#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grr n SER 2 N 0.00 4.02 -0.28 7.83 3.41 -1.26 -4.69 113.62 122.65 2grr n SER 2 Ca 0.00 -2.49 0.15 0.00 -0.26 0.00 0.00 58.87 56.27 2grr n SER 2 Cb 0.00 -0.47 0.42 0.00 -0.26 0.00 0.00 64.21 63.90 2grr n SER 2 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2grr h GLY 3 N 2.86 1.20 0.88 5.00 0.00 -1.98 0.14 103.07 111.16 2grr h GLY 3 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 2grr h GLY 3 CO 0.17 0.02 -0.31 -2.22 0.00 0.00 0.00 176.54 174.20 2grr h ILE 4 N 0.60 1.34 -0.52 2.60 2.04 -1.89 -1.55 117.51 120.11 2grr h ILE 4 Ca 0.48 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.82 2grr h ILE 4 Cb 0.93 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 2grr h ILE 4 CO -0.23 0.47 0.33 0.00 0.00 0.00 0.00 178.15 178.72 2grr h ALA 5 N 0.60 0.67 -0.57 1.87 0.00 -1.30 -2.30 119.26 118.23 2grr h ALA 5 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2grr h ALA 5 Cb 0.90 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2grr h ALA 5 CO 0.07 0.07 0.19 -0.07 0.00 0.00 0.00 179.25 179.51 2grr h LEU 6 N 0.67 0.77 -0.17 0.00 3.38 -0.93 0.21 115.31 119.25 2grr h LEU 6 Ca 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2grr h LEU 6 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2grr h LEU 6 CO -0.06 0.72 0.08 0.28 0.09 0.00 0.00 178.44 179.55 2grr h SER 7 N 0.82 0.22 -0.32 -0.43 0.02 -0.88 -1.17 113.55 111.82 2grr h SER 7 Ca 0.19 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2grr h SER 7 Cb 0.22 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2grr h SER 7 CO -0.01 0.27 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.83 2grr h ARG 8 N 0.15 0.58 -0.35 3.45 2.43 -1.14 -2.97 114.38 116.54 2grr h ARG 8 Ca 0.06 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 2grr h ARG 8 Cb 0.11 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2grr h ARG 8 CO -0.01 0.73 0.14 -0.07 -1.51 0.00 0.00 179.97 179.26 2grr h LEU 9 N 0.37 0.43 -0.81 3.80 3.38 -0.84 0.85 115.31 122.49 2grr h LEU 9 Ca 0.09 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2grr h LEU 9 Cb 0.49 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2grr h LEU 9 CO 0.02 0.39 0.17 0.00 0.09 0.00 0.00 178.44 179.11 2grr h ALA 10 N 1.68 1.03 -0.09 1.53 0.00 -1.14 -0.58 119.26 121.69 2grr h ALA 10 Ca 0.12 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2grr h ALA 10 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2grr h ALA 10 CO -0.01 0.64 -0.67 1.96 0.00 0.00 0.00 179.25 181.16 2grr h GLN 11 N 1.01 0.37 -0.22 0.00 1.08 -1.06 -2.39 115.11 113.90 2grr h GLN 11 Ca 0.21 -0.28 -0.10 0.00 -1.45 0.00 0.00 58.65 57.03 2grr h GLN 11 Cb 0.35 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2grr h GLN 11 CO 0.00 0.91 -0.31 0.93 -0.95 0.00 0.00 178.83 179.41 2grr h GLU 12 N 0.26 0.44 -0.26 1.46 5.08 -0.53 -0.01 114.58 121.01 2grr h GLU 12 Ca -0.02 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2grr h GLU 12 Cb 1.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2grr h GLU 12 CO 0.11 0.70 0.02 -0.09 -1.00 0.00 0.00 179.01 178.75 2grr h ARG 13 N 0.38 0.45 -0.71 2.33 2.43 -0.99 -0.28 114.38 118.00 2grr h ARG 13 Ca 0.05 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2grr h ARG 13 Cb 0.73 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 2grr h ARG 13 CO 0.06 0.60 0.36 0.87 -1.51 0.00 0.00 179.97 180.35 2grr h LYS 14 N 0.25 1.01 -0.45 0.20 1.57 -1.14 -0.12 116.57 117.88 2grr h LYS 14 Ca 0.08 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2grr h LYS 14 Cb 0.39 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2grr h LYS 14 CO 0.01 0.78 0.14 0.00 -0.57 0.00 0.00 179.45 179.81 2grr h ALA 15 N 1.18 0.60 -0.30 3.86 0.00 -0.87 -1.01 119.26 122.72 2grr h ALA 15 Ca 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2grr h ALA 15 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2grr h ALA 15 CO -0.04 0.25 0.14 2.35 0.00 0.00 0.00 179.25 181.95 2grr h TRP 16 N 0.60 0.43 -0.16 0.00 2.91 -0.75 -1.70 115.95 117.28 2grr h TRP 16 Ca 0.15 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.12 2grr h TRP 16 Cb 0.27 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 2grr h TRP 16 CO 0.01 0.39 -0.00 0.00 -1.03 0.00 0.00 178.44 177.82 2grr h ARG 17 N 0.35 0.23 -0.21 2.65 3.08 -0.87 -2.59 114.38 117.01 2grr h ARG 17 Ca 0.10 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 2grr h ARG 17 Cb 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2grr h ARG 17 CO -0.01 0.26 -0.41 -0.22 -1.07 0.00 0.00 179.97 178.52 2grr h LYS 18 N 0.23 0.66 -1.92 0.04 3.64 -0.77 -3.46 116.57 114.98 2grr h LYS 18 Ca 0.06 -0.42 0.04 0.00 -1.27 0.00 0.00 60.65 59.05 2grr h LYS 18 Cb 0.16 0.05 -0.22 0.00 -0.41 0.00 0.00 32.23 31.81 2grr h LYS 18 CO 0.00 1.04 0.07 0.34 -2.27 0.00 0.00 179.45 178.63 2grr s ASP 19 N -6.65 -0.88 0.14 4.20 2.15 -0.68 -5.11 116.67 109.84 2grr s ASP 19 Ca -0.12 1.41 -0.18 0.00 0.43 0.00 0.00 52.55 54.09 2grr s ASP 19 Cb 0.08 1.39 0.04 0.00 -0.30 0.00 0.00 42.92 44.13 2grr s ASP 19 CO 0.84 -0.22 0.46 -1.38 -0.17 0.00 0.00 175.17 174.69 2grr s HIS 20 N 1.63 -0.30 0.34 -5.34 -3.43 -1.23 -4.36 115.29 102.59 2grr s HIS 20 Ca -0.10 0.01 -0.29 0.00 -0.80 0.00 0.00 55.06 53.88 2grr s HIS 20 Cb -0.05 0.34 -0.11 0.00 -1.43 0.00 0.00 32.58 31.34 2grr s HIS 20 CO -0.19 -0.75 1.50 -1.25 -2.00 0.00 0.00 174.74 172.06 2grr s PRO 21 N -3.79 4.15 0.35 -0.38 0.04 -1.26 -4.92 135.00 129.18 2grr s PRO 21 Ca 0.02 2.52 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 2grr s PRO 21 Cb 0.01 -3.01 -0.11 0.00 0.04 0.00 0.00 34.50 31.43 2grr s PRO 21 CO -0.12 -0.53 1.50 0.34 0.04 0.00 0.00 177.00 178.23 2grr n PHE 22 N 1.19 2.87 0.00 0.56 7.35 -1.26 -2.43 117.46 125.74 2grr n PHE 22 Ca 0.04 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 2grr n PHE 22 Cb 0.39 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.68 2grr n PHE 22 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2grr n GLY 23 N 1.04 3.25 3.84 7.13 0.00 -1.26 -4.96 105.19 114.23 2grr n GLY 23 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2grr n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2grr s PHE 24 N -2.21 3.37 -0.02 1.61 0.40 -1.02 -4.36 117.98 115.76 2grr s PHE 24 Ca 0.00 1.31 0.03 0.00 -0.60 0.00 0.00 56.93 57.67 2grr s PHE 24 Cb 0.00 -2.61 -0.00 0.00 0.51 0.00 0.00 43.02 40.92 2grr s PHE 24 CO 0.00 0.06 -0.11 0.08 0.70 0.00 0.00 175.22 175.95 2grr s VAL 25 N -2.00 0.91 -0.29 -0.44 1.01 -0.63 -4.94 120.40 114.01 2grr s VAL 25 Ca 0.55 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2grr s VAL 25 Cb -0.10 -0.78 0.18 0.00 0.00 0.00 0.00 36.38 35.68 2grr s VAL 25 CO 0.17 0.27 0.50 0.00 0.00 0.00 0.00 175.10 176.03 2grr s ALA 26 N -0.06 -1.78 -0.02 5.51 0.00 -1.26 -0.78 121.76 123.38 2grr s ALA 26 Ca 0.01 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.75 2grr s ALA 26 Cb -0.07 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2grr s ALA 26 CO 0.00 -1.70 -0.01 0.14 0.00 0.00 0.00 175.76 174.18 2grr s VAL 27 N 2.69 0.20 0.47 0.00 -7.23 -0.57 -4.96 120.40 111.00 2grr s VAL 27 Ca 0.11 -0.02 -0.24 0.00 -1.81 0.00 0.00 61.98 60.02 2grr s VAL 27 Cb -0.12 -0.24 -0.07 0.00 0.56 0.00 0.00 36.38 36.51 2grr s VAL 27 CO -0.26 0.10 1.39 -2.84 -0.31 0.00 0.00 175.10 173.18 2grr s PRO 28 N 0.46 3.57 1.03 4.82 0.02 -1.26 -0.75 135.00 142.88 2grr s PRO 28 Ca -0.04 2.33 -0.17 0.00 0.02 0.00 0.00 61.00 63.13 2grr s PRO 28 Cb -0.07 -2.56 0.23 0.00 0.02 0.00 0.00 34.50 32.12 2grr s PRO 28 CO -0.01 -0.88 1.29 0.95 -0.33 0.00 0.00 177.00 178.03 2grr s THR 29 N -1.24 1.91 0.09 0.99 -4.23 0.12 -4.79 115.64 108.49 2grr s THR 29 Ca 0.63 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.21 2grr s THR 29 Cb -0.42 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 2grr s THR 29 CO 0.53 0.00 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.98 2grr s LYS 30 N -5.83 2.21 0.61 3.99 -0.14 -1.26 -0.37 119.74 118.94 2grr s LYS 30 Ca 0.74 -0.98 -0.06 0.00 -1.36 0.00 0.00 55.97 54.31 2grr s LYS 30 Cb -0.04 -2.34 0.01 0.00 -1.68 0.00 0.00 37.83 33.78 2grr s LYS 30 CO 0.54 0.52 0.93 -0.80 -0.76 0.00 0.00 175.35 175.77 2grr s ASN 31 N -2.13 5.51 0.42 2.83 0.01 0.11 -4.76 114.94 116.93 2grr s ASN 31 Ca 0.21 0.72 0.13 0.00 -0.71 0.00 0.00 52.86 53.21 2grr s ASN 31 Cb -0.11 -1.67 0.98 0.00 0.41 0.00 0.00 41.25 40.87 2grr s ASN 31 CO 0.13 -1.13 1.95 -0.65 -1.51 0.00 0.00 177.10 175.89 2grr h PRO 32 N -0.25 0.46 0.00 -0.60 0.11 -2.00 -0.73 132.00 128.99 2grr h PRO 32 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2grr h PRO 32 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2grr h PRO 32 CO 0.61 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 2grr n ASP 33 N -4.48 0.00 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.63 2grr n ASP 33 Ca 0.12 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 2grr n ASP 33 Cb 0.42 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 2grr n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2grr n GLY 34 N 0.72 2.55 3.80 6.12 0.00 -0.28 -5.06 105.19 113.03 2grr n GLY 34 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2grr n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2grr s THR 35 N -2.54 3.51 0.33 2.61 -4.23 -1.26 -4.67 115.64 109.38 2grr s THR 35 Ca 0.00 0.49 -0.27 0.00 -1.18 0.00 0.00 61.69 60.73 2grr s THR 35 Cb 0.00 -3.19 -0.09 0.00 1.34 0.00 0.00 72.50 70.56 2grr s THR 35 CO 0.00 -0.64 1.07 -0.04 -0.54 0.00 0.00 174.62 174.47 2grr s MET 36 N -5.07 4.44 -0.67 3.99 -1.94 -1.26 0.09 119.30 118.89 2grr s MET 36 Ca 0.60 1.67 -0.07 0.00 -1.71 0.00 0.00 55.69 56.18 2grr s MET 36 Cb -0.15 -2.92 0.17 0.00 2.01 0.00 0.00 34.83 33.95 2grr s MET 36 CO 0.55 0.07 0.53 1.21 -0.01 0.00 0.00 175.02 177.37 2grr s ASN 37 N -1.18 5.76 0.01 3.03 3.04 0.50 -4.71 114.94 121.40 2grr s ASN 37 Ca 0.50 -2.70 0.11 0.00 0.04 0.00 0.00 52.86 50.81 2grr s ASN 37 Cb -0.28 -1.98 0.48 0.00 -1.54 0.00 0.00 41.25 37.93 2grr s ASN 37 CO 0.35 -0.47 1.36 0.18 -3.04 0.00 0.00 177.10 175.48 2grr n LEU 38 N 3.80 0.02 -0.27 3.21 4.77 -1.26 -2.54 117.00 124.73 2grr n LEU 38 Ca 0.08 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 2grr n LEU 38 Cb 0.41 -0.51 0.42 0.00 -2.33 0.00 0.00 43.42 41.42 2grr n LEU 38 CO 0.35 -0.33 0.71 0.23 -1.33 0.00 0.00 177.39 177.01 2grr n MET 39 N -1.53 0.96 -3.57 3.23 2.81 -1.26 -4.73 117.12 113.02 2grr n MET 39 Ca 0.03 -0.54 -0.25 0.00 -1.81 0.00 0.00 57.70 55.13 2grr n MET 39 Cb 0.13 -1.49 -0.16 0.00 -0.71 0.00 0.00 33.22 30.99 2grr n MET 39 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2grr s ASN 40 N -2.42 2.30 -0.03 7.83 3.84 -1.05 -0.98 114.94 124.43 2grr s ASN 40 Ca 0.27 -0.63 0.03 0.00 0.21 0.00 0.00 52.86 52.74 2grr s ASN 40 Cb 0.20 -0.12 -0.03 0.00 -0.55 0.00 0.00 41.25 40.75 2grr s ASN 40 CO 0.49 -0.36 -0.09 0.26 -2.79 0.00 0.00 177.10 174.60 2grr s TRP 41 N 2.18 2.84 -0.25 0.43 0.52 0.03 -0.70 118.94 123.98 2grr s TRP 41 Ca 0.04 -0.06 -0.10 0.00 0.02 0.00 0.00 56.10 56.00 2grr s TRP 41 Cb -0.16 -1.64 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 2grr s TRP 41 CO -0.14 0.31 0.15 -1.21 0.02 0.00 0.00 176.95 176.08 2grr s GLU 42 N -1.07 3.94 0.35 4.98 2.02 0.07 -0.73 118.70 128.25 2grr s GLU 42 Ca 0.14 -0.33 0.05 0.00 0.02 0.00 0.00 54.97 54.85 2grr s GLU 42 Cb -0.11 -3.53 -0.07 0.00 0.10 0.00 0.00 34.13 30.53 2grr s GLU 42 CO 0.04 -0.07 0.02 0.00 0.02 0.00 0.00 175.26 175.27 2grr s ALA 44 N -3.04 -0.78 -0.15 0.00 0.00 0.04 -1.22 121.76 116.60 2grr s ALA 44 Ca 0.35 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.40 2grr s ALA 44 Cb 0.08 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2grr s ALA 44 CO 0.16 -0.19 -0.20 0.42 0.00 0.00 0.00 175.76 175.95 2grr s ILE 45 N 0.74 2.17 0.31 0.00 1.01 0.09 -1.61 121.20 123.92 2grr s ILE 45 Ca -0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 59.44 2grr s ILE 45 Cb -0.06 -1.89 -0.10 0.00 0.01 0.00 0.00 42.46 40.43 2grr s ILE 45 CO -0.05 0.54 0.88 -2.16 0.00 0.00 0.00 174.94 174.15 2grr s PRO 46 N 0.95 4.44 0.52 2.79 0.04 -1.26 -0.82 135.00 141.66 2grr s PRO 46 Ca -0.04 1.17 -0.22 0.00 0.04 0.00 0.00 61.00 61.96 2grr s PRO 46 Cb -0.15 -2.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.60 2grr s PRO 46 CO -0.04 0.27 1.24 0.20 0.04 0.00 0.00 177.00 178.70 2grr s GLY 47 N -1.72 2.80 0.22 0.56 0.00 0.00 -4.95 107.32 104.24 2grr s GLY 47 Ca 0.50 1.08 -0.30 0.00 0.00 0.00 0.00 44.72 46.00 2grr s GLY 47 CO 0.22 1.54 1.16 1.25 0.00 0.00 0.00 173.10 177.26 2grr s LYS 48 N -2.92 4.54 0.27 2.90 2.20 -1.26 -4.48 119.74 120.99 2grr s LYS 48 Ca 0.69 1.85 -0.30 0.00 -0.36 0.00 0.00 55.97 57.86 2grr s LYS 48 Cb -0.33 -3.22 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 2grr s LYS 48 CO 0.38 0.02 1.41 0.21 -0.36 0.00 0.00 175.35 177.01 2grr s LYS 49 N -0.69 4.29 0.00 4.03 2.20 -1.26 -2.58 119.74 125.72 2grr s LYS 49 Ca 0.50 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2grr s LYS 49 Cb -0.32 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2grr s LYS 49 CO 0.39 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 2grr n GLY 50 N 1.86 0.75 3.47 5.54 0.00 -1.26 -5.02 105.19 110.52 2grr n GLY 50 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2grr n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2grr s THR 51 N -2.40 1.86 -1.06 2.61 -4.23 -1.07 -5.01 115.64 106.34 2grr s THR 51 Ca 0.00 -2.16 0.03 0.00 -1.18 0.00 0.00 61.69 58.38 2grr s THR 51 Cb 0.00 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.37 2grr s THR 51 CO 0.00 -0.28 1.07 -2.65 -0.54 0.00 0.00 174.62 172.22 2grr n PRO 52 N -0.65 0.01 0.00 3.99 -0.02 -1.26 -1.31 135.00 135.76 2grr n PRO 52 Ca -0.05 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 2grr n PRO 52 Cb 0.63 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.78 2grr n PRO 52 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2grr n TRP 53 N -1.47 0.00 -1.60 6.00 7.02 -1.26 -3.88 117.44 122.24 2grr n TRP 53 Ca 0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.07 2grr n TRP 53 Cb 0.03 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 28.77 2grr n TRP 53 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2grr n GLU 54 N -1.27 1.34 0.00 -0.99 2.13 -0.42 -2.15 120.64 119.28 2grr n GLU 54 Ca 0.07 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.36 2grr n GLU 54 Cb 0.34 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2grr n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2grr n GLY 55 N 1.21 3.10 3.85 8.31 0.00 -1.26 -4.79 105.19 115.61 2grr n GLY 55 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2grr n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2grr s GLY 56 N -1.59 2.35 -0.26 -0.02 0.00 -0.91 -3.98 107.32 102.91 2grr s GLY 56 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.74 2grr s GLY 56 CO 0.00 0.22 -0.05 -2.27 0.00 0.00 0.00 173.10 171.00 2grr s LEU 57 N -2.85 3.06 -0.36 0.66 2.96 0.24 -0.82 118.68 121.57 2grr s LEU 57 Ca 0.52 -1.39 -0.14 0.00 -0.22 0.00 0.00 54.13 52.90 2grr s LEU 57 Cb -0.11 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 2grr s LEU 57 CO 0.18 -0.25 0.31 -0.36 -1.32 0.00 0.00 176.35 174.91 2grr s PHE 58 N 1.27 3.22 0.21 5.38 0.08 -0.00 -4.80 117.98 123.33 2grr s PHE 58 Ca -0.04 -0.21 -0.27 0.00 0.12 0.00 0.00 56.93 56.53 2grr s PHE 58 Cb -0.19 -2.60 -0.08 0.00 -0.57 0.00 0.00 43.02 39.57 2grr s PHE 58 CO -0.07 -0.45 0.85 0.15 -0.10 0.00 0.00 175.22 175.60 2grr s LYS 59 N 1.86 4.68 0.06 0.44 1.02 -1.26 -0.73 119.74 125.81 2grr s LYS 59 Ca 0.08 1.29 -0.11 0.00 0.02 0.00 0.00 55.97 57.26 2grr s LYS 59 Cb -0.17 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 2grr s LYS 59 CO 0.11 0.53 0.24 -0.48 -0.92 0.00 0.00 175.35 174.84 2grr s LEU 60 N -1.23 1.15 -0.08 3.17 2.34 -0.35 -1.00 118.68 122.67 2grr s LEU 60 Ca 0.39 -0.39 0.00 0.00 0.06 0.00 0.00 54.13 54.19 2grr s LEU 60 Cb -0.24 1.18 -0.03 0.00 -0.56 0.00 0.00 46.19 46.54 2grr s LEU 60 CO 0.28 -0.65 -0.07 -0.60 -1.06 0.00 0.00 176.35 174.26 2grr s ARG 61 N -3.04 2.85 -0.22 1.48 3.52 0.40 -0.13 118.95 123.81 2grr s ARG 61 Ca -0.01 -0.55 -0.03 0.00 -0.13 0.00 0.00 55.73 55.01 2grr s ARG 61 Cb 0.01 -2.62 -0.00 0.00 -1.56 0.00 0.00 34.95 30.78 2grr s ARG 61 CO -0.06 0.62 -0.07 -1.64 -0.81 0.00 0.00 175.30 173.33 2grr s MET 62 N -0.68 3.26 -0.19 5.12 -1.94 0.09 -1.17 119.30 123.79 2grr s MET 62 Ca 0.10 -0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 53.36 2grr s MET 62 Cb -0.11 -2.94 -0.01 0.00 2.01 0.00 0.00 34.83 33.77 2grr s MET 62 CO 0.02 -0.22 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.22 2grr s LEU 63 N 1.44 2.84 -0.12 -0.03 1.43 0.27 -0.79 118.68 123.72 2grr s LEU 63 Ca 0.05 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2grr s LEU 63 Cb -0.14 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2grr s LEU 63 CO -0.05 0.05 0.10 -0.36 0.23 0.00 0.00 176.35 176.32 2grr s PHE 64 N 1.05 3.47 0.51 0.29 0.40 -0.15 -0.55 117.98 123.00 2grr s PHE 64 Ca 0.00 0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 56.72 2grr s PHE 64 Cb -0.15 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 2grr s PHE 64 CO -0.01 0.64 0.80 0.15 0.70 0.00 0.00 175.22 177.51 2grr s LYS 65 N -0.92 3.27 0.60 0.44 1.02 -1.26 -4.87 119.74 118.02 2grr s LYS 65 Ca 0.14 0.02 0.31 0.00 0.02 0.00 0.00 55.97 56.47 2grr s LYS 65 Cb -0.12 -2.37 1.86 0.00 -0.52 0.00 0.00 37.83 36.68 2grr s LYS 65 CO 0.03 -0.37 2.23 -0.44 -0.92 0.00 0.00 175.35 175.89 2grr h ASP 66 N 0.13 0.00 -0.47 2.83 3.45 -1.96 -1.65 116.42 118.75 2grr h ASP 66 Ca -0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 2grr h ASP 66 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2grr h ASP 66 CO 0.61 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.38 2grr n ASP 67 N -3.73 2.56 -4.77 6.45 5.75 -1.26 -4.52 116.55 117.03 2grr n ASP 67 Ca -0.02 -2.02 -0.40 0.00 -0.01 0.00 0.00 54.79 52.34 2grr n ASP 67 Cb 0.14 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 39.91 2grr n ASP 67 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2grr s TYR 68 N -1.40 2.51 -0.51 2.11 5.04 -0.62 -0.55 117.35 123.93 2grr s TYR 68 Ca 0.31 1.24 0.05 0.00 -2.44 0.00 0.00 57.07 56.23 2grr s TYR 68 Cb 0.17 -3.95 0.37 0.00 0.35 0.00 0.00 41.96 38.90 2grr s TYR 68 CO 0.21 -2.93 1.20 -0.35 -1.34 0.00 0.00 175.55 172.34 2grr n PRO 69 N 0.04 2.48 0.14 4.97 -0.04 -1.26 -3.27 135.00 138.06 2grr n PRO 69 Ca 0.04 -1.47 -0.00 0.00 -0.04 0.00 0.00 63.50 62.02 2grr n PRO 69 Cb 0.41 -1.77 0.25 0.00 -0.04 0.00 0.00 33.50 32.34 2grr n PRO 69 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2grr h SER 70 N 1.47 0.09 -3.25 3.54 0.02 -1.23 -3.42 113.55 110.76 2grr h SER 70 Ca 0.09 -0.04 -0.64 0.00 -0.84 0.00 0.00 61.79 60.36 2grr h SER 70 Cb 1.41 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 63.78 2grr h SER 70 CO 0.32 0.55 -0.72 -0.94 -1.14 0.00 0.00 176.83 174.91 2grr s SER 71 N -6.89 4.44 0.65 3.07 1.04 -1.24 -4.95 113.70 109.81 2grr s SER 71 Ca -0.03 -0.44 -0.09 0.00 0.48 0.00 0.00 55.95 55.87 2grr s SER 71 Cb 0.13 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.41 2grr s SER 71 CO 0.75 0.14 1.01 -2.16 0.98 0.00 0.00 173.24 173.96 2grr s PRO 72 N -2.55 2.99 0.67 4.02 0.04 -1.26 -4.58 135.00 134.32 2grr s PRO 72 Ca 0.24 0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.49 2grr s PRO 72 Cb -0.10 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2grr s PRO 72 CO 0.15 -0.84 1.06 -1.25 0.04 0.00 0.00 177.00 176.16 2grr s PRO 73 N -5.19 3.21 -0.23 0.56 0.04 -1.26 -4.71 135.00 127.41 2grr s PRO 73 Ca 0.56 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 2grr s PRO 73 Cb -0.11 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2grr s PRO 73 CO 0.49 -0.84 0.19 0.21 0.04 0.00 0.00 177.00 177.10 2grr s LYS 74 N -5.21 4.09 -0.19 4.56 2.20 0.28 -4.90 119.74 120.57 2grr s LYS 74 Ca 0.57 -0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.94 2grr s LYS 74 Cb -0.12 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 2grr s LYS 74 CO 0.54 0.06 -0.04 0.00 -0.36 0.00 0.00 175.35 175.54 2grr s LYS 76 N 1.07 1.17 0.24 0.00 2.20 -0.32 -1.20 119.74 122.90 2grr s LYS 76 Ca 0.01 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 2grr s LYS 76 Cb -0.15 -1.27 -0.09 0.00 -1.51 0.00 0.00 37.83 34.81 2grr s LYS 76 CO 0.00 -0.22 1.28 -0.06 -0.36 0.00 0.00 175.35 175.99 2grr s PHE 77 N 1.55 3.26 -0.23 4.03 0.08 0.38 -0.45 117.98 126.60 2grr s PHE 77 Ca 0.00 1.33 -0.01 0.00 0.12 0.00 0.00 56.93 58.37 2grr s PHE 77 Cb -0.13 -3.57 0.07 0.00 -0.57 0.00 0.00 43.02 38.82 2grr s PHE 77 CO -0.05 -1.67 0.02 -1.21 -0.10 0.00 0.00 175.22 172.21 2grr s GLU 78 N -0.64 0.93 0.88 0.44 2.02 -0.17 -3.02 118.70 119.13 2grr s GLU 78 Ca 0.53 -0.72 -0.13 0.00 0.02 0.00 0.00 54.97 54.68 2grr s GLU 78 Cb -0.36 -2.23 0.12 0.00 0.10 0.00 0.00 34.13 31.76 2grr s GLU 78 CO 0.42 -0.70 1.17 -1.25 0.02 0.00 0.00 175.26 174.92 2grr s PRO 79 N 1.68 1.41 0.53 0.39 0.04 -1.26 -4.47 135.00 133.32 2grr s PRO 79 Ca -0.00 0.14 -0.22 0.00 0.04 0.00 0.00 61.00 60.96 2grr s PRO 79 Cb -0.18 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2grr s PRO 79 CO -0.11 -1.98 1.22 -2.30 0.04 0.00 0.00 177.00 173.87 2grr n PRO 80 N -3.59 1.51 -4.21 0.56 -0.02 -1.17 -4.96 135.00 123.12 2grr n PRO 80 Ca 0.08 0.55 -0.26 0.00 -2.02 0.00 0.00 63.50 61.86 2grr n PRO 80 Cb 0.60 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 2grr n PRO 80 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2grr s LEU 81 N -2.57 3.35 -0.49 2.45 1.43 -1.26 -5.01 118.68 116.58 2grr s LEU 81 Ca 0.70 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 53.10 2grr s LEU 81 Cb -0.44 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2grr s LEU 81 CO 0.51 0.06 1.11 0.12 0.23 0.00 0.00 176.35 178.38 2grr s PHE 82 N -1.86 2.81 -0.29 0.29 5.36 -1.26 -4.80 117.98 118.23 2grr s PHE 82 Ca 0.29 0.62 -0.24 0.00 -0.96 0.00 0.00 56.93 56.63 2grr s PHE 82 Cb -0.09 -4.37 0.14 0.00 -0.34 0.00 0.00 43.02 38.36 2grr s PHE 82 CO 0.19 -1.28 1.12 -1.58 -1.46 0.00 0.00 175.22 172.21 2grr s HIS 83 N 4.40 -0.39 0.54 10.12 2.46 -1.26 -4.96 115.29 126.19 2grr s HIS 83 Ca 0.45 0.92 0.26 0.00 0.47 0.00 0.00 55.06 57.17 2grr s HIS 83 Cb -0.08 0.38 1.42 0.00 -0.13 0.00 0.00 32.58 34.17 2grr s HIS 83 CO 0.30 -0.19 1.99 -1.35 -2.47 0.00 0.00 174.74 173.03 2grr h PRO 84 N 4.14 0.00 -0.46 2.88 0.11 -1.90 -2.58 132.00 134.19 2grr h PRO 84 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2grr h PRO 84 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2grr h PRO 84 CO 0.13 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.01 2grr n ASN 85 N -4.31 4.71 -4.19 -2.05 4.13 -1.26 0.64 115.26 112.93 2grr n ASN 85 Ca 0.09 -2.83 -0.33 0.00 1.68 0.00 0.00 54.58 53.19 2grr n ASN 85 Cb 0.61 -0.59 -0.15 0.00 -1.54 0.00 0.00 39.78 38.11 2grr n ASN 85 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2grr s VAL 86 N -2.53 2.48 0.85 2.41 1.01 -0.97 -2.00 120.40 121.65 2grr s VAL 86 Ca 0.47 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2grr s VAL 86 Cb 0.36 -2.07 0.11 0.00 0.00 0.00 0.00 36.38 34.78 2grr s VAL 86 CO 0.15 0.51 1.13 -0.31 0.00 0.00 0.00 175.10 176.58 2grr s TYR 87 N 1.23 2.00 0.58 5.22 2.02 0.09 -4.20 117.35 124.29 2grr s TYR 87 Ca 0.03 1.70 0.37 0.00 -0.37 0.00 0.00 57.07 58.80 2grr s TYR 87 Cb -0.14 -3.25 2.06 0.00 -0.40 0.00 0.00 41.96 40.24 2grr s TYR 87 CO -0.08 -2.42 2.28 -1.35 -1.57 0.00 0.00 175.55 172.41 2grr h PRO 88 N -1.48 0.00 0.00 -1.71 0.11 -1.90 0.13 132.00 127.15 2grr h PRO 88 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2grr h PRO 88 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2grr h PRO 88 CO 0.46 0.01 -0.11 0.66 -0.21 0.00 0.00 178.00 178.82 2grr h SER 89 N 0.00 0.00 0.00 -2.05 4.64 -1.96 -3.44 113.55 110.74 2grr h SER 89 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2grr h SER 89 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2grr h SER 89 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 2grr n GLY 90 N 0.31 1.98 3.72 -0.77 0.00 0.45 -4.72 105.19 106.15 2grr n GLY 90 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2grr n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2grr s THR 91 N -2.27 2.17 -0.07 2.61 2.01 -1.26 -0.47 115.64 118.36 2grr s THR 91 Ca 0.00 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 2grr s THR 91 Cb 0.00 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2grr s THR 91 CO 0.00 0.01 0.09 0.54 -0.69 0.00 0.00 174.62 174.57 2grr s VAL 92 N 1.30 4.99 -0.13 3.82 0.11 -0.34 -0.73 120.40 129.42 2grr s VAL 92 Ca 0.74 -0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.64 2grr s VAL 92 Cb -0.48 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 2grr s VAL 92 CO 0.32 0.52 0.05 0.00 -3.33 0.00 0.00 175.10 172.66 2grr s LEU 94 N -0.48 0.01 0.32 0.00 2.96 -1.26 -4.98 118.68 115.24 2grr s LEU 94 Ca 0.10 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 2grr s LEU 94 Cb -0.12 1.87 0.56 0.00 0.50 0.00 0.00 46.19 49.00 2grr s LEU 94 CO 0.02 -0.32 1.95 0.28 -1.32 0.00 0.00 176.35 176.97 2grr h SER 95 N 4.57 0.84 0.46 3.68 0.02 -1.98 -0.44 113.55 120.70 2grr h SER 95 Ca -0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2grr h SER 95 Cb 1.17 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2grr h SER 95 CO 0.26 0.58 0.00 2.30 -1.14 0.00 0.00 176.83 178.82 2grr n ILE 96 N -4.45 0.43 -0.54 3.27 -5.35 -1.26 -1.04 119.36 110.41 2grr n ILE 96 Ca 0.11 0.11 0.09 0.00 -0.27 0.00 0.00 62.75 62.78 2grr n ILE 96 Cb 0.13 -0.77 0.30 0.00 -1.74 0.00 0.00 39.64 37.56 2grr n ILE 96 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2grr n LEU 97 N -1.34 4.17 -4.11 7.28 4.77 -0.18 -3.55 117.00 124.04 2grr n LEU 97 Ca 0.09 -2.35 -0.33 0.00 -0.03 0.00 0.00 56.01 53.39 2grr n LEU 97 Cb 0.18 -0.49 -0.16 0.00 -2.33 0.00 0.00 43.42 40.62 2grr n LEU 97 CO 0.16 0.81 -0.52 -1.61 -1.33 0.00 0.00 177.39 174.90 2grr s GLU 98 N -1.65 2.89 0.30 3.23 2.02 -0.99 -4.78 118.70 119.72 2grr s GLU 98 Ca 0.44 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.66 2grr s GLU 98 Cb 0.28 -2.49 0.59 0.00 0.10 0.00 0.00 34.13 32.61 2grr s GLU 98 CO 0.22 -0.20 1.86 1.49 0.02 0.00 0.00 175.26 178.65 2grr h GLU 99 N 7.91 0.92 -0.14 1.61 4.81 -1.89 0.57 114.58 128.38 2grr h GLU 99 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2grr h GLU 99 Cb 1.14 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2grr h GLU 99 CO 0.62 0.61 0.00 -0.25 -0.73 0.00 0.00 179.01 179.26 2grr n ASP 100 N -4.58 0.86 0.00 1.04 10.43 -1.26 -4.62 116.55 118.42 2grr n ASP 100 Ca 0.18 -1.85 0.00 0.00 2.57 0.00 0.00 54.79 55.68 2grr n ASP 100 Cb 0.34 -0.09 0.00 0.00 1.84 0.00 0.00 41.12 43.21 2grr n ASP 100 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2grr n LYS 101 N -0.09 0.00 -0.16 -1.24 5.02 0.15 -5.02 118.16 116.81 2grr n LYS 101 Ca 0.09 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.49 2grr n LYS 101 Cb 0.16 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.36 2grr n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2grr n ASP 102 N 0.00 3.33 -4.74 4.39 8.00 -0.21 -4.96 116.55 122.36 2grr n ASP 102 Ca 0.00 -1.97 -0.41 0.00 0.71 0.00 0.00 54.79 53.12 2grr n ASP 102 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 2grr n ASP 102 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2grr s TRP 103 N -1.48 3.11 0.16 1.24 -0.11 -0.92 -4.62 118.94 116.31 2grr s TRP 103 Ca 0.36 1.12 -0.17 0.00 1.22 0.00 0.00 56.10 58.63 2grr s TRP 103 Cb 0.21 -3.73 0.03 0.00 -1.50 0.00 0.00 33.47 28.49 2grr s TRP 103 CO 0.30 -2.33 0.46 1.03 -4.62 0.00 0.00 176.95 171.79 2grr s ARG 104 N -0.33 1.23 0.54 5.86 0.52 -1.26 -4.85 118.95 120.65 2grr s ARG 104 Ca 0.58 -0.79 0.21 0.00 -0.52 0.00 0.00 55.73 55.21 2grr s ARG 104 Cb -0.40 0.50 1.41 0.00 0.52 0.00 0.00 34.95 36.98 2grr s ARG 104 CO 0.42 -0.50 2.13 -1.35 0.02 0.00 0.00 175.30 176.01 2grr h PRO 105 N 2.27 0.00 0.00 3.54 0.11 -1.95 -1.79 132.00 134.19 2grr h PRO 105 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2grr h PRO 105 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2grr h PRO 105 CO 0.42 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.21 2grr h ALA 106 N 1.93 1.00 -2.55 -0.75 0.00 -1.97 -3.43 119.26 113.49 2grr h ALA 106 Ca 0.06 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.44 2grr h ALA 106 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2grr h ALA 106 CO -0.00 0.00 0.56 0.42 0.00 0.00 0.00 179.25 180.23 2grr s ILE 107 N -3.52 3.86 0.37 0.00 1.01 -0.67 -5.04 121.20 117.21 2grr s ILE 107 Ca 0.00 1.42 0.08 0.00 0.00 0.00 0.00 60.65 62.15 2grr s ILE 107 Cb 0.08 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 2grr s ILE 107 CO 0.33 0.15 0.26 0.42 0.00 0.00 0.00 174.94 176.11 2grr s THR 108 N 0.64 2.99 0.22 2.92 -4.23 -1.26 -4.99 115.64 111.94 2grr s THR 108 Ca 0.56 -1.50 -0.06 0.00 -1.18 0.00 0.00 61.69 59.52 2grr s THR 108 Cb -0.31 -3.05 0.11 0.00 1.34 0.00 0.00 72.50 70.60 2grr s THR 108 CO 0.32 -0.11 1.73 0.40 -0.54 0.00 0.00 174.62 176.42 2grr h ILE 109 N 1.29 1.25 -0.49 2.99 2.04 -1.96 0.00 117.51 122.64 2grr h ILE 109 Ca -0.43 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.43 2grr h ILE 109 Cb 1.26 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2grr h ILE 109 CO 0.61 0.37 0.31 0.50 0.00 0.00 0.00 178.15 179.94 2grr h LYS 110 N 0.93 0.65 -0.71 2.37 3.64 -1.98 0.52 116.57 121.98 2grr h LYS 110 Ca 0.18 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2grr h LYS 110 Cb 0.43 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2grr h LYS 110 CO 0.01 0.45 0.29 0.37 -2.27 0.00 0.00 179.45 178.31 2grr h GLN 111 N 0.65 1.06 -0.01 1.90 4.15 -1.80 0.02 115.11 121.09 2grr h GLN 111 Ca 0.18 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2grr h GLN 111 Cb -0.04 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.47 2grr h GLN 111 CO -0.04 0.87 0.00 0.82 -1.93 0.00 0.00 178.83 178.56 2grr h ILE 112 N 1.02 1.16 -0.53 2.39 2.04 -0.52 0.28 117.51 123.35 2grr h ILE 112 Ca 0.24 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2grr h ILE 112 Cb 0.20 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2grr h ILE 112 CO -0.02 0.12 0.05 -0.07 0.00 0.00 0.00 178.15 178.23 2grr h LEU 113 N -0.18 0.83 -0.65 1.44 3.38 -0.79 0.42 115.31 119.76 2grr h LEU 113 Ca 0.00 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 2grr h LEU 113 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2grr h LEU 113 CO -0.00 0.86 -0.37 -0.07 0.09 0.00 0.00 178.44 178.95 2grr h LEU 114 N 0.82 0.67 -0.59 1.67 3.38 -0.90 -0.64 115.31 119.73 2grr h LEU 114 Ca 0.16 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2grr h LEU 114 Cb 0.42 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2grr h LEU 114 CO 0.01 0.97 0.16 1.23 0.09 0.00 0.00 178.44 180.91 2grr h GLY 115 N 1.01 1.00 1.26 0.83 0.00 0.19 -0.65 103.07 106.71 2grr h GLY 115 Ca 0.05 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 2grr h GLY 115 CO 0.08 0.57 -0.24 -2.22 0.00 0.00 0.00 176.54 174.73 2grr h ILE 116 N 0.84 1.27 -0.60 2.60 2.04 -0.79 -1.38 117.51 121.49 2grr h ILE 116 Ca 0.19 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 2grr h ILE 116 Cb 0.32 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2grr h ILE 116 CO -0.00 0.46 0.34 -0.61 0.00 0.00 0.00 178.15 178.34 2grr h GLN 117 N 0.73 0.84 -0.76 2.37 4.15 -0.77 -2.11 115.11 119.55 2grr h GLN 117 Ca 0.09 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2grr h GLN 117 Cb 0.78 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 2grr h GLN 117 CO 0.06 0.63 0.32 1.49 -1.93 0.00 0.00 178.83 179.41 2grr h GLU 118 N 0.82 1.13 -0.51 1.69 4.81 -0.91 -2.66 114.58 118.95 2grr h GLU 118 Ca 0.21 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2grr h GLU 118 Cb 0.03 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2grr h GLU 118 CO -0.04 0.91 0.34 1.25 -0.73 0.00 0.00 179.01 180.74 2grr h LEU 119 N 1.09 0.54 -0.44 1.64 5.85 -0.74 -2.51 115.31 120.74 2grr h LEU 119 Ca 0.26 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.03 2grr h LEU 119 Cb 0.19 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 2grr h LEU 119 CO -0.02 0.38 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.93 2grr h LEU 120 N 0.63 -1.54 -0.74 2.25 3.38 -1.02 -2.12 115.31 116.15 2grr h LEU 120 Ca 0.19 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2grr h LEU 120 Cb 0.01 0.67 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2grr h LEU 120 CO -0.05 -0.37 -0.28 -3.20 0.09 0.00 0.00 178.44 174.64 2grr n ASN 121 N -5.41 1.42 -3.29 -0.43 5.15 -1.19 -4.42 115.26 107.10 2grr n ASN 121 Ca -0.01 -1.17 -0.25 0.00 -0.60 0.00 0.00 54.58 52.55 2grr n ASN 121 Cb 0.35 0.20 -0.07 0.00 -0.53 0.00 0.00 39.78 39.73 2grr n ASN 121 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2grr n GLU 122 N -0.31 1.60 -1.41 1.20 -0.58 -0.83 -5.11 120.64 115.20 2grr n GLU 122 Ca 0.12 -3.92 -0.33 0.00 -0.42 0.00 0.00 57.16 52.61 2grr n GLU 122 Cb 0.39 -1.72 0.09 0.00 -0.57 0.00 0.00 31.44 29.63 2grr n GLU 122 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2grr s PRO 123 N -1.86 2.20 -0.88 3.49 0.04 -0.98 -4.50 135.00 132.50 2grr s PRO 123 Ca 0.38 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 2grr s PRO 123 Cb 0.17 -1.86 0.18 0.00 0.04 0.00 0.00 34.50 33.03 2grr s PRO 123 CO -0.06 -1.74 0.94 1.21 0.04 0.00 0.00 177.00 177.38 2grr s ASN 124 N -2.46 6.71 0.59 6.66 3.84 -1.26 -4.88 114.94 124.14 2grr s ASN 124 Ca 0.69 -2.41 0.36 0.00 0.21 0.00 0.00 52.86 51.72 2grr s ASN 124 Cb -0.24 -2.30 1.85 0.00 -0.55 0.00 0.00 41.25 40.01 2grr s ASN 124 CO 0.47 -0.79 2.18 0.40 -2.79 0.00 0.00 177.10 176.57 2grr h ILE 125 N 5.25 0.18 0.00 -5.21 1.08 -1.97 -2.52 117.51 114.32 2grr h ILE 125 Ca 0.13 -0.29 -0.06 0.00 -0.39 0.00 0.00 64.86 64.26 2grr h ILE 125 Cb 1.03 1.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 2grr h ILE 125 CO 0.92 0.03 -0.28 1.56 -0.69 0.00 0.00 178.15 179.69 2grr h GLN 126 N 0.00 0.00 -2.11 2.37 7.50 -2.01 -3.36 115.11 117.50 2grr h GLN 126 Ca -0.00 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.57 2grr h GLN 126 Cb 0.23 0.00 -0.41 0.00 0.05 0.00 0.00 27.48 27.36 2grr h GLN 126 CO 0.00 0.28 -0.83 0.45 -1.50 0.00 0.00 178.83 177.23 2grr n SER 127 N -3.34 2.07 -4.78 1.46 2.88 -0.95 -5.11 113.62 105.85 2grr n SER 127 Ca 0.01 -3.09 -0.35 0.00 -1.33 0.00 0.00 58.87 54.11 2grr n SER 127 Cb 0.50 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 2grr n SER 127 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2grr s PRO 128 N -1.85 3.35 0.00 -1.46 0.04 -1.25 -4.79 135.00 129.04 2grr s PRO 128 Ca 0.37 1.55 0.13 0.00 0.04 0.00 0.00 61.00 63.09 2grr s PRO 128 Cb 0.16 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 2grr s PRO 128 CO -0.06 -0.84 0.62 0.00 0.04 0.00 0.00 177.00 176.76 2grr n ALA 129 N -1.40 3.51 -3.05 8.56 0.00 0.21 -4.96 120.51 123.38 2grr n ALA 129 Ca 0.11 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 2grr n ALA 129 Cb 0.51 -0.48 -0.12 0.00 0.00 0.00 0.00 19.45 19.37 2grr n ALA 129 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2grr s GLN 130 N -2.07 0.28 0.13 0.00 -2.07 -1.16 -4.23 119.66 110.54 2grr s GLN 130 Ca 0.07 -0.03 -0.09 0.00 -1.82 0.00 0.00 55.36 53.49 2grr s GLN 130 Cb 0.10 0.12 -0.07 0.00 -1.09 0.00 0.00 33.01 32.07 2grr s GLN 130 CO 0.48 -0.05 1.36 0.00 -1.32 0.00 0.00 175.29 175.76 2grr h ALA 131 N 5.32 0.43 0.40 2.60 0.00 -1.93 -3.25 119.26 122.82 2grr h ALA 131 Ca -0.27 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 2grr h ALA 131 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2grr h ALA 131 CO 0.41 0.71 -0.30 1.49 0.00 0.00 0.00 179.25 181.55 2grr h GLU 132 N 0.48 -0.65 -0.65 0.00 4.57 -1.97 -1.26 114.58 115.10 2grr h GLU 132 Ca -0.04 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2grr h GLU 132 Cb 1.34 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 30.05 2grr h GLU 132 CO 0.14 -0.43 0.32 0.00 -1.18 0.00 0.00 179.01 177.86 2grr h ALA 133 N -1.35 1.35 -0.14 2.92 0.00 -1.86 -2.26 119.26 117.91 2grr h ALA 133 Ca -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2grr h ALA 133 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2grr h ALA 133 CO 0.01 0.52 0.07 -0.92 0.00 0.00 0.00 179.25 178.93 2grr h TYR 134 N 0.91 0.19 -0.28 0.00 3.20 -1.58 -0.66 116.97 118.76 2grr h TYR 134 Ca 0.23 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.11 2grr h TYR 134 Cb 0.08 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 2grr h TYR 134 CO 0.01 0.22 0.12 1.15 -1.64 0.00 0.00 178.16 178.02 2grr h THR 135 N 0.11 0.97 -0.44 1.81 2.02 -0.91 -1.47 112.91 114.99 2grr h THR 135 Ca 0.05 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 2grr h THR 135 Cb 0.10 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2grr h THR 135 CO -0.01 0.05 -0.00 0.40 0.37 0.00 0.00 175.52 176.33 2grr h ILE 136 N 0.26 1.26 -0.57 3.11 2.04 -1.35 -0.63 117.51 121.63 2grr h ILE 136 Ca 0.12 -1.04 0.07 0.00 1.00 0.00 0.00 64.86 65.00 2grr h ILE 136 Cb 0.06 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2grr h ILE 136 CO -0.10 0.36 0.25 0.22 0.00 0.00 0.00 178.15 178.88 2grr h TYR 137 N 0.61 0.44 0.00 1.37 3.20 -0.85 0.17 116.97 121.92 2grr h TYR 137 Ca 0.12 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.85 2grr h TYR 137 Cb 0.50 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2grr h TYR 137 CO 0.04 0.17 -0.82 0.00 -1.64 0.00 0.00 178.16 175.91 2grr n GLN 139 N -3.53 0.64 -3.14 0.00 6.02 -0.26 -4.79 117.38 112.34 2grr n GLN 139 Ca -0.00 0.11 -0.08 0.00 -0.01 0.00 0.00 57.00 57.02 2grr n GLN 139 Cb 0.80 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 2grr n GLN 139 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2grr s ASN 140 N -5.56 -0.49 0.25 1.08 3.84 0.02 -5.02 114.94 109.06 2grr s ASN 140 Ca -0.06 -1.53 -0.04 0.00 0.21 0.00 0.00 52.86 51.45 2grr s ASN 140 Cb 0.09 1.32 0.40 0.00 -0.55 0.00 0.00 41.25 42.50 2grr s ASN 140 CO 0.83 -0.16 1.84 -0.09 -2.79 0.00 0.00 177.10 176.74 2grr h ARG 141 N 6.26 0.92 -0.67 0.43 9.65 -1.69 -0.12 114.38 129.17 2grr h ARG 141 Ca 0.08 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2grr h ARG 141 Cb 1.10 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 29.44 2grr h ARG 141 CO 0.13 0.61 0.36 0.28 2.80 0.00 0.00 179.97 184.15 2grr h VAL 142 N 0.95 1.21 -0.67 0.20 2.07 -1.92 -0.37 116.25 117.74 2grr h VAL 142 Ca 0.41 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 2grr h VAL 142 Cb 0.28 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2grr h VAL 142 CO -0.21 0.23 0.10 -0.08 0.02 0.00 0.00 177.57 177.64 2grr h GLU 143 N 0.92 1.11 -0.09 1.57 4.57 -1.69 -1.25 114.58 119.72 2grr h GLU 143 Ca 0.24 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2grr h GLU 143 Cb 0.05 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2grr h GLU 143 CO -0.04 1.02 0.01 -0.92 -1.18 0.00 0.00 179.01 177.90 2grr h TYR 144 N 1.03 0.02 -0.35 0.92 3.20 -0.52 -1.06 116.97 120.20 2grr h TYR 144 Ca 0.20 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2grr h TYR 144 Cb 0.45 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2grr h TYR 144 CO 0.03 0.00 0.08 0.93 -1.64 0.00 0.00 178.16 177.57 2grr h GLU 145 N 0.05 0.52 -0.43 1.82 4.39 -0.86 -0.76 114.58 119.31 2grr h GLU 145 Ca 0.04 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2grr h GLU 145 Cb 0.04 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2grr h GLU 145 CO -0.06 0.48 0.14 -0.22 -1.16 0.00 0.00 179.01 178.19 2grr h LYS 146 N 0.51 0.66 -0.27 2.33 3.64 -0.69 -0.47 116.57 122.28 2grr h LYS 146 Ca 0.12 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2grr h LYS 146 Cb 0.20 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2grr h LYS 146 CO -0.00 0.64 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.54 2grr h ARG 147 N 0.56 0.49 -0.33 1.90 2.43 -0.64 -1.67 114.38 117.12 2grr h ARG 147 Ca 0.14 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2grr h ARG 147 Cb 0.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2grr h ARG 147 CO -0.01 0.66 -0.09 0.28 -1.51 0.00 0.00 179.97 179.30 2grr h VAL 148 N 0.44 1.28 -0.81 0.20 2.07 -0.80 -1.86 116.25 116.77 2grr h VAL 148 Ca 0.07 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 2grr h VAL 148 Cb 0.59 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2grr h VAL 148 CO 0.04 0.37 0.33 0.03 0.02 0.00 0.00 177.57 178.37 2grr h ARG 149 N 0.43 1.20 -0.67 1.57 3.08 -0.82 -0.61 114.38 118.55 2grr h ARG 149 Ca 0.08 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 2grr h ARG 149 Cb 0.59 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2grr h ARG 149 CO 0.03 0.96 0.20 0.00 -1.07 0.00 0.00 179.97 180.09 2grr h ALA 150 N 1.19 0.88 -0.37 0.04 0.00 -1.22 -1.47 119.26 118.32 2grr h ALA 150 Ca 0.27 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2grr h ALA 150 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2grr h ALA 150 CO -0.02 0.57 -0.17 0.37 0.00 0.00 0.00 179.25 179.99 2grr h GLN 151 N 0.99 0.69 -0.59 0.00 4.15 -0.96 -0.94 115.11 118.45 2grr h GLN 151 Ca 0.21 -0.25 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2grr h GLN 151 Cb 0.32 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 2grr h GLN 151 CO -0.00 0.82 0.07 0.00 -1.93 0.00 0.00 178.83 177.78 2grr h ALA 152 N 1.19 0.79 -0.35 3.38 0.00 -0.73 -2.08 119.26 121.47 2grr h ALA 152 Ca 0.10 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2grr h ALA 152 Cb 0.64 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2grr h ALA 152 CO 0.04 0.57 -0.27 -0.22 0.00 0.00 0.00 179.25 179.38 2grr h LYS 153 N 0.90 0.72 -0.40 0.00 3.64 -1.08 -2.56 116.57 117.80 2grr h LYS 153 Ca 0.18 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2grr h LYS 153 Cb 0.47 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2grr h LYS 153 CO 0.02 0.91 0.16 -0.22 -2.27 0.00 0.00 179.45 178.05 2grr h LYS 154 N 0.62 0.56 -0.61 1.90 3.64 -0.83 -2.58 116.57 119.27 2grr h LYS 154 Ca 0.08 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.15 2grr h LYS 154 Cb 0.78 -0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.35 2grr h LYS 154 CO 0.06 0.46 0.21 1.19 -2.27 0.00 0.00 179.45 179.11 2grr n PHE 155 N -4.39 1.96 -2.69 1.91 3.72 -0.81 -4.98 117.46 112.18 2grr n PHE 155 Ca 0.03 -1.42 -0.41 0.00 -0.05 0.00 0.00 57.45 55.60 2grr n PHE 155 Cb 0.14 -0.63 -0.04 0.00 -0.94 0.00 0.00 39.48 38.00 2grr n PHE 155 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2grr s ALA 156 N -3.12 3.25 -2.00 4.37 0.00 -0.97 -0.59 121.76 122.70 2grr s ALA 156 Ca 0.51 0.61 0.17 0.00 0.00 0.00 0.00 51.96 53.24 2grr s ALA 156 Cb 0.42 -3.30 0.99 0.00 0.00 0.00 0.00 23.12 21.24 2grr s ALA 156 CO 0.08 -0.08 1.40 -0.35 0.00 0.00 0.00 175.76 176.81