 116.57 119.60 1grq h LYS 46 Ca 0.38 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1grq h LYS 46 Cb 0.45 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1grq h LYS 46 CO -0.15 0.59 0.09 -1.33 -2.00 0.00 0.00 179.45 176.65 1grq n MET 47 N -4.37 0.04 -0.07 0.07 2.81 -0.35 -2.32 117.12 112.93 1grq n MET 47 Ca 0.05 0.49 0.11 0.00 -1.81 0.00 0.00 57.70 56.53 1grq n MET 47 Cb 0.12 -1.73 0.40 0.00 -0.71 0.00 0.00 33.22 31.31 1grq n MET 47 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1grq n GLN 48 N -1.68 1.70 0.00 0.03 7.27 0.50 -3.67 117.38 121.54 1grq n GLN 48 Ca -0.00 -1.05 0.00 0.00 0.07 0.00 0.00 57.00 56.01 1grq n GLN 48 Cb 0.10 -1.40 0.00 0.00 2.41 0.00 0.00 30.24 31.35 1grq n GLN 48 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1grq n SER 49 N 0.28 0.00 -4.58 1.69 7.64 -1.04 -4.53 113.62 113.08 1grq n SER 49 Ca 0.17 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.64 1grq n SER 49 Cb 0.33 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 1grq n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1grq s ALA 50 N -1.00 2.32 0.27 -0.43 0.00 -0.98 -4.84 121.76 117.10 1grq s ALA 50 Ca 0.00 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.26 1grq s ALA 50 Cb 0.00 -4.18 -0.13 0.00 0.00 0.00 0.00 23.12 18.81 1grq s ALA 50 CO 0.00 -3.42 0.20 0.39 0.00 0.00 0.00 175.76 172.93 1grq n GLU 51 N 8.86 0.00 0.00 0.00 4.71 -1.26 -2.77 120.64 130.18 1grq n GLU 51 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 1grq n GLU 51 Cb 0.49 -0.82 0.00 0.00 -1.01 0.00 0.00 31.44 30.09 1grq n GLU 51 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1grq n GLY 52 N 1.82 2.38 3.47 0.62 0.00 -1.26 -5.00 105.19 107.22 1grq n GLY 52 Ca 0.11 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1grq n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1grq s GLY 53 N -0.74 1.63 0.04 -0.02 0.00 -1.11 -1.17 107.32 105.95 1grq s GLY 53 Ca 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 44.72 43.38 1grq s GLY 53 CO 0.00 -1.20 0.14 4.51 0.00 0.00 0.00 173.10 176.55 1grq n ILE 54 N 1.20 0.44 -3.69 0.90 3.06 -1.24 -4.25 119.36 115.78 1grq n ILE 54 Ca -0.16 -0.11 -0.17 0.00 -2.50 0.00 0.00 62.75 59.81 1grq n ILE 54 Cb 0.52 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.54 1grq n ILE 54 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1grq s GLU 55 N -0.22 0.02 -0.37 9.51 2.12 -0.89 -3.49 118.70 125.37 1grq s GLU 55 Ca 0.16 0.48 -0.20 0.00 0.36 0.00 0.00 54.97 55.77 1grq s GLU 55 Cb -0.23 -0.30 0.01 0.00 0.26 0.00 0.00 34.13 33.86 1grq s GLU 55 CO 0.14 -0.28 0.59 -0.06 -0.54 0.00 0.00 175.26 175.10 1grq s PHE 56 N 2.02 3.14 0.63 5.30 0.40 -1.26 -2.64 117.98 125.57 1grq s PHE 56 Ca 0.01 0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 56.34 1grq s PHE 56 Cb -0.12 -3.10 -0.02 0.00 0.51 0.00 0.00 43.02 40.29 1grq s PHE 56 CO -0.05 -0.65 1.14 -0.51 0.70 0.00 0.00 175.22 175.84 1grq s ASP 57 N 1.83 5.17 0.24 1.36 -0.00 0.14 -4.87 116.67 120.54 1grq s ASP 57 Ca 0.21 2.14 0.17 0.00 -0.00 0.00 0.00 52.55 55.07 1grq s ASP 57 Cb -0.15 -2.57 0.89 0.00 -0.00 0.00 0.00 42.92 41.10 1grq s ASP 57 CO 0.15 -1.59 1.52 0.00 -0.00 0.00 0.00 175.17 175.25 1grq n ALA 58 N -2.05 1.12 -1.10 5.23 0.00 -1.26 -1.80 120.51 120.65 1grq n ALA 58 Ca 0.11 0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.54 1grq n ALA 58 Cb 0.51 -1.26 0.24 0.00 0.00 0.00 0.00 19.45 18.94 1grq n ALA 58 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1grq n ASP 59 N -2.08 4.28 -0.43 0.00 5.75 -1.26 -4.83 116.55 117.98 1grq n ASP 59 Ca -0.01 -3.39 -0.06 0.00 -0.01 0.00 0.00 54.79 51.32 1grq n ASP 59 Cb 0.05 -0.79 -0.02 0.00 -1.03 0.00 0.00 41.12 39.33 1grq n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1grq n GLY 60 N -0.63 0.82 3.87 6.12 0.00 -0.74 -4.60 105.19 110.02 1grq n GLY 60 Ca 0.50 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1grq n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1grq s GLY 61 N -2.94 2.28 -0.03 -0.02 0.00 -1.17 -3.64 107.32 101.80 1grq s GLY 61 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.47 1grq s GLY 61 CO 0.00 -0.13 -0.08 0.14 0.00 0.00 0.00 173.10 173.03 1grq s VAL 62 N -1.82 0.74 -0.02 1.40 1.01 -1.26 0.27 120.40 120.71 1grq s VAL 62 Ca 0.47 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1grq s VAL 62 Cb -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1grq s VAL 62 CO 0.21 0.24 -0.08 -0.94 0.00 0.00 0.00 175.10 174.53 1grq s SER 63 N 0.40 1.09 -0.19 3.32 1.04 -1.08 -5.00 113.70 113.28 1grq s SER 63 Ca -0.06 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.18 1grq s SER 63 Cb -0.10 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1grq s SER 63 CO 0.01 0.07 -0.09 -0.63 0.98 0.00 0.00 173.24 173.58 1grq s ILE 64 N 0.08 3.16 0.69 -1.02 -1.09 -1.26 -2.10 121.20 119.66 1grq s ILE 64 Ca -0.01 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 57.77 1grq s ILE 64 Cb -0.07 -2.39 0.15 0.00 -1.58 0.00 0.00 42.46 38.57 1grq s ILE 64 CO 0.00 0.47 0.94 0.61 -1.23 0.00 0.00 174.94 175.73 1grq n GLY 65 N 4.36 -0.09 0.19 6.18 0.00 -1.22 -4.93 105.19 109.68 1grq n GLY 65 Ca -0.18 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 1grq n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1grq h PRO 66 N 0.00 0.50 -0.18 1.61 0.13 -1.98 -2.21 132.00 129.87 1grq h PRO 66 Ca -0.31 -0.37 0.05 0.00 -0.87 0.00 0.00 66.00 64.50 1grq h PRO 66 Cb 1.02 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 1grq h PRO 66 CO 0.28 0.99 -0.21 0.93 -0.23 0.00 0.00 178.00 179.76 1grq h GLU 67 N 0.36 -0.24 -0.17 0.86 4.39 -1.83 -0.09 114.58 117.86 1grq h GLU 67 Ca -0.02 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1grq h GLU 67 Cb 1.24 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1grq h GLU 67 CO 0.12 -0.16 0.09 0.35 -1.16 0.00 0.00 179.01 178.25 1grq h PHE 68 N -0.25 0.17 -0.83 4.33 3.04 -1.14 -2.83 116.94 119.42 1grq h PHE 68 Ca 0.12 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.15 1grq h PHE 68 Cb 0.42 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.82 1grq h PHE 68 CO -0.34 0.10 0.54 -0.09 -2.02 0.00 0.00 178.31 176.50 1grq h ARG 69 N 0.19 0.85 -0.30 1.11 2.43 -0.73 -0.28 114.38 117.65 1grq h ARG 69 Ca 0.06 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1grq h ARG 69 Cb 0.00 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1grq h ARG 69 CO -0.04 0.56 0.03 0.00 -1.51 0.00 0.00 179.97 179.02 1grq h ALA 70 N 1.56 0.41 -0.44 2.80 0.00 -0.81 -1.67 119.26 121.11 1grq h ALA 70 Ca 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1grq h ALA 70 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1grq h ALA 70 CO -0.14 0.12 0.15 -0.07 0.00 0.00 0.00 179.25 179.31 1grq h LEU 71 N 0.33 0.63 -1.26 0.00 3.38 -1.19 -2.63 115.31 114.57 1grq h LEU 71 Ca 0.09 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1grq h LEU 71 Cb 0.38 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1grq h LEU 71 CO 0.01 0.65 0.53 -0.08 0.09 0.00 0.00 178.44 179.64 1grq h GLU 72 N 0.56 0.89 -0.12 1.13 4.81 -0.94 -1.53 114.58 119.38 1grq h GLU 72 Ca 0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1grq h GLU 72 Cb 0.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1grq h GLU 72 CO -0.01 0.59 0.05 0.78 -0.73 0.00 0.00 179.01 179.69 1grq h GLY 73 N 0.91 0.19 1.01 1.92 0.00 -0.95 -0.38 103.07 105.79 1grq h GLY 73 Ca 0.34 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.57 1grq h GLY 73 CO -0.12 0.10 0.61 0.00 0.00 0.00 0.00 176.54 177.13 1grq h ALA 74 N 0.89 1.18 -0.21 3.60 0.00 -1.17 -2.09 119.26 121.46 1grq h ALA 74 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1grq h ALA 74 Cb 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1grq h ALA 74 CO -0.00 0.59 0.10 2.35 0.00 0.00 0.00 179.25 182.29 1grq h TRP 75 N 1.27 0.30 -0.38 0.00 7.01 -1.10 -2.08 115.95 120.97 1grq h TRP 75 Ca 0.34 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.41 1grq h TRP 75 Cb -0.14 -0.09 -0.08 0.00 -2.10 0.00 0.00 29.16 26.75 1grq h TRP 75 CO -0.00 0.30 -0.13 0.00 -2.79 0.00 0.00 178.44 175.81 1grq h ALA 76 N 0.97 0.19 0.00 2.65 0.00 -0.60 0.40 119.26 122.87 1grq h ALA 76 Ca 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1grq h ALA 76 Cb 0.11 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1grq h ALA 76 CO -0.01 -0.50 -0.07 0.93 0.00 0.00 0.00 179.25 179.60 1grq h GLU 77 N -0.06 0.00 -0.18 0.00 5.08 -1.18 -2.11 114.58 116.14 1grq h GLU 77 Ca 0.19 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1grq h GLU 77 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1grq h GLU 77 CO -0.42 0.07 -0.33 0.78 -1.00 0.00 0.00 179.01 178.11 1grq h GLY 78 N 0.26 0.59 1.27 -3.84 0.00 -0.24 -1.61 103.07 99.50 1grq h GLY 78 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 1grq h GLY 78 CO 0.01 0.62 -0.27 -0.39 0.00 0.00 0.00 176.54 176.51 1grq h VAL 79 N 0.19 1.27 -0.67 4.60 -1.51 -1.05 -1.47 116.25 117.61 1grq h VAL 79 Ca 0.01 -1.41 -0.01 0.00 -1.23 0.00 0.00 66.70 64.06 1grq h VAL 79 Cb 0.93 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 31.31 1grq h VAL 79 CO 0.07 0.47 0.38 0.58 -1.23 0.00 0.00 177.57 177.84 1grq h VAL 80 N 0.71 1.21 0.00 7.19 2.07 -1.41 -1.07 116.25 124.95 1grq h VAL 80 Ca 0.09 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1grq h VAL 80 Cb 0.81 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1grq h VAL 80 CO 0.07 0.22 -0.10 0.00 0.02 0.00 0.00 177.57 177.78 1grq h ALA 81 N 1.19 1.60 -0.23 1.67 0.00 -0.96 -0.12 119.26 122.41 1grq h ALA 81 Ca 0.24 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1grq h ALA 81 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1grq h ALA 81 CO -0.04 0.13 -0.46 0.52 0.00 0.00 0.00 179.25 179.40 1grq h MET 82 N 0.00 0.71 0.35 0.00 2.86 -0.15 -1.12 114.93 117.58 1grq h MET 82 Ca -0.00 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 1grq h MET 82 Cb 0.21 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1grq h MET 82 CO 0.01 1.08 -0.17 0.00 1.06 0.00 0.00 176.91 178.90 1grq h ALA 83 N 0.62 -0.47 -0.58 6.32 0.00 -0.55 -0.87 119.26 123.74 1grq h ALA 83 Ca 0.01 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.94 1grq h ALA 83 Cb 1.06 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1grq h ALA 83 CO 0.10 -0.71 0.41 -0.09 0.00 0.00 0.00 179.25 178.97 1grq h ARG 84 N -0.58 0.04 -0.00 0.00 9.65 -1.05 0.76 114.38 123.20 1grq h ARG 84 Ca -0.05 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1grq h ARG 84 Cb 0.42 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1grq h ARG 84 CO 0.08 0.02 -0.00 0.00 2.80 0.00 0.00 179.97 182.87 1grq n ALA 85 N -2.64 2.54 0.00 2.80 0.00 -0.43 -4.89 120.51 117.89 1grq n ALA 85 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1grq n ALA 85 Cb 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1grq n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1grq n GLY 86 N 1.21 0.70 3.87 0.00 0.00 0.27 -5.06 105.19 106.19 1grq n GLY 86 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1grq n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grq s ALA 87 N -2.00 3.35 -0.24 4.61 0.00 -0.38 -4.99 121.76 122.11 1grq s ALA 87 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 1grq s ALA 87 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1grq s ALA 87 CO 0.00 0.04 0.34 1.03 0.00 0.00 0.00 175.76 177.18 1grq s ARG 88 N -3.72 4.07 -0.18 0.00 0.52 -1.26 -4.00 118.95 114.39 1grq s ARG 88 Ca 0.51 0.04 -0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1grq s ARG 88 Cb -0.10 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1grq s ARG 88 CO 0.29 -0.14 -0.15 0.42 0.02 0.00 0.00 175.30 175.74 1grq s ILE 89 N 1.65 2.61 -0.11 1.52 -1.09 -1.05 -0.38 121.20 124.35 1grq s ILE 89 Ca 0.15 -0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 57.74 1grq s ILE 89 Cb -0.15 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 1grq s ILE 89 CO 0.08 0.50 0.11 -0.63 -1.23 0.00 0.00 174.94 173.78 1grq s ILE 90 N 1.09 5.23 -0.05 2.92 1.01 0.89 -1.11 121.20 131.18 1grq s ILE 90 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 1grq s ILE 90 Cb -0.14 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.09 1grq s ILE 90 CO -0.05 0.60 0.09 -0.63 0.00 0.00 0.00 174.94 174.95 1grq s ILE 91 N -1.01 -0.14 -0.21 2.92 1.01 0.12 -1.83 121.20 122.05 1grq s ILE 91 Ca 0.15 0.38 -0.05 0.00 0.00 0.00 0.00 60.65 61.13 1grq s ILE 91 Cb -0.12 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 1grq s ILE 91 CO 0.04 0.16 -0.01 1.51 0.00 0.00 0.00 174.94 176.64 1grq s ASP 92 N 2.04 4.65 0.43 3.58 -4.77 -1.26 -0.54 116.67 120.80 1grq s ASP 92 Ca 0.02 -0.28 0.04 0.00 -3.30 0.00 0.00 52.55 49.03 1grq s ASP 92 Cb -0.12 -1.80 -0.02 0.00 -1.09 0.00 0.00 42.92 39.89 1grq s ASP 92 CO -0.04 0.02 0.14 -0.62 0.70 0.00 0.00 175.17 175.37 1grq s ASP 93 N 1.25 2.96 -0.41 2.11 -1.08 -0.35 -1.85 116.67 119.31 1grq s ASP 93 Ca 0.03 -1.73 0.02 0.00 -0.52 0.00 0.00 52.55 50.35 1grq s ASP 93 Cb -0.15 0.60 0.12 0.00 -1.46 0.00 0.00 42.92 42.04 1grq s ASP 93 CO 0.00 -0.98 0.19 -0.69 0.52 0.00 0.00 175.17 174.22 1grq s VAL 94 N -3.16 1.38 -0.69 1.11 1.01 -1.26 -2.98 120.40 115.81 1grq s VAL 94 Ca 0.21 -2.30 -0.27 0.00 0.00 0.00 0.00 61.98 59.62 1grq s VAL 94 Cb 0.01 -1.98 -0.25 0.00 0.00 0.00 0.00 36.38 34.16 1grq s VAL 94 CO 0.14 -0.82 1.88 0.49 0.00 0.00 0.00 175.10 176.79 1grq n PHE 95 N 3.87 1.01 0.05 5.22 3.72 -1.26 -4.69 117.46 125.39 1grq n PHE 95 Ca 0.06 -0.71 0.12 0.00 -0.05 0.00 0.00 57.45 56.87 1grq n PHE 95 Cb 0.36 -1.85 0.59 0.00 -0.94 0.00 0.00 39.48 37.65 1grq n PHE 95 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1grq h LEU 96 N 19.09 0.16 -3.38 4.37 3.38 -1.94 -1.21 115.31 135.77 1grq h LEU 96 Ca 0.18 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.90 1grq h LEU 96 Cb 0.84 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 1grq h LEU 96 CO 1.53 0.10 0.32 0.61 0.09 0.00 0.00 178.44 181.09 1grq n GLY 97 N -1.56 3.48 7.00 0.83 0.00 -1.26 -4.75 105.19 108.93 1grq n GLY 97 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1grq n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grq n GLY 98 N -0.30 2.95 0.35 -0.02 0.00 -0.46 -1.15 105.19 106.57 1grq n GLY 98 Ca 0.38 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.50 1grq n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grq h ALA 99 N -0.37 1.75 -0.62 4.61 0.00 -1.69 -2.15 119.26 120.79 1grq h ALA 99 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1grq h ALA 99 Cb 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 1grq h ALA 99 CO 0.00 0.12 0.22 0.00 0.00 0.00 0.00 179.25 179.59 1grq h ALA 100 N 1.62 0.80 -0.77 0.00 0.00 -1.47 0.19 119.26 119.62 1grq h ALA 100 Ca 0.32 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1grq h ALA 100 Cb 0.34 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1grq h ALA 100 CO -0.11 -0.21 0.27 0.00 0.00 0.00 0.00 179.25 179.20 1grq h ALA 101 N 1.44 1.00 -0.45 0.00 0.00 -1.35 -0.94 119.26 118.95 1grq h ALA 101 Ca 0.32 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1grq h ALA 101 Cb 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1grq h ALA 101 CO -0.33 0.66 -0.12 0.37 0.00 0.00 0.00 179.25 179.83 1grq h GLN 102 N 1.13 0.84 -0.50 0.00 4.15 -0.99 -1.32 115.11 118.42 1grq h GLN 102 Ca 0.25 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1grq h GLN 102 Cb 0.27 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1grq h GLN 102 CO -0.01 0.92 0.18 0.93 -1.93 0.00 0.00 178.83 178.92 1grq h GLU 103 N 0.75 0.75 -0.93 1.69 4.39 -0.34 0.16 114.58 121.06 1grq h GLU 103 Ca 0.12 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.74 1grq h GLU 103 Cb 0.63 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 1grq h GLU 103 CO 0.04 0.69 0.59 -0.09 -1.16 0.00 0.00 179.01 179.08 1grq h ARG 104 N 0.66 1.04 -0.22 2.33 2.43 -0.84 -1.09 114.38 118.69 1grq h ARG 104 Ca 0.16 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.09 1grq h ARG 104 Cb 0.23 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1grq h ARG 104 CO -0.01 0.69 -0.58 -1.49 -1.51 0.00 0.00 179.97 177.07 1grq h TRP 105 N 1.08 0.90 -0.77 2.20 4.06 -0.77 -3.13 115.95 119.51 1grq h TRP 105 Ca 0.40 -0.33 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 1grq h TRP 105 Cb 0.16 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 1grq h TRP 105 CO -0.02 1.12 0.46 0.00 -3.56 0.00 0.00 178.44 176.44 1grq h ARG 106 N 0.53 1.05 0.00 0.49 3.08 -0.17 -0.35 114.38 119.02 1grq h ARG 106 Ca 0.00 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1grq h ARG 106 Cb 1.17 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 1grq h ARG 106 CO 0.12 0.74 -0.10 0.66 -1.07 0.00 0.00 179.97 180.32 1grq h SER 107 N 1.07 0.00 0.12 7.04 4.64 -1.17 -2.02 113.55 123.22 1grq h SER 107 Ca 0.28 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.29 1grq h SER 107 Cb -0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1grq h SER 107 CO -0.05 0.10 -1.60 -0.26 -0.87 0.00 0.00 176.83 174.15 1grq h PHE 108 N 0.00 0.45 -0.47 4.77 0.05 -1.35 -3.36 116.94 117.02 1grq h PHE 108 Ca -0.00 -0.33 -0.02 0.00 3.82 0.00 0.00 57.97 61.44 1grq h PHE 108 Cb 0.20 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.10 1grq h PHE 108 CO 0.00 1.63 0.20 0.28 -0.18 0.00 0.00 178.31 180.24 1grq h VAL 109 N -0.21 1.17 0.00 -0.55 2.07 -0.97 -3.48 116.25 114.28 1grq h VAL 109 Ca -0.35 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1grq h VAL 109 Cb 1.84 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1grq h VAL 109 CO 0.06 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.46 1grq n GLY 110 N -1.17 3.03 1.21 2.17 0.00 -0.77 -2.47 105.19 107.19 1grq n GLY 110 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1grq n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1grq n ASP 111 N 8.46 3.89 -4.78 1.61 5.68 -1.26 -4.97 116.55 125.17 1grq n ASP 111 Ca 0.00 -3.20 -0.36 0.00 -0.50 0.00 0.00 54.79 50.72 1grq n ASP 111 Cb 0.00 -0.61 -0.03 0.00 -1.14 0.00 0.00 41.12 39.34 1grq n ASP 111 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1grq s LEU 112 N -2.95 4.09 -0.52 -2.12 2.96 -1.03 -4.95 118.68 114.17 1grq s LEU 112 Ca 0.46 2.07 -0.28 0.00 -0.22 0.00 0.00 54.13 56.16 1grq s LEU 112 Cb 0.38 -4.23 0.01 0.00 0.50 0.00 0.00 46.19 42.84 1grq s LEU 112 CO 0.08 -0.59 1.48 -0.62 -1.32 0.00 0.00 176.35 175.38 1grq s ASP 113 N -1.57 6.08 0.08 3.68 -1.08 -1.26 -4.98 116.67 117.61 1grq s ASP 113 Ca 0.60 0.48 0.08 0.00 -0.52 0.00 0.00 52.55 53.19 1grq s ASP 113 Cb -0.23 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.66 1grq s ASP 113 CO 0.28 -1.71 -0.20 -0.69 0.52 0.00 0.00 175.17 173.37 1grq s VAL 114 N 6.25 2.69 -0.30 1.11 1.01 -1.26 -0.38 120.40 129.52 1grq s VAL 114 Ca 0.58 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1grq s VAL 114 Cb -0.12 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1grq s VAL 114 CO 0.27 0.23 0.05 -0.22 0.00 0.00 0.00 175.10 175.43 1grq s LEU 115 N -1.73 3.84 -0.57 3.92 0.20 -0.19 -4.99 118.68 119.16 1grq s LEU 115 Ca 0.15 -0.94 -0.21 0.00 0.69 0.00 0.00 54.13 53.82 1grq s LEU 115 Cb -0.10 -1.81 0.07 0.00 -0.43 0.00 0.00 46.19 43.91 1grq s LEU 115 CO 0.07 -0.22 0.80 0.26 -0.29 0.00 0.00 176.35 176.97 1grq s TRP 116 N 1.40 2.88 0.00 5.38 0.52 -1.26 -0.67 118.94 127.19 1grq s TRP 116 Ca -0.00 -0.50 -0.08 0.00 0.02 0.00 0.00 56.10 55.54 1grq s TRP 116 Cb -0.18 -3.95 -0.05 0.00 -1.15 0.00 0.00 33.47 28.14 1grq s TRP 116 CO 0.01 -1.32 0.30 0.08 0.02 0.00 0.00 176.95 176.03 1grq s VAL 117 N 3.32 5.25 -0.16 4.03 1.01 -0.32 0.29 120.40 133.83 1grq s VAL 117 Ca 0.20 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1grq s VAL 117 Cb -0.18 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1grq s VAL 117 CO 0.12 0.41 -0.21 -0.83 0.00 0.00 0.00 175.10 174.59 1grq s GLY 118 N -1.55 1.38 -0.36 4.51 0.00 -0.60 -2.17 107.32 108.53 1grq s GLY 118 Ca 0.27 -1.14 -0.07 0.00 0.00 0.00 0.00 44.72 43.77 1grq s GLY 118 CO 0.15 0.10 0.15 0.14 0.00 0.00 0.00 173.10 173.64 1grq s VAL 119 N 1.01 3.96 0.13 1.40 1.01 -0.23 -1.00 120.40 126.69 1grq s VAL 119 Ca -0.02 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.85 1grq s VAL 119 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1grq s VAL 119 CO -0.06 -0.25 0.17 -0.13 0.00 0.00 0.00 175.10 174.84 1grq s ARG 120 N 1.42 3.10 -0.21 2.72 0.52 -0.21 -4.31 118.95 121.98 1grq s ARG 120 Ca -0.00 -0.72 -0.27 0.00 -0.52 0.00 0.00 55.73 54.22 1grq s ARG 120 Cb -0.20 -2.79 0.08 0.00 0.52 0.00 0.00 34.95 32.56 1grq s ARG 120 CO 0.03 0.52 0.77 0.00 0.02 0.00 0.00 175.30 176.64 1grq n ASP 122 N 2.10 3.77 -0.23 0.00 -0.08 -1.26 -4.79 116.55 116.05 1grq n ASP 122 Ca -0.15 1.04 0.04 0.00 -1.51 0.00 0.00 54.79 54.21 1grq n ASP 122 Cb 0.56 -1.52 0.14 0.00 2.34 0.00 0.00 41.12 42.64 1grq n ASP 122 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1grq h GLY 123 N 7.21 0.83 1.09 0.27 0.00 -1.89 0.79 103.07 111.37 1grq h GLY 123 Ca -0.45 0.05 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1grq h GLY 123 CO 0.94 -0.22 -0.25 0.00 0.00 0.00 0.00 176.54 177.00 1grq h ALA 124 N 1.61 0.62 -0.59 3.60 0.00 -1.94 -1.79 119.26 120.78 1grq h ALA 124 Ca 0.38 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1grq h ALA 124 Cb 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1grq h ALA 124 CO -0.55 0.63 -0.04 0.28 0.00 0.00 0.00 179.25 179.56 1grq h VAL 125 N 0.77 1.27 -0.27 0.00 2.07 -1.53 -2.42 116.25 116.13 1grq h VAL 125 Ca 0.09 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 1grq h VAL 125 Cb 0.83 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1grq h VAL 125 CO 0.07 0.43 -0.15 0.00 0.02 0.00 0.00 177.57 177.95 1grq h ALA 126 N 0.97 1.24 0.00 1.67 0.00 0.63 -2.32 119.26 121.44 1grq h ALA 126 Ca 0.16 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1grq h ALA 126 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1grq h ALA 126 CO 0.04 0.50 -0.37 1.49 0.00 0.00 0.00 179.25 180.90 1grq h GLU 127 N 0.43 0.00 -0.09 0.00 4.81 -1.07 -1.02 114.58 117.64 1grq h GLU 127 Ca 0.08 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.11 1grq h GLU 127 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1grq h GLU 127 CO 0.03 0.37 -0.78 0.78 -0.73 0.00 0.00 179.01 178.68 1grq h GLY 128 N 1.77 0.58 1.50 1.92 0.00 -0.94 -2.74 103.07 105.15 1grq h GLY 128 Ca -0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 47.33 46.34 1grq h GLY 128 CO 0.05 0.75 -0.44 3.21 0.00 0.00 0.00 176.54 180.11 1grq h ARG 129 N 0.35 0.55 -0.96 4.80 3.08 -1.17 -1.75 114.38 119.27 1grq h ARG 129 Ca -0.05 -0.30 0.07 0.00 0.07 0.00 0.00 59.98 59.77 1grq h ARG 129 Cb 1.38 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.38 1grq h ARG 129 CO 0.14 0.89 0.62 1.49 -1.07 0.00 0.00 179.97 182.04 1grq h GLU 130 N 0.44 1.08 -0.26 0.04 4.81 -1.05 0.47 114.58 120.11 1grq h GLU 130 Ca 0.03 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 1grq h GLU 130 Cb 0.95 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 1grq h GLU 130 CO 0.08 0.71 -0.53 1.15 -0.73 0.00 0.00 179.01 179.70 1grq h THR 131 N 1.11 1.29 0.00 0.32 2.02 -1.14 -2.84 112.91 113.67 1grq h THR 131 Ca 0.41 -1.74 -0.05 0.00 0.77 0.00 0.00 66.41 65.81 1grq h THR 131 Cb 0.19 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1grq h THR 131 CO -0.16 0.56 -0.24 0.00 0.37 0.00 0.00 175.52 176.05 1grq h ALA 132 N 0.82 0.93 0.00 6.16 0.00 -0.45 -3.03 119.26 123.69 1grq h ALA 132 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1grq h ALA 132 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1grq h ALA 132 CO 0.11 0.30 -0.28 -0.09 0.00 0.00 0.00 179.25 179.29 1grq h ARG 133 N 0.00 0.00 0.00 0.00 2.43 -0.88 -3.47 114.38 112.45 1grq h ARG 133 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1grq h ARG 133 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1grq h ARG 133 CO 0.03 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.90 1grq n GLY 134 N 1.30 0.51 3.65 2.80 0.00 -1.14 -5.01 105.19 107.28 1grq n GLY 134 Ca 0.04 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 1grq n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1grq n ASP 135 N 1.46 1.25 -0.05 1.61 9.92 -1.08 -4.96 116.55 124.69 1grq n ASP 135 Ca 0.00 0.85 -0.02 0.00 -0.53 0.00 0.00 54.79 55.10 1grq n ASP 135 Cb 0.00 -1.43 -0.01 0.00 -0.64 0.00 0.00 41.12 39.04 1grq n ASP 135 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1grq h ARG 136 N 0.72 0.00 -5.67 -1.24 3.08 -1.95 -3.42 114.38 105.91 1grq h ARG 136 Ca -0.49 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.17 1grq h ARG 136 Cb 1.35 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.35 1grq h ARG 136 CO 0.52 0.00 1.16 0.14 -1.07 0.00 0.00 179.97 180.72 1grq s VAL 137 N -1.75 3.63 0.43 2.04 -7.23 -1.26 -4.94 120.40 111.31 1grq s VAL 137 Ca -0.05 -0.86 -0.24 0.00 -1.81 0.00 0.00 61.98 59.02 1grq s VAL 137 Cb 0.01 -4.52 -0.08 0.00 0.56 0.00 0.00 36.38 32.35 1grq s VAL 137 CO 0.08 -1.22 1.16 0.00 -0.31 0.00 0.00 175.10 174.81 1grq s ALA 138 N 9.15 3.07 0.00 1.32 0.00 -1.26 -3.80 121.76 130.23 1grq s ALA 138 Ca 0.65 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1grq s ALA 138 Cb -0.02 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1grq s ALA 138 CO 0.05 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1grq n GLY 139 N 0.52 1.74 0.16 0.00 0.00 -1.26 -2.88 105.19 103.48 1grq n GLY 139 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1grq n GLY 139 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1grq h MET 140 N 0.32 -0.31 -0.98 1.61 2.86 -1.66 -2.51 114.93 114.27 1grq h MET 140 Ca 0.00 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1grq h MET 140 Cb 0.00 0.07 -0.15 0.00 0.06 0.00 0.00 31.60 31.58 1grq h MET 140 CO 0.00 -0.05 -0.44 0.00 1.06 0.00 0.00 176.91 177.48 1grq h ALA 141 N 0.14 -0.04 -0.36 6.32 0.00 -1.88 0.14 119.26 123.57 1grq h ALA 141 Ca -0.03 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1grq h ALA 141 Cb 0.41 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1grq h ALA 141 CO 0.05 -0.72 0.04 0.00 0.00 0.00 0.00 179.25 178.63 1grq h ALA 142 N 1.12 0.48 -0.03 0.00 0.00 -1.73 -1.62 119.26 117.48 1grq h ALA 142 Ca 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1grq h ALA 142 Cb 0.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1grq h ALA 142 CO -0.96 0.20 -0.06 0.87 0.00 0.00 0.00 179.25 179.29 1grq h LYS 143 N 0.43 0.04 0.00 0.00 1.57 -0.47 -3.18 116.57 114.96 1grq h LYS 143 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1grq h LYS 143 Cb 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1grq h LYS 143 CO 0.01 0.11 -1.16 1.04 -0.57 0.00 0.00 179.45 178.88 1grq n GLN 144 N -4.44 0.93 -0.42 3.15 6.02 0.27 -4.63 117.38 118.25 1grq n GLN 144 Ca -0.02 -0.05 0.34 0.00 -0.01 0.00 0.00 57.00 57.26 1grq n GLN 144 Cb 0.16 -1.37 0.64 0.00 1.02 0.00 0.00 30.24 30.68 1grq n GLN 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1grq h ALA 145 N 2.26 2.74 0.00 -1.58 0.00 -1.27 -3.27 119.26 118.15 1grq h ALA 145 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1grq h ALA 145 Cb 0.55 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1grq h ALA 145 CO 0.00 -1.28 -1.09 0.66 0.00 0.00 0.00 179.25 177.54 1grq n TYR 146 N -4.56 0.00 -0.36 0.00 4.02 -1.26 -4.70 117.16 110.30 1grq n TYR 146 Ca 0.33 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.27 1grq n TYR 146 Cb 1.32 -0.06 0.20 0.00 -0.02 0.00 0.00 39.34 40.78 1grq n TYR 146 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1grq h VAL 147 N -0.01 0.99 0.00 -0.72 -1.51 -1.82 -2.57 116.25 110.61 1grq h VAL 147 Ca -0.04 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1grq h VAL 147 Cb 1.05 -0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 1grq h VAL 147 CO -0.01 0.19 0.11 1.33 -1.23 0.00 0.00 177.57 177.96 1grq n VAL 148 N -4.59 0.93 0.31 7.19 0.24 -1.23 -1.70 118.33 119.48 1grq n VAL 148 Ca 0.17 0.72 0.10 0.00 -2.04 0.00 0.00 64.34 63.29 1grq n VAL 148 Cb 0.27 -1.72 -0.15 0.00 -1.47 0.00 0.00 33.84 30.77 1grq n VAL 148 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1grq n HIS 149 N -2.12 0.00 -1.50 6.34 8.25 -0.97 -4.34 115.22 120.88 1grq n HIS 149 Ca -0.01 0.00 -0.51 0.00 -0.26 0.00 0.00 57.72 56.94 1grq n HIS 149 Cb 0.14 -0.33 -0.07 0.00 1.12 0.00 0.00 29.99 30.85 1grq n HIS 149 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1grq n GLU 150 N -2.00 1.25 -1.00 -0.41 1.02 -0.69 -0.81 120.64 118.01 1grq n GLU 150 Ca -0.01 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1grq n GLU 150 Cb 0.48 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1grq n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1grq n GLY 151 N 6.09 0.47 3.74 0.62 0.00 -1.26 -2.52 105.19 112.32 1grq n GLY 151 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 1grq n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1grq s VAL 152 N -1.95 5.20 -0.25 1.61 1.01 0.01 -4.37 120.40 121.66 1grq s VAL 152 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 1grq s VAL 152 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1grq s VAL 152 CO 0.00 0.38 0.23 -1.61 0.00 0.00 0.00 175.10 174.10 1grq s GLU 153 N 0.34 4.05 0.29 2.72 2.02 -1.26 -5.04 118.70 121.81 1grq s GLU 153 Ca 0.23 -0.17 0.08 0.00 0.02 0.00 0.00 54.97 55.14 1grq s GLU 153 Cb -0.15 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 1grq s GLU 153 CO 0.09 -0.07 0.11 0.71 0.02 0.00 0.00 175.26 176.12 1grq s TYR 154 N 1.42 2.82 -0.11 1.61 1.51 -1.26 -4.90 117.35 118.43 1grq s TYR 154 Ca 0.10 -0.24 0.21 0.00 -1.01 0.00 0.00 57.07 56.13 1grq s TYR 154 Cb -0.15 -1.41 -0.31 0.00 -0.11 0.00 0.00 41.96 39.99 1grq s TYR 154 CO 0.07 0.49 0.49 -0.25 -1.11 0.00 0.00 175.55 175.24 1grq n ASP 155 N -1.07 0.36 -3.75 2.29 8.00 0.15 -4.96 116.55 117.57 1grq n ASP 155 Ca -0.06 -0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.23 1grq n ASP 155 Cb 0.59 1.85 -0.08 0.00 -0.02 0.00 0.00 41.12 43.47 1grq n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1grq s VAL 156 N -3.38 0.07 -0.07 2.53 1.01 -1.08 -4.99 120.40 114.49 1grq s VAL 156 Ca -0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1grq s VAL 156 Cb 0.13 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.75 1grq s VAL 156 CO 0.85 -0.31 0.15 -1.61 0.00 0.00 0.00 175.10 174.17 1grq s GLU 157 N -2.01 0.05 0.19 2.72 2.02 -1.26 -1.56 118.70 118.85 1grq s GLU 157 Ca -0.09 0.46 0.11 0.00 0.02 0.00 0.00 54.97 55.47 1grq s GLU 157 Cb -0.03 -0.24 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 1grq s GLU 157 CO 0.00 -0.24 -0.20 0.14 0.02 0.00 0.00 175.26 174.98 1grq s VAL 158 N 1.74 2.58 -0.15 2.63 -7.23 -0.17 -4.96 120.40 114.84 1grq s VAL 158 Ca -0.03 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1grq s VAL 158 Cb -0.12 -2.26 0.04 0.00 0.56 0.00 0.00 36.38 34.60 1grq s VAL 158 CO -0.06 -0.13 -0.06 -0.62 -0.31 0.00 0.00 175.10 173.92 1grq s ASP 159 N -2.76 2.71 0.00 4.85 -1.08 -1.26 -1.05 116.67 118.08 1grq s ASP 159 Ca 0.22 -0.59 0.09 0.00 -0.52 0.00 0.00 52.55 51.75 1grq s ASP 159 Cb -0.08 -0.93 0.26 0.00 -1.46 0.00 0.00 42.92 40.71 1grq s ASP 159 CO 0.11 -0.16 1.21 0.35 0.52 0.00 0.00 175.17 177.21 1grq n THR 160 N 4.87 0.35 -0.16 1.71 -2.24 0.72 -3.62 114.28 115.92 1grq n THR 160 Ca -0.12 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 1grq n THR 160 Cb 0.48 0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1grq n THR 160 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1grq h THR 161 N 1.58 1.25 0.00 4.28 2.02 -1.92 -3.35 112.91 116.77 1grq h THR 161 Ca 0.00 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1grq h THR 161 Cb 0.36 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1grq h THR 161 CO 0.00 0.33 0.00 1.41 0.37 0.00 0.00 175.52 177.63 1grq n HIS 162 N -4.44 0.00 -4.70 3.16 8.25 -1.26 -5.00 115.22 111.22 1grq n HIS 162 Ca 0.00 -0.03 -0.32 0.00 -0.26 0.00 0.00 57.72 57.11 1grq n HIS 162 Cb 0.26 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.24 1grq n HIS 162 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1grq s LYS 163 N -0.06 2.43 0.87 -0.41 1.02 -1.24 -5.12 119.74 117.23 1grq s LYS 163 Ca 0.00 -0.76 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 1grq s LYS 163 Cb 0.00 -2.38 0.11 0.00 -0.52 0.00 0.00 37.83 35.04 1grq s LYS 163 CO 0.00 0.60 1.10 -1.21 -0.92 0.00 0.00 175.35 174.92 1grq s GLU 164 N -1.09 1.49 0.04 1.68 0.41 -1.26 -4.52 118.70 115.45 1grq s GLU 164 Ca 0.14 0.71 -0.25 0.00 -0.41 0.00 0.00 54.97 55.16 1grq s GLU 164 Cb -0.11 -1.84 -0.17 0.00 -1.78 0.00 0.00 34.13 30.23 1grq s GLU 164 CO 0.04 -2.05 1.52 0.77 -0.49 0.00 0.00 175.26 175.05 1grq h SER 165 N -1.41 -0.08 -0.49 -0.19 0.02 -1.95 -1.82 113.55 107.65 1grq h SER 165 Ca -0.49 -0.18 0.14 0.00 -0.84 0.00 0.00 61.79 60.42 1grq h SER 165 Cb 1.28 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 1grq h SER 165 CO 0.57 0.13 0.36 -0.29 -1.14 0.00 0.00 176.83 176.46 1grq h ILE 166 N -0.29 0.72 0.10 3.27 6.09 -1.94 0.24 117.51 125.70 1grq h ILE 166 Ca -0.01 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.22 1grq h ILE 166 Cb 0.25 0.75 0.03 0.00 0.47 0.00 0.00 36.82 38.32 1grq h ILE 166 CO 0.02 0.00 -1.08 -0.33 -3.07 0.00 0.00 178.15 173.69 1grq h GLU 167 N 0.00 0.55 0.00 2.19 5.08 -1.85 -2.70 114.58 117.85 1grq h GLU 167 Ca 0.23 -0.73 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1grq h GLU 167 Cb 0.95 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1grq h GLU 167 CO -0.00 1.32 -0.24 0.00 -1.00 0.00 0.00 179.01 179.09 1grq h ALA 169 N 1.76 0.72 -0.41 0.00 0.00 -0.95 -2.29 119.26 118.09 1grq h ALA 169 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1grq h ALA 169 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1grq h ALA 169 CO 0.03 0.66 -0.13 -1.49 0.00 0.00 0.00 179.25 178.33 1grq h TRP 170 N 0.65 0.92 -0.28 0.00 6.55 -1.04 0.30 115.95 123.05 1grq h TRP 170 Ca 0.06 -0.21 -0.05 0.00 0.95 0.00 0.00 58.89 59.64 1grq h TRP 170 Cb 0.91 -0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 28.98 1grq h TRP 170 CO 0.05 0.95 -0.04 0.00 -1.05 0.00 0.00 178.44 178.35 1grq h ALA 171 N 0.84 1.41 0.08 1.49 0.00 -1.31 -2.65 119.26 119.11 1grq h ALA 171 Ca 0.10 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1grq h ALA 171 Cb 0.67 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1grq h ALA 171 CO 0.05 0.41 -0.87 0.82 0.00 0.00 0.00 179.25 179.66 1grq h ILE 172 N 0.42 1.41 -0.86 0.00 2.04 -1.24 -3.30 117.51 115.97 1grq h ILE 172 Ca 0.09 -2.33 0.05 0.00 1.00 0.00 0.00 64.86 63.67 1grq h ILE 172 Cb 0.35 2.81 -0.05 0.00 -0.74 0.00 0.00 36.82 39.18 1grq h ILE 172 CO 0.01 0.68 0.56 0.00 0.00 0.00 0.00 178.15 179.41 1grq h ALA 173 N 0.24 1.52 0.00 1.87 0.00 -0.83 -1.33 119.26 120.73 1grq h ALA 173 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1grq h ALA 173 Cb 1.60 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1grq h ALA 173 CO 0.17 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1grq n ALA 174 N -2.41 1.06 -0.19 0.00 0.00 -1.01 -1.03 120.51 116.93 1grq n ALA 174 Ca 0.12 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.68 1grq n ALA 174 Cb 0.16 -1.08 0.21 0.00 0.00 0.00 0.00 19.45 18.74 1grq n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1grq n HIS 175 N -1.66 0.61 -3.24 0.00 -0.00 -0.50 -4.92 115.22 105.51 1grq n HIS 175 Ca -0.00 -0.47 -0.42 0.00 -0.00 0.00 0.00 57.72 56.83 1grq n HIS 175 Cb 0.02 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 29.92 1grq n HIS 175 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1grq s VAL 176 N -1.02 5.00 -0.29 1.59 1.01 -0.20 -5.01 120.40 121.48 1grq s VAL 176 Ca 0.32 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.11 1grq s VAL 176 Cb 0.17 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1grq s VAL 176 CO 0.22 -0.35 1.02 -0.69 0.00 0.00 0.00 175.10 175.30 1grq s VAL 177 N 2.39 4.60 -2.00 2.92 1.01 -1.26 -4.94 120.40 123.13 1grq s VAL 177 Ca 0.17 1.71 0.11 0.00 0.00 0.00 0.00 61.98 63.98 1grq s VAL 177 Cb -0.16 -4.34 0.32 0.00 0.00 0.00 0.00 36.38 32.20 1grq s VAL 177 CO 0.15 -0.36 1.11 -0.81 0.00 0.00 0.00 175.10 175.19