#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grr n THR 2 N 0.00 0.20 -2.10 1.12 -1.04 -1.26 -4.69 114.28 106.51 1grr n THR 2 Ca 0.00 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1grr n THR 2 Cb 0.00 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 66.97 1grr n THR 2 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1grr s THR 3 N 2.02 3.69 -0.48 12.58 2.01 0.48 -4.72 115.64 131.22 1grr s THR 3 Ca 0.85 0.80 0.20 0.00 0.31 0.00 0.00 61.69 63.85 1grr s THR 3 Cb -0.75 -3.65 -0.26 0.00 0.01 0.00 0.00 72.50 67.85 1grr s THR 3 CO 0.45 -0.22 0.63 0.54 -0.69 0.00 0.00 174.62 175.34 1grr n ARG 4 N 7.48 0.61 -3.66 4.92 5.12 -0.72 -4.83 116.66 125.58 1grr n ARG 4 Ca 0.18 -0.09 -0.07 0.00 -1.93 0.00 0.00 57.85 55.94 1grr n ARG 4 Cb 0.45 -1.44 -0.08 0.00 -1.16 0.00 0.00 32.46 30.22 1grr n ARG 4 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1grr s MET 5 N -3.10 0.59 -0.21 5.56 1.75 -0.94 -3.01 119.30 119.93 1grr s MET 5 Ca 0.00 1.12 -0.06 0.00 -1.25 0.00 0.00 55.69 55.50 1grr s MET 5 Cb 0.14 0.18 -0.03 0.00 2.84 0.00 0.00 34.83 37.96 1grr s MET 5 CO 0.81 -0.16 0.03 0.42 -0.65 0.00 0.00 175.02 175.47 1grr s ILE 6 N 1.77 4.17 -0.28 10.11 1.01 -0.24 -0.48 121.20 137.26 1grr s ILE 6 Ca -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1grr s ILE 6 Cb -0.07 -2.91 0.04 0.00 0.01 0.00 0.00 42.46 39.53 1grr s ILE 6 CO -0.18 0.40 -0.04 -0.63 0.00 0.00 0.00 174.94 174.50 1grr s ILE 7 N 1.13 2.84 -0.03 2.92 1.01 -0.64 -0.13 121.20 128.31 1grr s ILE 7 Ca 0.03 -1.27 -0.13 0.00 0.00 0.00 0.00 60.65 59.28 1grr s ILE 7 Cb -0.14 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1grr s ILE 7 CO 0.02 0.02 0.35 -0.76 0.00 0.00 0.00 174.94 174.58 1grr s LEU 8 N 1.26 4.45 -0.05 2.97 1.02 0.29 -0.82 118.68 127.81 1grr s LEU 8 Ca -0.04 0.85 0.00 0.00 0.02 0.00 0.00 54.13 54.97 1grr s LEU 8 Cb -0.19 -2.48 0.02 0.00 0.02 0.00 0.00 46.19 43.57 1grr s LEU 8 CO -0.03 0.33 -0.02 0.21 0.02 0.00 0.00 176.35 176.86 1grr s ASN 9 N -1.02 0.98 -0.24 2.29 2.47 -0.43 0.13 114.94 119.13 1grr s ASN 9 Ca 0.22 -0.09 -0.31 0.00 0.42 0.00 0.00 52.86 53.10 1grr s ASN 9 Cb -0.16 -0.39 0.17 0.00 -1.45 0.00 0.00 41.25 39.41 1grr s ASN 9 CO 0.11 -0.10 1.24 -0.83 -3.72 0.00 0.00 177.10 173.81 1grr s GLY 10 N 1.19 -0.07 1.15 1.21 0.00 -1.16 -0.38 107.32 109.26 1grr s GLY 10 Ca -0.07 2.40 -0.13 0.00 0.00 0.00 0.00 44.72 46.92 1grr s GLY 10 CO -0.02 0.98 1.04 -0.32 0.00 0.00 0.00 173.10 174.78 1grr s GLY 11 N -1.27 1.54 0.48 0.20 0.00 -1.26 -4.51 107.32 102.51 1grr s GLY 11 Ca 0.06 -0.22 -0.24 0.00 0.00 0.00 0.00 44.72 44.33 1grr s GLY 11 CO -0.05 0.49 1.32 -0.45 0.00 0.00 0.00 173.10 174.42 1grr s SER 12 N -2.72 5.77 -0.41 1.64 0.15 -1.26 -2.45 113.70 114.42 1grr s SER 12 Ca 0.68 2.69 0.00 0.00 0.70 0.00 0.00 55.95 60.01 1grr s SER 12 Cb -0.24 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 1grr s SER 12 CO 0.63 -1.22 0.00 -1.20 1.20 0.00 0.00 173.24 172.65 1grr n SER 13 N -0.53 -4.89 0.00 5.45 7.64 -1.26 -4.42 113.62 115.61 1grr n SER 13 Ca 0.07 0.10 0.13 0.00 1.01 0.00 0.00 58.87 60.18 1grr n SER 13 Cb 0.45 -2.73 0.59 0.00 -1.01 0.00 0.00 64.21 61.51 1grr n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1grr n ALA 14 N 1.07 2.23 0.00 -0.43 0.00 -1.03 -4.73 120.51 117.63 1grr n ALA 14 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1grr n ALA 14 Cb 0.36 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1grr n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1grr n GLY 15 N 1.13 1.09 0.42 0.00 0.00 -1.26 -4.59 105.19 101.97 1grr n GLY 15 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1grr n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1grr h LYS 16 N 3.00 -0.63 -0.67 1.61 1.57 -1.90 -2.63 116.57 116.93 1grr h LYS 16 Ca 0.00 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.96 1grr h LYS 16 Cb 0.00 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 32.33 1grr h LYS 16 CO 0.00 -0.42 -0.17 0.77 -0.57 0.00 0.00 179.45 179.06 1grr h SER 17 N -0.65 -0.62 -0.57 0.86 0.02 -1.99 -0.39 113.55 110.21 1grr h SER 17 Ca 0.02 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1grr h SER 17 Cb 0.69 0.41 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1grr h SER 17 CO -0.27 -0.22 0.37 1.23 -1.14 0.00 0.00 176.83 176.80 1grr h GLY 18 N -0.00 0.80 0.78 -3.77 0.00 -1.96 -1.98 103.07 96.93 1grr h GLY 18 Ca 0.32 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.38 1grr h GLY 18 CO -0.69 0.29 0.17 -2.22 0.00 0.00 0.00 176.54 174.10 1grr h ILE 19 N 0.77 0.95 0.22 2.60 2.04 -0.80 -0.97 117.51 122.31 1grr h ILE 19 Ca 0.21 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.96 1grr h ILE 19 Cb -0.08 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1grr h ILE 19 CO -0.04 0.06 -0.41 0.58 0.00 0.00 0.00 178.15 178.34 1grr h VAL 20 N 0.35 0.17 -0.69 1.67 2.07 -0.69 0.43 116.25 119.56 1grr h VAL 20 Ca 0.16 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.80 1grr h VAL 20 Cb 0.09 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1grr h VAL 20 CO -0.13 0.00 0.46 0.03 0.02 0.00 0.00 177.57 177.96 1grr h ARG 21 N -0.71 0.43 0.00 1.57 3.08 -1.12 -0.06 114.38 117.57 1grr h ARG 21 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1grr h ARG 21 Cb 0.70 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1grr h ARG 21 CO -0.18 0.28 -0.00 0.00 -1.07 0.00 0.00 179.97 179.00 1grr h LEU 23 N -0.54 0.41 -0.72 0.00 3.38 0.71 0.17 115.31 118.73 1grr h LEU 23 Ca -0.00 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1grr h LEU 23 Cb 0.53 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1grr h LEU 23 CO 0.00 0.21 0.45 1.56 0.09 0.00 0.00 178.44 180.75 1grr h GLN 24 N 0.55 0.86 -0.40 1.13 4.20 -1.02 0.17 115.11 120.60 1grr h GLN 24 Ca 0.38 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 1grr h GLN 24 Cb 0.49 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1grr h GLN 24 CO -0.32 0.57 -0.24 1.03 -0.67 0.00 0.00 178.83 179.20 1grr h SER 25 N 0.89 0.91 0.06 1.46 0.87 -0.74 -3.35 113.55 113.65 1grr h SER 25 Ca 0.28 -0.42 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1grr h SER 25 Cb 0.00 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1grr h SER 25 CO -0.10 1.13 -0.03 0.58 -0.53 0.00 0.00 176.83 177.88 1grr h VAL 26 N 0.69 0.00 -1.49 2.23 2.07 -0.09 -3.44 116.25 116.21 1grr h VAL 26 Ca 0.08 -0.03 -0.71 0.00 0.82 0.00 0.00 66.70 66.86 1grr h VAL 26 Cb 0.81 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1grr h VAL 26 CO 0.07 0.00 0.39 0.18 0.02 0.00 0.00 177.57 178.23 1grr n LEU 27 N -2.30 1.27 -0.11 2.57 4.77 0.54 -4.89 117.00 118.86 1grr n LEU 27 Ca -0.01 1.13 -0.09 0.00 -0.03 0.00 0.00 56.01 57.01 1grr n LEU 27 Cb 0.03 -1.11 -0.01 0.00 -2.33 0.00 0.00 43.42 40.00 1grr n LEU 27 CO 0.02 -1.22 0.98 1.55 -1.33 0.00 0.00 177.39 177.40 1grr h PRO 28 N 4.34 0.47 -6.87 3.23 0.13 -1.88 -3.43 132.00 127.99 1grr h PRO 28 Ca -0.48 -0.05 -0.47 0.00 -0.87 0.00 0.00 66.00 64.13 1grr h PRO 28 Cb 1.36 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1grr h PRO 28 CO 0.76 0.37 0.26 -1.21 -0.23 0.00 0.00 178.00 177.95 1grr s GLU 29 N -5.95 4.31 0.09 0.86 0.41 -1.26 -5.00 118.70 112.15 1grr s GLU 29 Ca -0.13 1.07 -0.31 0.00 -0.41 0.00 0.00 54.97 55.19 1grr s GLU 29 Cb 0.10 -2.52 -0.08 0.00 -1.78 0.00 0.00 34.13 29.85 1grr s GLU 29 CO 0.72 0.16 1.49 -1.25 -0.49 0.00 0.00 175.26 175.90 1grr s PRO 30 N -2.61 4.26 -0.12 0.39 0.04 -1.26 -5.00 135.00 130.70 1grr s PRO 30 Ca 0.54 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1grr s PRO 30 Cb -0.13 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 1grr s PRO 30 CO 0.18 -0.57 -0.13 -1.58 0.04 0.00 0.00 177.00 174.94 1grr s TRP 31 N 1.79 2.80 0.11 0.56 0.52 -1.26 -4.33 118.94 119.13 1grr s TRP 31 Ca 0.68 -0.58 -0.20 0.00 0.02 0.00 0.00 56.10 56.02 1grr s TRP 31 Cb -0.38 -1.82 -0.07 0.00 -1.15 0.00 0.00 33.47 30.06 1grr s TRP 31 CO 0.30 -0.16 0.61 -0.51 0.02 0.00 0.00 176.95 177.21 1grr s LEU 32 N 0.22 4.50 -0.11 2.99 1.43 0.41 -4.88 118.68 123.24 1grr s LEU 32 Ca -0.08 1.31 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 1grr s LEU 32 Cb -0.15 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.00 1grr s LEU 32 CO 0.05 0.23 -0.17 0.00 0.23 0.00 0.00 176.35 176.69 1grr s ALA 33 N -1.19 2.46 0.11 4.21 0.00 -1.26 0.83 121.76 126.93 1grr s ALA 33 Ca 0.32 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1grr s ALA 33 Cb -0.19 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1grr s ALA 33 CO 0.20 0.28 -0.02 -0.06 0.00 0.00 0.00 175.76 176.17 1grr s PHE 34 N 0.28 0.88 0.23 0.00 0.40 -0.29 -4.97 117.98 114.51 1grr s PHE 34 Ca -0.12 -1.04 -0.20 0.00 -0.60 0.00 0.00 56.93 54.96 1grr s PHE 34 Cb -0.16 -0.52 0.07 0.00 0.51 0.00 0.00 43.02 42.92 1grr s PHE 34 CO 0.06 -0.29 0.99 0.20 0.70 0.00 0.00 175.22 176.88 1grr s GLY 35 N -3.05 0.21 0.26 4.36 0.00 -1.26 -2.61 107.32 105.23 1grr s GLY 35 Ca 0.16 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.37 1grr s GLY 35 CO -0.02 2.07 1.89 -0.24 0.00 0.00 0.00 173.10 176.80 1grr h VAL 36 N 2.00 1.24 -0.27 1.40 3.04 -1.93 -0.20 116.25 121.53 1grr h VAL 36 Ca -0.29 -0.59 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 1grr h VAL 36 Cb 1.22 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.63 1grr h VAL 36 CO 0.38 0.27 0.12 0.44 -1.01 0.00 0.00 177.57 177.77 1grr h ASP 37 N 1.13 0.36 0.61 3.17 3.32 -1.95 0.17 116.42 123.24 1grr h ASP 37 Ca 0.29 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1grr h ASP 37 Cb 0.03 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1grr h ASP 37 CO -0.05 0.40 -0.08 0.77 -1.72 0.00 0.00 179.24 178.56 1grr h SER 38 N 0.30 0.00 0.03 6.45 4.64 -1.85 -1.06 113.55 122.05 1grr h SER 38 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1grr h SER 38 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1grr h SER 38 CO -0.01 0.08 -0.01 0.25 -0.87 0.00 0.00 176.83 176.27 1grr h LEU 39 N 0.00 -0.03 -0.82 5.97 6.46 -0.29 -1.78 115.31 124.83 1grr h LEU 39 Ca -0.00 -0.64 0.18 0.00 -0.12 0.00 0.00 57.88 57.30 1grr h LEU 39 Cb 0.41 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 40.24 1grr h LEU 39 CO 0.01 0.65 0.32 0.40 -0.62 0.00 0.00 178.44 179.20 1grr h ILE 40 N -0.73 0.55 -0.56 4.05 1.08 -0.39 0.24 117.51 121.74 1grr h ILE 40 Ca -0.00 -0.14 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 1grr h ILE 40 Cb 0.67 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1grr h ILE 40 CO 0.01 0.07 0.35 -0.33 -0.69 0.00 0.00 178.15 177.56 1grr h GLU 41 N 0.40 0.68 0.00 2.37 4.39 -1.11 -2.25 114.58 119.05 1grr h GLU 41 Ca 0.48 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 60.09 1grr h GLU 41 Cb 0.83 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1grr h GLU 41 CO -0.48 0.45 -0.22 0.00 -1.16 0.00 0.00 179.01 177.60 1grr h ALA 42 N 1.24 1.05 -2.26 3.43 0.00 0.25 -3.44 119.26 119.52 1grr h ALA 42 Ca 0.22 -0.20 -0.46 0.00 0.00 0.00 0.00 54.91 54.47 1grr h ALA 42 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1grr h ALA 42 CO -0.08 0.28 0.36 -1.64 0.00 0.00 0.00 179.25 178.16 1grr s MET 43 N -3.71 4.25 0.42 0.00 -1.94 0.32 -5.00 119.30 113.64 1grr s MET 43 Ca 0.00 1.26 -0.26 0.00 -1.71 0.00 0.00 55.69 54.98 1grr s MET 43 Cb 0.11 -2.38 -0.10 0.00 2.01 0.00 0.00 34.83 34.47 1grr s MET 43 CO 0.63 -0.02 1.44 -0.35 -0.01 0.00 0.00 175.02 176.71 1grr n PRO 44 N -0.30 2.39 -0.31 2.03 -0.04 -1.26 -4.87 135.00 132.65 1grr n PRO 44 Ca 0.06 0.85 0.19 0.00 -0.04 0.00 0.00 63.50 64.56 1grr n PRO 44 Cb 0.52 -2.63 0.46 0.00 -0.04 0.00 0.00 33.50 31.82 1grr n PRO 44 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1grr h LEU 45 N 2.54 0.53 -2.20 1.53 6.46 -1.92 0.12 115.31 122.36 1grr h LEU 45 Ca -0.50 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 1grr h LEU 45 Cb 1.26 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1grr h LEU 45 CO 0.62 0.15 -0.06 0.07 -0.62 0.00 0.00 178.44 178.60 1grr h LYS 46 N 0.49 0.00 -0.29 1.25 2.10 -1.98 -1.70 116.57 116.45 1grr h LYS 46 Ca 0.56 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 59.30 1grr h LYS 46 Cb 1.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1grr h LYS 46 CO -0.30 0.06 0.43 0.52 -2.00 0.00 0.00 179.45 178.16 1grr h MET 47 N 0.00 0.00 0.00 0.07 2.86 -1.10 1.27 114.93 118.03 1grr h MET 47 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1grr h MET 47 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1grr h MET 47 CO 0.01 0.00 -0.30 1.04 1.06 0.00 0.00 176.91 178.71 1grr n GLN 48 N -3.44 0.01 0.00 1.72 6.02 -0.64 -1.13 117.38 119.93 1grr n GLN 48 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1grr n GLN 48 Cb 0.56 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1grr n GLN 48 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1grr n SER 49 N -1.52 0.75 -4.91 1.08 2.88 0.37 -4.54 113.62 107.74 1grr n SER 49 Ca 0.06 -0.89 -0.28 0.00 -1.33 0.00 0.00 58.87 56.42 1grr n SER 49 Cb 0.34 0.19 0.08 0.00 -0.75 0.00 0.00 64.21 64.06 1grr n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1grr s ALA 50 N -0.19 2.82 0.00 -1.46 0.00 0.24 -5.03 121.76 118.14 1grr s ALA 50 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1grr s ALA 50 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1grr s ALA 50 CO 0.00 -1.50 0.43 0.39 0.00 0.00 0.00 175.76 175.08 1grr n GLU 51 N -3.17 0.00 0.00 0.00 -0.58 -1.26 -3.48 120.64 112.15 1grr n GLU 51 Ca 0.08 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 1grr n GLU 51 Cb 0.60 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1grr n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1grr n GLY 52 N 0.71 1.35 0.00 0.62 0.00 -1.26 -4.61 105.19 102.00 1grr n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1grr n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grr n GLY 53 N 0.20 0.68 2.93 -0.02 0.00 -1.23 0.48 105.19 108.23 1grr n GLY 53 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1grr n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1grr s ILE 54 N 1.71 -0.02 -0.00 -0.61 2.07 -0.28 0.03 121.20 124.09 1grr s ILE 54 Ca 0.00 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1grr s ILE 54 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.43 1grr s ILE 54 CO 0.00 0.03 -0.11 -1.83 -1.91 0.00 0.00 174.94 171.12 1grr s GLU 55 N 0.47 0.83 -0.65 3.50 -1.05 -0.98 -4.16 118.70 116.66 1grr s GLU 55 Ca -0.03 -0.42 -0.11 0.00 -0.15 0.00 0.00 54.97 54.25 1grr s GLU 55 Cb -0.05 -0.80 0.17 0.00 -0.44 0.00 0.00 34.13 33.00 1grr s GLU 55 CO -0.02 0.22 0.55 -0.06 0.95 0.00 0.00 175.26 176.90 1grr s PHE 56 N -0.34 3.52 0.35 4.83 0.40 -1.26 -2.37 117.98 123.10 1grr s PHE 56 Ca 0.03 -1.97 -0.27 0.00 -0.60 0.00 0.00 56.93 54.11 1grr s PHE 56 Cb -0.05 -3.62 -0.12 0.00 0.51 0.00 0.00 43.02 39.74 1grr s PHE 56 CO -0.00 -0.97 1.21 -0.25 0.70 0.00 0.00 175.22 175.91 1grr n ASP 57 N 4.34 2.34 0.19 1.36 9.92 -1.04 -4.82 116.55 128.84 1grr n ASP 57 Ca 0.02 1.18 0.13 0.00 -0.53 0.00 0.00 54.79 55.59 1grr n ASP 57 Cb 0.42 -1.44 0.68 0.00 -0.64 0.00 0.00 41.12 40.14 1grr n ASP 57 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1grr h ALA 58 N 2.31 1.01 -0.10 2.24 0.00 -1.97 -0.14 119.26 122.62 1grr h ALA 58 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1grr h ALA 58 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1grr h ALA 58 CO 0.61 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 1grr n ASP 59 N -2.38 0.88 0.00 0.00 5.75 -1.26 -4.85 116.55 114.69 1grr n ASP 59 Ca -0.02 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1grr n ASP 59 Cb 0.06 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1grr n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1grr n GLY 60 N 0.94 0.61 3.74 6.12 0.00 -0.08 -4.55 105.19 111.98 1grr n GLY 60 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1grr n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1grr s GLY 61 N -1.24 1.61 -0.22 -0.02 0.00 -1.13 -3.08 107.32 103.24 1grr s GLY 61 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 1grr s GLY 61 CO 0.00 -0.03 0.51 0.14 0.00 0.00 0.00 173.10 173.72 1grr s VAL 62 N -3.26 -0.18 -0.05 1.40 1.01 -1.26 -2.50 120.40 115.57 1grr s VAL 62 Ca 0.67 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1grr s VAL 62 Cb -0.12 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1grr s VAL 62 CO 0.55 0.03 -0.09 -0.94 0.00 0.00 0.00 175.10 174.64 1grr s SER 63 N 1.76 1.37 -0.15 3.32 1.04 -1.00 -5.01 113.70 115.04 1grr s SER 63 Ca -0.08 -0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.07 1grr s SER 63 Cb -0.08 -0.56 -0.04 0.00 0.10 0.00 0.00 66.02 65.44 1grr s SER 63 CO -0.15 0.02 0.05 -0.63 0.98 0.00 0.00 173.24 173.51 1grr s ILE 64 N 0.57 4.69 0.44 -1.02 -1.09 -1.26 -2.32 121.20 121.20 1grr s ILE 64 Ca -0.10 -0.08 0.08 0.00 -2.23 0.00 0.00 60.65 58.31 1grr s ILE 64 Cb -0.13 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1grr s ILE 64 CO 0.02 0.52 0.49 -0.83 -1.23 0.00 0.00 174.94 173.91 1grr s GLY 65 N -0.16 2.04 0.35 6.18 0.00 0.10 -4.96 107.32 110.88 1grr s GLY 65 Ca 0.07 -1.79 0.05 0.00 0.00 0.00 0.00 44.72 43.05 1grr s GLY 65 CO 0.01 -1.63 1.95 -0.56 0.00 0.00 0.00 173.10 172.88 1grr h PRO 66 N 0.79 0.76 -0.44 2.90 0.13 -1.84 -0.98 132.00 133.33 1grr h PRO 66 Ca -0.40 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1grr h PRO 66 Cb 1.28 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1grr h PRO 66 CO 0.51 0.50 0.28 0.93 -0.23 0.00 0.00 178.00 180.00 1grr h GLU 67 N 0.79 0.55 -0.02 0.86 4.39 -0.85 0.25 114.58 120.54 1grr h GLU 67 Ca 0.32 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1grr h GLU 67 Cb 0.25 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1grr h GLU 67 CO -0.11 0.37 0.01 0.35 -1.16 0.00 0.00 179.01 178.47 1grr h PHE 68 N 0.57 0.04 -0.65 4.33 3.04 0.74 -2.85 116.94 122.16 1grr h PHE 68 Ca 0.17 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.15 1grr h PHE 68 Cb -0.04 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.42 1grr h PHE 68 CO -0.05 0.22 0.39 0.00 -2.02 0.00 0.00 178.31 176.84 1grr h ARG 69 N -0.15 0.73 -0.38 1.11 3.08 -0.89 0.95 114.38 118.83 1grr h ARG 69 Ca 0.01 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.08 1grr h ARG 69 Cb 0.20 -0.16 -0.09 0.00 0.08 0.00 0.00 29.97 30.00 1grr h ARG 69 CO -0.00 0.48 -0.40 0.00 -1.07 0.00 0.00 179.97 178.98 1grr h ALA 70 N 1.30 -0.38 0.38 0.04 0.00 -0.36 0.15 119.26 120.39 1grr h ALA 70 Ca 0.27 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1grr h ALA 70 Cb 0.08 0.84 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1grr h ALA 70 CO -0.13 -0.84 -0.18 -0.07 0.00 0.00 0.00 179.25 178.03 1grr h LEU 71 N -0.32 -0.43 -1.05 0.00 3.38 -1.24 -2.92 115.31 112.72 1grr h LEU 71 Ca 0.14 -0.05 0.39 0.00 0.09 0.00 0.00 57.88 58.45 1grr h LEU 71 Cb 0.58 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.28 1grr h LEU 71 CO -0.55 -0.22 0.59 -0.08 0.09 0.00 0.00 178.44 178.26 1grr h GLU 72 N -0.62 0.12 0.39 1.13 4.22 -0.06 -0.73 114.58 119.03 1grr h GLU 72 Ca -0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 1grr h GLU 72 Cb 0.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1grr h GLU 72 CO 0.09 0.08 -0.19 0.78 -2.18 0.00 0.00 179.01 177.59 1grr h GLY 73 N 0.12 -0.55 1.12 1.92 0.00 -0.53 -1.75 103.07 103.40 1grr h GLY 73 Ca 0.81 0.20 0.10 0.00 0.00 0.00 0.00 47.33 48.44 1grr h GLY 73 CO -0.67 -0.20 0.35 0.00 0.00 0.00 0.00 176.54 176.02 1grr h ALA 74 N -0.53 2.15 -0.29 3.60 0.00 -1.23 0.16 119.26 123.12 1grr h ALA 74 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1grr h ALA 74 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1grr h ALA 74 CO 0.09 -0.28 0.08 2.35 0.00 0.00 0.00 179.25 181.50 1grr h TRP 75 N 0.25 0.48 0.02 0.00 7.01 -1.10 -1.24 115.95 121.36 1grr h TRP 75 Ca 0.24 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.20 1grr h TRP 75 Cb 0.61 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 1grr h TRP 75 CO -0.00 0.51 -0.06 0.00 -2.79 0.00 0.00 178.44 176.09 1grr h ALA 76 N 0.91 -0.08 -0.59 2.65 0.00 0.16 -0.16 119.26 122.15 1grr h ALA 76 Ca 0.09 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1grr h ALA 76 Cb 0.26 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1grr h ALA 76 CO -0.00 -0.56 0.40 0.93 0.00 0.00 0.00 179.25 180.02 1grr h GLU 77 N -0.12 0.31 -0.05 0.00 5.08 -0.97 -1.27 114.58 117.56 1grr h GLU 77 Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1grr h GLU 77 Cb 0.14 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1grr h GLU 77 CO -0.05 0.21 -0.02 0.78 -1.00 0.00 0.00 179.01 178.93 1grr h GLY 78 N 0.32 0.11 1.01 -3.84 0.00 0.15 -1.39 103.07 99.44 1grr h GLY 78 Ca 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1grr h GLY 78 CO -0.07 0.09 0.50 -0.39 0.00 0.00 0.00 176.54 176.68 1grr h VAL 79 N -0.25 1.22 -0.79 4.60 -1.51 -0.28 -1.43 116.25 117.81 1grr h VAL 79 Ca 0.01 -0.47 0.02 0.00 -1.23 0.00 0.00 66.70 65.04 1grr h VAL 79 Cb 0.42 0.07 -0.04 0.00 -2.13 0.00 0.00 31.29 29.61 1grr h VAL 79 CO 0.01 0.23 0.52 0.58 -1.23 0.00 0.00 177.57 177.67 1grr h VAL 80 N 1.11 1.16 -1.00 7.19 2.07 -1.22 -1.73 116.25 123.84 1grr h VAL 80 Ca 0.29 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1grr h VAL 80 Cb -0.07 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 29.69 1grr h VAL 80 CO -0.06 0.19 0.66 0.00 0.02 0.00 0.00 177.57 178.38 1grr h ALA 81 N 1.31 1.33 -0.64 1.67 0.00 -0.25 -0.77 119.26 121.91 1grr h ALA 81 Ca 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1grr h ALA 81 Cb -0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1grr h ALA 81 CO -0.09 0.58 0.23 0.52 0.00 0.00 0.00 179.25 180.49 1grr h MET 82 N 1.29 0.95 0.32 0.00 2.86 -0.43 0.13 114.93 120.06 1grr h MET 82 Ca 0.39 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1grr h MET 82 Cb -0.04 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.47 1grr h MET 82 CO -0.11 0.80 -0.15 0.00 1.06 0.00 0.00 176.91 178.50 1grr h ALA 83 N 1.32 -0.43 -0.00 6.32 0.00 -0.73 -0.34 119.26 125.40 1grr h ALA 83 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1grr h ALA 83 Cb 0.22 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1grr h ALA 83 CO -0.01 -0.64 0.01 0.00 0.00 0.00 0.00 179.25 178.60 1grr h ARG 84 N -0.64 0.00 0.00 0.00 3.08 -0.93 0.91 114.38 116.81 1grr h ARG 84 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1grr h ARG 84 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1grr h ARG 84 CO 0.07 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 1grr n ALA 85 N -2.24 2.35 0.00 0.04 0.00 0.44 -4.87 120.51 116.23 1grr n ALA 85 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1grr n ALA 85 Cb 0.08 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1grr n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1grr n GLY 86 N 0.94 0.60 3.76 0.00 0.00 0.32 -5.05 105.19 105.75 1grr n GLY 86 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1grr n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grr s ALA 87 N -2.00 3.43 -0.09 4.61 0.00 -0.20 -4.98 121.76 122.52 1grr s ALA 87 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 1grr s ALA 87 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1grr s ALA 87 CO 0.00 0.16 1.02 1.03 0.00 0.00 0.00 175.76 177.97 1grr s ARG 88 N -0.41 4.43 -0.14 0.00 0.52 -1.26 -3.76 118.95 118.34 1grr s ARG 88 Ca 0.36 1.41 0.01 0.00 -0.52 0.00 0.00 55.73 56.99 1grr s ARG 88 Cb -0.21 -3.53 -0.00 0.00 0.52 0.00 0.00 34.95 31.73 1grr s ARG 88 CO 0.22 -0.30 -0.17 0.42 0.02 0.00 0.00 175.30 175.50 1grr s ILE 89 N 1.93 2.62 -0.12 1.52 -1.09 -1.16 -0.44 121.20 124.46 1grr s ILE 89 Ca 0.49 -0.80 -0.03 0.00 -2.23 0.00 0.00 60.65 58.08 1grr s ILE 89 Cb -0.19 -2.08 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 1grr s ILE 89 CO 0.19 0.53 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.78 1grr s ILE 90 N 0.58 4.14 -0.13 2.92 1.01 0.24 -1.08 121.20 128.89 1grr s ILE 90 Ca -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 1grr s ILE 90 Cb -0.16 -2.77 0.05 0.00 0.01 0.00 0.00 42.46 39.59 1grr s ILE 90 CO 0.03 0.55 0.05 -0.63 0.00 0.00 0.00 174.94 174.94 1grr s ILE 91 N -0.34 0.21 -0.24 2.92 1.01 0.81 -1.14 121.20 124.43 1grr s ILE 91 Ca 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 1grr s ILE 91 Cb -0.12 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1grr s ILE 91 CO 0.02 -0.04 0.10 1.51 0.00 0.00 0.00 174.94 176.53 1grr s ASP 92 N 2.02 5.54 0.24 3.58 -4.77 -1.07 0.10 116.67 122.31 1grr s ASP 92 Ca 0.02 -0.06 0.01 0.00 -3.30 0.00 0.00 52.55 49.23 1grr s ASP 92 Cb -0.15 -1.99 -0.00 0.00 -1.09 0.00 0.00 42.92 39.69 1grr s ASP 92 CO -0.07 0.03 0.04 -0.67 0.70 0.00 0.00 175.17 175.20 1grr n ASP 93 N 4.50 1.95 -3.44 2.11 2.03 0.12 -3.15 116.55 120.66 1grr n ASP 93 Ca -0.16 -2.15 -0.25 0.00 0.52 0.00 0.00 54.79 52.75 1grr n ASP 93 Cb 0.52 0.36 -0.11 0.00 -0.72 0.00 0.00 41.12 41.16 1grr n ASP 93 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1grr s VAL 94 N -2.14 -0.06 -0.91 5.18 1.01 -1.26 -2.96 120.40 119.25 1grr s VAL 94 Ca 0.05 -1.30 -0.26 0.00 0.00 0.00 0.00 61.98 60.48 1grr s VAL 94 Cb 0.00 -0.97 -0.20 0.00 0.00 0.00 0.00 36.38 35.21 1grr s VAL 94 CO 0.04 -0.81 1.95 0.49 0.00 0.00 0.00 175.10 176.77 1grr n PHE 95 N 4.36 1.51 0.00 5.22 3.72 -1.26 -4.71 117.46 126.30 1grr n PHE 95 Ca 0.08 -0.87 0.07 0.00 -0.05 0.00 0.00 57.45 56.68 1grr n PHE 95 Cb 0.40 -2.21 0.47 0.00 -0.94 0.00 0.00 39.48 37.20 1grr n PHE 95 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1grr h LEU 96 N 19.15 0.39 -1.94 4.37 3.38 -1.95 0.19 115.31 138.91 1grr h LEU 96 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1grr h LEU 96 Cb 0.89 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1grr h LEU 96 CO 1.36 0.27 0.00 0.61 0.09 0.00 0.00 178.44 180.77 1grr n GLY 97 N -1.50 1.74 7.00 0.83 0.00 -1.26 -4.75 105.19 107.25 1grr n GLY 97 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1grr n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grr n GLY 98 N 0.52 2.90 0.30 -0.02 0.00 0.67 -0.81 105.19 108.75 1grr n GLY 98 Ca 0.13 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1grr n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grr h ALA 99 N -0.33 1.19 -0.73 4.61 0.00 -1.76 0.17 119.26 122.41 1grr h ALA 99 Ca 0.00 0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.25 1grr h ALA 99 Cb 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 1grr h ALA 99 CO 0.00 -0.42 0.30 0.00 0.00 0.00 0.00 179.25 179.13 1grr h ALA 100 N 1.73 1.02 -0.83 0.00 0.00 -1.31 -0.78 119.26 119.09 1grr h ALA 100 Ca 0.51 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.53 1grr h ALA 100 Cb 0.99 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1grr h ALA 100 CO -0.61 -0.17 0.55 0.00 0.00 0.00 0.00 179.25 179.01 1grr h ALA 101 N 1.51 1.05 -0.18 0.00 0.00 -0.60 -1.95 119.26 119.09 1grr h ALA 101 Ca 0.39 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1grr h ALA 101 Cb 0.55 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1grr h ALA 101 CO -0.37 0.45 -0.24 0.37 0.00 0.00 0.00 179.25 179.47 1grr h GLN 102 N 1.12 0.33 -0.14 0.00 4.15 -0.93 -2.26 115.11 117.37 1grr h GLN 102 Ca 0.31 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 1grr h GLN 102 Cb -0.12 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1grr h GLN 102 CO -0.07 0.55 -0.04 0.93 -1.93 0.00 0.00 178.83 178.28 1grr h GLU 103 N 0.30 0.27 -0.50 1.69 4.39 -0.88 -0.60 114.58 119.25 1grr h GLU 103 Ca 0.05 -0.11 0.10 0.00 0.34 0.00 0.00 59.36 59.74 1grr h GLU 103 Cb 0.59 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.12 1grr h GLU 103 CO 0.04 0.56 -0.22 -0.09 -1.16 0.00 0.00 179.01 178.14 1grr h ARG 104 N -0.03 -0.10 0.04 2.33 2.43 -1.10 0.30 114.38 118.25 1grr h ARG 104 Ca 0.04 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1grr h ARG 104 Cb 0.46 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1grr h ARG 104 CO 0.01 -0.07 -0.13 -1.49 -1.51 0.00 0.00 179.97 176.79 1grr h TRP 105 N -0.11 -0.34 -0.90 2.20 4.06 -1.24 -2.75 115.95 116.88 1grr h TRP 105 Ca 0.23 0.01 0.24 0.00 2.06 0.00 0.00 58.89 61.44 1grr h TRP 105 Cb 0.47 0.15 -0.14 0.00 -1.00 0.00 0.00 29.16 28.64 1grr h TRP 105 CO -0.50 -0.20 0.32 0.00 -3.56 0.00 0.00 178.44 174.50 1grr h ARG 106 N -0.24 0.26 -0.38 0.49 3.08 0.66 0.24 114.38 118.49 1grr h ARG 106 Ca 0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1grr h ARG 106 Cb 0.28 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1grr h ARG 106 CO -0.10 0.17 0.07 0.66 -1.07 0.00 0.00 179.97 179.71 1grr h SER 107 N 0.27 0.52 0.12 7.04 4.64 -0.98 -1.60 113.55 123.56 1grr h SER 107 Ca 0.58 -0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 61.56 1grr h SER 107 Cb 1.18 -0.13 0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1grr h SER 107 CO -0.62 0.54 -1.09 -0.26 -0.87 0.00 0.00 176.83 174.53 1grr h PHE 108 N 0.55 0.86 -0.81 4.77 0.05 -0.61 -3.31 116.94 118.44 1grr h PHE 108 Ca 0.13 -0.56 0.03 0.00 3.82 0.00 0.00 57.97 61.39 1grr h PHE 108 Cb 0.24 -0.06 -0.04 0.00 2.00 0.00 0.00 35.95 38.08 1grr h PHE 108 CO 0.01 1.41 0.53 0.28 -0.18 0.00 0.00 178.31 180.36 1grr h VAL 109 N 0.07 1.16 0.00 -0.55 2.07 -0.55 -3.48 116.25 114.98 1grr h VAL 109 Ca -0.17 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1grr h VAL 109 Cb 1.80 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1grr h VAL 109 CO 0.21 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.60 1grr n GLY 110 N -1.41 2.04 1.72 2.17 0.00 -0.63 -2.11 105.19 106.98 1grr n GLY 110 Ca 0.10 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.73 1grr n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1grr n ASP 111 N 4.55 5.16 -4.73 1.61 5.68 -1.26 -4.96 116.55 122.61 1grr n ASP 111 Ca 0.00 -2.76 -0.42 0.00 -0.50 0.00 0.00 54.79 51.12 1grr n ASP 111 Cb 0.00 -0.65 -0.03 0.00 -1.14 0.00 0.00 41.12 39.30 1grr n ASP 111 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1grr s LEU 112 N -2.35 4.40 -0.20 -2.12 2.96 -0.89 -4.92 118.68 115.54 1grr s LEU 112 Ca 0.50 2.31 -0.28 0.00 -0.22 0.00 0.00 54.13 56.43 1grr s LEU 112 Cb 0.37 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 1grr s LEU 112 CO 0.16 -0.55 2.03 -0.62 -1.32 0.00 0.00 176.35 176.05 1grr s ASP 113 N 0.68 5.79 -0.03 3.68 -1.08 -1.26 -4.95 116.67 119.50 1grr s ASP 113 Ca 0.59 1.85 0.05 0.00 -0.52 0.00 0.00 52.55 54.53 1grr s ASP 113 Cb -0.35 -2.52 -0.01 0.00 -1.46 0.00 0.00 42.92 38.58 1grr s ASP 113 CO 0.34 -1.70 -0.19 -0.69 0.52 0.00 0.00 175.17 173.45 1grr s VAL 114 N 7.11 1.52 -0.41 1.11 1.01 -1.26 -1.76 120.40 127.72 1grr s VAL 114 Ca 0.91 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1grr s VAL 114 Cb -0.31 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1grr s VAL 114 CO 0.35 0.43 0.26 -0.22 0.00 0.00 0.00 175.10 175.93 1grr s LEU 115 N -0.17 5.03 -0.31 3.92 0.20 0.37 -4.99 118.68 122.74 1grr s LEU 115 Ca 0.00 -1.19 -0.26 0.00 0.69 0.00 0.00 54.13 53.37 1grr s LEU 115 Cb -0.10 -2.05 0.01 0.00 -0.43 0.00 0.00 46.19 43.62 1grr s LEU 115 CO 0.01 -0.48 0.92 0.26 -0.29 0.00 0.00 176.35 176.77 1grr s TRP 116 N 1.54 3.19 -0.07 5.38 0.52 -1.26 -1.62 118.94 126.62 1grr s TRP 116 Ca 0.03 1.00 0.03 0.00 0.02 0.00 0.00 56.10 57.19 1grr s TRP 116 Cb -0.21 -3.41 -0.02 0.00 -1.15 0.00 0.00 33.47 28.68 1grr s TRP 116 CO 0.06 -0.64 -0.17 0.08 0.02 0.00 0.00 176.95 176.29 1grr s VAL 117 N 3.25 2.74 -0.15 4.03 1.01 0.00 0.89 120.40 132.17 1grr s VAL 117 Ca 0.38 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1grr s VAL 117 Cb -0.13 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1grr s VAL 117 CO 0.13 0.57 -0.06 -0.83 0.00 0.00 0.00 175.10 174.91 1grr s GLY 118 N -0.27 1.67 -0.37 4.51 0.00 0.18 -1.31 107.32 111.72 1grr s GLY 118 Ca 0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 1grr s GLY 118 CO 0.03 -0.07 0.14 0.14 0.00 0.00 0.00 173.10 173.34 1grr s VAL 119 N 0.42 3.24 0.31 1.40 1.01 0.49 -1.09 120.40 126.18 1grr s VAL 119 Ca -0.05 -1.81 0.06 0.00 0.00 0.00 0.00 61.98 60.17 1grr s VAL 119 Cb -0.15 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1grr s VAL 119 CO 0.03 -0.50 0.44 -0.13 0.00 0.00 0.00 175.10 174.95 1grr s ARG 120 N 1.19 3.24 -0.29 2.72 0.52 0.36 -4.29 118.95 122.40 1grr s ARG 120 Ca 0.04 -0.88 -0.22 0.00 -0.52 0.00 0.00 55.73 54.15 1grr s ARG 120 Cb -0.22 -2.83 0.16 0.00 0.52 0.00 0.00 34.95 32.58 1grr s ARG 120 CO -0.03 0.17 1.16 0.00 0.02 0.00 0.00 175.30 176.62 1grr n ASP 122 N 2.47 2.79 -0.24 0.00 -0.08 -1.26 -4.77 116.55 115.45 1grr n ASP 122 Ca -0.14 1.04 0.02 0.00 -1.51 0.00 0.00 54.79 54.21 1grr n ASP 122 Cb 0.57 -1.28 0.10 0.00 2.34 0.00 0.00 41.12 42.85 1grr n ASP 122 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1grr h GLY 123 N 7.34 0.62 0.99 0.27 0.00 -1.92 0.31 103.07 110.68 1grr h GLY 123 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1grr h GLY 123 CO 0.92 -0.27 0.01 0.00 0.00 0.00 0.00 176.54 177.20 1grr h ALA 124 N 1.68 0.02 -0.33 3.60 0.00 -1.96 0.27 119.26 122.55 1grr h ALA 124 Ca 0.36 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1grr h ALA 124 Cb 0.58 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1grr h ALA 124 CO -0.68 -0.47 0.07 0.28 0.00 0.00 0.00 179.25 178.45 1grr h VAL 125 N 0.02 0.85 -0.03 0.00 2.07 -1.59 0.11 116.25 117.68 1grr h VAL 125 Ca 0.01 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1grr h VAL 125 Cb 0.01 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1grr h VAL 125 CO -0.00 0.03 -0.16 0.00 0.02 0.00 0.00 177.57 177.47 1grr h ALA 126 N 1.24 -0.16 -0.70 1.67 0.00 -0.05 0.10 119.26 121.37 1grr h ALA 126 Ca 0.15 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.20 1grr h ALA 126 Cb 0.17 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 1grr h ALA 126 CO -0.20 -0.64 0.27 1.49 0.00 0.00 0.00 179.25 180.17 1grr h GLU 127 N -0.24 0.42 -0.44 0.00 4.81 0.15 0.63 114.58 119.91 1grr h GLU 127 Ca 0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1grr h GLU 127 Cb 0.33 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1grr h GLU 127 CO -0.17 0.28 0.28 0.78 -0.73 0.00 0.00 179.01 179.44 1grr h GLY 128 N 0.43 0.63 1.76 1.92 0.00 0.17 -1.74 103.07 106.23 1grr h GLY 128 Ca 0.37 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 1grr h GLY 128 CO -0.37 0.24 -0.13 3.21 0.00 0.00 0.00 176.54 179.50 1grr h ARG 129 N 0.59 0.30 -0.64 4.80 3.08 0.13 -1.75 114.38 120.88 1grr h ARG 129 Ca 0.16 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.21 1grr h ARG 129 Cb -0.03 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1grr h ARG 129 CO -0.03 0.43 0.42 1.49 -1.07 0.00 0.00 179.97 181.22 1grr h GLU 130 N 0.28 0.56 0.05 0.04 4.81 0.11 -1.22 114.58 119.21 1grr h GLU 130 Ca 0.06 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1grr h GLU 130 Cb 0.40 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1grr h GLU 130 CO 0.02 0.37 -0.02 1.15 -0.73 0.00 0.00 179.01 179.80 1grr h THR 131 N 0.58 1.32 -0.36 0.32 2.02 -0.94 -3.00 112.91 112.85 1grr h THR 131 Ca 0.28 -1.39 0.10 0.00 0.77 0.00 0.00 66.41 66.17 1grr h THR 131 Cb 0.37 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1grr h THR 131 CO -0.09 0.34 0.31 0.00 0.37 0.00 0.00 175.52 176.45 1grr h ALA 132 N 0.16 2.16 0.23 6.16 0.00 -1.09 -2.60 119.26 124.28 1grr h ALA 132 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1grr h ALA 132 Cb 0.61 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1grr h ALA 132 CO 0.01 -0.50 -0.11 -0.09 0.00 0.00 0.00 179.25 178.56 1grr h ARG 133 N 0.00 -0.30 0.00 0.00 2.43 -1.24 -3.47 114.38 111.79 1grr h ARG 133 Ca 0.17 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1grr h ARG 133 Cb 0.79 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1grr h ARG 133 CO -0.00 0.07 0.00 0.41 -1.51 0.00 0.00 179.97 178.94 1grr n GLY 134 N 0.39 2.71 0.21 2.80 0.00 -0.98 -4.89 105.19 105.42 1grr n GLY 134 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1grr n GLY 134 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1grr h ASP 135 N 0.00 0.76 -2.03 1.61 3.45 -1.89 -3.47 116.42 114.85 1grr h ASP 135 Ca 0.00 -0.53 -0.49 0.00 0.43 0.00 0.00 57.03 56.44 1grr h ASP 135 Cb 0.00 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.51 1grr h ASP 135 CO 0.00 1.14 -0.48 -0.13 -1.57 0.00 0.00 179.24 178.21 1grr s ARG 136 N -4.14 2.89 -0.42 3.56 3.00 -1.26 -5.07 118.95 117.51 1grr s ARG 136 Ca -0.12 -1.13 -0.29 0.00 0.00 0.00 0.00 55.73 54.19 1grr s ARG 136 Cb 0.08 -2.56 0.01 0.00 0.00 0.00 0.00 34.95 32.48 1grr s ARG 136 CO 0.84 0.26 1.42 0.14 0.00 0.00 0.00 175.30 177.96 1grr s VAL 137 N -2.20 3.89 -0.37 3.52 -7.23 -1.26 -4.91 120.40 111.83 1grr s VAL 137 Ca 0.37 0.90 -0.35 0.00 -1.81 0.00 0.00 61.98 61.09 1grr s VAL 137 Cb -0.07 -4.20 -0.15 0.00 0.56 0.00 0.00 36.38 32.52 1grr s VAL 137 CO 0.26 -0.77 1.21 0.00 -0.31 0.00 0.00 175.10 175.49 1grr n ALA 138 N 8.91 -0.96 0.00 1.32 0.00 -1.26 -2.91 120.51 125.61 1grr n ALA 138 Ca 0.17 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1grr n ALA 138 Cb 0.48 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1grr n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1grr n GLY 139 N 3.09 4.20 0.21 0.00 0.00 -1.26 -3.90 105.19 107.53 1grr n GLY 139 Ca 0.24 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 1grr n GLY 139 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1grr h MET 140 N 0.00 0.23 0.01 1.61 2.07 -1.45 -2.44 114.93 114.96 1grr h MET 140 Ca 0.00 -0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.62 1grr h MET 140 Cb 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.66 1grr h MET 140 CO 0.00 0.15 -0.15 0.00 1.07 0.00 0.00 176.91 177.99 1grr h ALA 141 N 1.43 -0.64 -0.97 6.32 0.00 -1.87 -1.20 119.26 122.34 1grr h ALA 141 Ca 0.28 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.37 1grr h ALA 141 Cb 0.39 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1grr h ALA 141 CO -0.36 -0.68 0.62 0.00 0.00 0.00 0.00 179.25 178.82 1grr h ALA 142 N -1.22 2.01 -0.24 0.00 0.00 -1.74 0.03 119.26 118.10 1grr h ALA 142 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1grr h ALA 142 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1grr h ALA 142 CO -0.09 -0.35 -0.29 0.87 0.00 0.00 0.00 179.25 179.39 1grr h LYS 143 N 0.55 0.48 0.00 0.00 1.57 -0.91 -3.31 116.57 114.95 1grr h LYS 143 Ca 0.53 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1grr h LYS 143 Cb 1.12 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1grr h LYS 143 CO -0.27 0.72 -1.86 1.04 -0.57 0.00 0.00 179.45 178.51 1grr n GLN 144 N -4.10 0.61 -0.25 3.15 6.02 -0.51 -4.59 117.38 117.71 1grr n GLN 144 Ca -0.01 -0.17 0.24 0.00 -0.01 0.00 0.00 57.00 57.05 1grr n GLN 144 Cb 0.43 -1.48 0.43 0.00 1.02 0.00 0.00 30.24 30.63 1grr n GLN 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1grr n ALA 145 N -2.15 0.78 0.01 -1.58 0.00 -0.09 -3.34 120.51 114.13 1grr n ALA 145 Ca -0.03 0.67 -0.02 0.00 0.00 0.00 0.00 53.44 54.06 1grr n ALA 145 Cb 0.51 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 1grr n ALA 145 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1grr n TYR 146 N -4.41 0.00 -0.34 0.00 4.02 -1.26 -4.70 117.16 110.47 1grr n TYR 146 Ca 0.27 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.30 1grr n TYR 146 Cb 0.95 -0.08 0.28 0.00 -0.02 0.00 0.00 39.34 40.47 1grr n TYR 146 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1grr n VAL 147 N -3.36 -0.41 -0.30 -0.72 0.24 -1.23 -0.73 118.33 111.82 1grr n VAL 147 Ca -0.04 2.14 0.18 0.00 -2.04 0.00 0.00 64.34 64.59 1grr n VAL 147 Cb 0.30 -3.12 0.45 0.00 -1.47 0.00 0.00 33.84 30.00 1grr n VAL 147 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1grr h VAL 148 N 0.00 0.65 0.00 3.34 -1.51 -1.72 -0.62 116.25 116.39 1grr h VAL 148 Ca 0.58 -0.18 -0.08 0.00 -1.23 0.00 0.00 66.70 65.79 1grr h VAL 148 Cb 1.18 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 1grr h VAL 148 CO -0.92 0.09 -0.62 0.45 -1.23 0.00 0.00 177.57 175.34 1grr h HIS 149 N 0.52 0.00 -0.37 5.19 3.86 -1.21 -3.37 115.15 119.77 1grr h HIS 149 Ca 0.54 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 59.22 1grr h HIS 149 Cb 1.17 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.58 1grr h HIS 149 CO -0.00 0.35 1.68 -1.91 0.86 0.00 0.00 177.93 178.92 1grr n GLU 150 N -3.08 0.26 -0.15 2.45 2.13 -0.24 -0.23 120.64 121.78 1grr n GLU 150 Ca 0.00 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1grr n GLU 150 Cb 0.69 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1grr n GLU 150 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1grr n GLY 151 N 6.49 0.86 3.74 8.31 0.00 -1.26 -2.78 105.19 120.55 1grr n GLY 151 Ca 0.58 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 1grr n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1grr s VAL 152 N -2.50 4.72 -0.23 1.61 1.01 0.67 -4.55 120.40 121.14 1grr s VAL 152 Ca 0.00 1.65 -0.10 0.00 0.00 0.00 0.00 61.98 63.53 1grr s VAL 152 Cb 0.00 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1grr s VAL 152 CO 0.00 0.36 0.15 -1.61 0.00 0.00 0.00 175.10 174.00 1grr s GLU 153 N -0.07 4.07 0.43 2.72 2.02 -1.26 -5.04 118.70 121.57 1grr s GLU 153 Ca 0.39 -0.27 0.07 0.00 0.02 0.00 0.00 54.97 55.18 1grr s GLU 153 Cb -0.21 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 1grr s GLU 153 CO 0.23 0.10 0.27 0.71 0.02 0.00 0.00 175.26 176.59 1grr s TYR 154 N 0.93 2.51 -0.03 1.61 1.51 -1.26 -4.94 117.35 117.69 1grr s TYR 154 Ca 0.07 -0.59 0.15 0.00 -1.01 0.00 0.00 57.07 55.69 1grr s TYR 154 Cb -0.13 -2.02 -0.24 0.00 -0.11 0.00 0.00 41.96 39.46 1grr s TYR 154 CO 0.03 0.01 0.32 -0.25 -1.11 0.00 0.00 175.55 174.56 1grr n ASP 155 N -1.40 1.45 -3.70 2.29 8.00 0.26 -4.96 116.55 118.49 1grr n ASP 155 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1grr n ASP 155 Cb 0.64 1.66 -0.10 0.00 -0.02 0.00 0.00 41.12 43.30 1grr n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1grr s VAL 156 N -3.04 -0.01 0.06 2.53 1.01 -0.91 -5.00 120.40 115.04 1grr s VAL 156 Ca -0.06 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.05 1grr s VAL 156 Cb 0.10 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1grr s VAL 156 CO 0.64 0.01 -0.26 -1.61 0.00 0.00 0.00 175.10 173.89 1grr s GLU 157 N 0.76 1.67 -0.03 2.72 2.02 -1.26 -0.64 118.70 123.94 1grr s GLU 157 Ca -0.04 -1.15 -0.02 0.00 0.02 0.00 0.00 54.97 53.78 1grr s GLU 157 Cb -0.05 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.27 1grr s GLU 157 CO -0.06 0.49 0.07 0.14 0.02 0.00 0.00 175.26 175.92 1grr s VAL 158 N -0.86 -0.00 -0.29 2.63 -7.23 -0.25 -4.94 120.40 109.45 1grr s VAL 158 Ca 0.12 0.02 -0.01 0.00 -1.81 0.00 0.00 61.98 60.30 1grr s VAL 158 Cb -0.10 -0.11 0.05 0.00 0.56 0.00 0.00 36.38 36.78 1grr s VAL 158 CO 0.03 0.01 -0.03 -0.62 -0.31 0.00 0.00 175.10 174.18 1grr s ASP 159 N 0.13 4.78 0.00 4.85 -1.08 -1.26 -0.49 116.67 123.60 1grr s ASP 159 Ca -0.01 -1.32 0.05 0.00 -0.52 0.00 0.00 52.55 50.76 1grr s ASP 159 Cb -0.01 -1.67 0.32 0.00 -1.46 0.00 0.00 42.92 40.10 1grr s ASP 159 CO -0.00 -0.25 1.15 0.35 0.52 0.00 0.00 175.17 176.95 1grr n THR 160 N 4.57 0.00 -0.20 1.71 -2.24 -0.44 -3.50 114.28 114.19 1grr n THR 160 Ca -0.13 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.57 1grr n THR 160 Cb 0.43 -0.12 0.02 0.00 -2.10 0.00 0.00 70.33 68.56 1grr n THR 160 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1grr h THR 161 N 0.00 1.22 0.00 4.28 2.02 -1.91 -3.31 112.91 115.21 1grr h THR 161 Ca 0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1grr h THR 161 Cb 0.00 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1grr h THR 161 CO 0.00 0.25 0.00 1.41 0.37 0.00 0.00 175.52 177.55 1grr n HIS 162 N -4.52 0.00 -5.22 3.16 8.25 -1.25 -5.01 115.22 110.62 1grr n HIS 162 Ca 0.03 -0.32 -0.32 0.00 -0.26 0.00 0.00 57.72 56.85 1grr n HIS 162 Cb 0.14 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.06 1grr n HIS 162 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1grr s LYS 163 N -0.64 2.73 0.88 -0.41 -0.14 -1.23 -5.12 119.74 115.81 1grr s LYS 163 Ca 0.00 -0.88 -0.11 0.00 -1.36 0.00 0.00 55.97 53.62 1grr s LYS 163 Cb 0.00 -2.23 0.12 0.00 -1.68 0.00 0.00 37.83 34.04 1grr s LYS 163 CO 0.00 0.32 1.10 -1.21 -0.76 0.00 0.00 175.35 174.80 1grr s GLU 164 N -0.00 1.37 0.04 1.68 0.41 -1.26 -4.49 118.70 116.45 1grr s GLU 164 Ca -0.08 1.14 -0.27 0.00 -0.41 0.00 0.00 54.97 55.35 1grr s GLU 164 Cb -0.15 -1.80 -0.17 0.00 -1.78 0.00 0.00 34.13 30.23 1grr s GLU 164 CO 0.05 -2.25 1.45 0.77 -0.49 0.00 0.00 175.26 174.79 1grr h SER 165 N -1.57 -0.38 -1.04 -0.19 0.02 -1.95 -1.11 113.55 107.33 1grr h SER 165 Ca -0.47 -0.10 0.27 0.00 -0.84 0.00 0.00 61.79 60.65 1grr h SER 165 Cb 1.26 0.10 -0.10 0.00 0.14 0.00 0.00 62.40 63.80 1grr h SER 165 CO 0.50 -0.13 0.66 -0.29 -1.14 0.00 0.00 176.83 176.43 1grr h ILE 166 N -0.64 0.51 0.50 3.27 6.09 -1.93 0.40 117.51 125.73 1grr h ILE 166 Ca -0.05 -0.14 -0.02 0.00 -1.37 0.00 0.00 64.86 63.28 1grr h ILE 166 Cb 0.46 0.06 0.00 0.00 0.47 0.00 0.00 36.82 37.81 1grr h ILE 166 CO 0.08 0.08 -0.24 -0.33 -3.07 0.00 0.00 178.15 174.66 1grr h GLU 167 N 0.42 -0.65 -0.99 2.19 5.08 -1.83 -1.50 114.58 117.30 1grr h GLU 167 Ca 0.61 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 59.22 1grr h GLU 167 Cb 1.49 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.79 1grr h GLU 167 CO -0.33 -0.36 0.62 0.00 -1.00 0.00 0.00 179.01 177.94 1grr h ALA 169 N 1.63 -0.11 -0.76 0.00 0.00 -0.14 -1.34 119.26 118.55 1grr h ALA 169 Ca 0.55 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.56 1grr h ALA 169 Cb 1.03 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1grr h ALA 169 CO -0.32 -0.59 0.42 -1.49 0.00 0.00 0.00 179.25 177.27 1grr h TRP 170 N -0.17 0.75 -0.81 0.00 6.55 0.34 0.42 115.95 123.04 1grr h TRP 170 Ca 0.04 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.88 1grr h TRP 170 Cb 0.21 -0.22 -0.04 0.00 -0.86 0.00 0.00 29.16 28.25 1grr h TRP 170 CO -0.16 0.30 0.40 0.00 -1.05 0.00 0.00 178.44 177.93 1grr h ALA 171 N 1.43 1.18 0.01 1.49 0.00 -0.85 -2.20 119.26 120.31 1grr h ALA 171 Ca 0.37 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1grr h ALA 171 Cb 0.35 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1grr h ALA 171 CO -0.25 0.63 -0.00 0.82 0.00 0.00 0.00 179.25 180.45 1grr h ILE 172 N 1.15 1.46 -0.97 0.00 2.04 -0.08 -3.19 117.51 117.91 1grr h ILE 172 Ca 0.28 -1.40 0.22 0.00 1.00 0.00 0.00 64.86 64.96 1grr h ILE 172 Cb 0.10 2.41 -0.09 0.00 -0.74 0.00 0.00 36.82 38.50 1grr h ILE 172 CO -0.04 0.36 0.62 0.00 0.00 0.00 0.00 178.15 179.10 1grr h ALA 173 N 0.38 2.07 0.00 1.87 0.00 -0.10 0.12 119.26 123.59 1grr h ALA 173 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1grr h ALA 173 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1grr h ALA 173 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.84 1grr n ALA 174 N -2.45 1.09 0.72 0.00 0.00 -0.84 -1.22 120.51 117.81 1grr n ALA 174 Ca 0.22 0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.93 1grr n ALA 174 Cb 0.72 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.91 1grr n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1grr n HIS 175 N -2.24 0.00 -2.78 0.00 8.25 0.41 -4.92 115.22 113.93 1grr n HIS 175 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 1grr n HIS 175 Cb 0.05 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1grr n HIS 175 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1grr s VAL 176 N -1.56 4.61 -0.08 1.59 1.01 -0.36 -4.98 120.40 120.63 1grr s VAL 176 Ca 0.18 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.26 1grr s VAL 176 Cb 0.14 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1grr s VAL 176 CO 0.26 -0.46 0.85 -0.69 0.00 0.00 0.00 175.10 175.07 1grr s VAL 177 N 3.42 4.92 -2.00 2.92 1.01 -1.26 -4.93 120.40 124.48 1grr s VAL 177 Ca 0.39 1.74 0.25 0.00 0.00 0.00 0.00 61.98 64.36 1grr s VAL 177 Cb -0.12 -4.18 0.70 0.00 0.00 0.00 0.00 36.38 32.78 1grr s VAL 177 CO 0.16 0.14 1.84 -0.81 0.00 0.00 0.00 175.10 176.43