#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grn n SER 2 N 0.00 3.40 -0.03 7.83 3.41 -1.26 -4.73 113.62 122.24 2grn n SER 2 Ca 0.00 -3.22 0.12 0.00 -0.26 0.00 0.00 58.87 55.51 2grn n SER 2 Cb 0.00 -0.56 0.53 0.00 -0.26 0.00 0.00 64.21 63.92 2grn n SER 2 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2grn h GLY 3 N 1.43 0.45 0.89 5.00 0.00 -1.98 0.41 103.07 109.27 2grn h GLY 3 Ca 0.06 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 2grn h GLY 3 CO 0.25 0.09 -0.49 -2.22 0.00 0.00 0.00 176.54 174.18 2grn h ILE 4 N 0.34 1.36 -0.38 2.60 2.04 -1.89 -1.98 117.51 119.59 2grn h ILE 4 Ca 0.23 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 2grn h ILE 4 Cb 0.47 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 2grn h ILE 4 CO -0.05 0.54 0.20 0.00 0.00 0.00 0.00 178.15 178.84 2grn h ALA 5 N 0.49 0.49 -0.72 1.87 0.00 -1.37 -2.43 119.26 117.59 2grn h ALA 5 Ca -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2grn h ALA 5 Cb 1.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2grn h ALA 5 CO 0.10 0.02 0.44 -0.07 0.00 0.00 0.00 179.25 179.74 2grn h LEU 6 N 0.48 0.85 -0.25 0.00 3.38 -0.95 0.31 115.31 119.13 2grn h LEU 6 Ca 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2grn h LEU 6 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2grn h LEU 6 CO -0.02 0.65 0.11 0.28 0.09 0.00 0.00 178.44 179.55 2grn h SER 7 N 0.99 0.34 -0.07 -0.43 0.02 -1.04 -1.22 113.55 112.13 2grn h SER 7 Ca 0.26 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2grn h SER 7 Cb -0.05 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2grn h SER 7 CO -0.05 0.39 0.02 -0.09 -1.14 0.00 0.00 176.83 175.96 2grn h ARG 8 N 0.26 0.11 -0.30 3.45 9.65 -1.04 -2.94 114.38 123.57 2grn h ARG 8 Ca 0.08 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2grn h ARG 8 Cb 0.15 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2grn h ARG 8 CO -0.01 0.27 0.16 -0.07 2.80 0.00 0.00 179.97 183.12 2grn h LEU 9 N -0.07 0.36 -0.79 3.80 3.38 -0.87 0.73 115.31 121.85 2grn h LEU 9 Ca 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2grn h LEU 9 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2grn h LEU 9 CO -0.00 0.30 0.22 0.00 0.09 0.00 0.00 178.44 179.05 2grn h ALA 10 N 1.76 1.02 -0.11 1.53 0.00 -1.11 -0.92 119.26 121.43 2grn h ALA 10 Ca 0.11 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2grn h ALA 10 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2grn h ALA 10 CO -0.02 0.66 -0.70 1.96 0.00 0.00 0.00 179.25 181.15 2grn h GLN 11 N 1.08 0.48 -0.90 0.00 1.08 -1.03 -2.47 115.11 113.35 2grn h GLN 11 Ca 0.23 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 2grn h GLN 11 Cb 0.31 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 2grn h GLN 11 CO -0.01 1.00 0.50 0.93 -0.95 0.00 0.00 178.83 180.31 2grn h GLU 12 N 0.34 1.26 -0.31 1.46 4.39 -0.58 -0.93 114.58 120.21 2grn h GLU 12 Ca -0.03 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 2grn h GLU 12 Cb 1.27 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2grn h GLU 12 CO 0.13 0.91 0.10 -0.09 -1.16 0.00 0.00 179.01 178.90 2grn h ARG 13 N 1.26 0.48 -0.75 2.33 2.43 -1.05 -0.33 114.38 118.75 2grn h ARG 13 Ca 0.32 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2grn h ARG 13 Cb 0.02 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2grn h ARG 13 CO -0.05 0.52 0.25 0.87 -1.51 0.00 0.00 179.97 180.05 2grn h LYS 14 N 0.35 1.16 -0.19 0.20 1.57 -1.14 -0.74 116.57 117.77 2grn h LYS 14 Ca 0.10 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2grn h LYS 14 Cb 0.23 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2grn h LYS 14 CO -0.00 0.97 0.09 0.00 -0.57 0.00 0.00 179.45 179.94 2grn h ALA 15 N 1.13 0.25 -0.39 3.86 0.00 -1.00 -0.80 119.26 122.30 2grn h ALA 15 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2grn h ALA 15 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2grn h ALA 15 CO -0.01 -0.19 0.21 2.35 0.00 0.00 0.00 179.25 181.60 2grn h TRP 16 N 0.18 0.54 -0.15 0.00 2.91 -0.86 -1.42 115.95 117.16 2grn h TRP 16 Ca 0.07 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.03 2grn h TRP 16 Cb 0.12 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 2grn h TRP 16 CO -0.03 0.43 -0.08 0.00 -1.03 0.00 0.00 178.44 177.73 2grn h ARG 17 N 0.50 0.22 -0.33 2.65 3.08 -1.00 -2.46 114.38 117.04 2grn h ARG 17 Ca 0.14 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 2grn h ARG 17 Cb 0.07 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2grn h ARG 17 CO -0.02 0.32 -0.47 -0.22 -1.07 0.00 0.00 179.97 178.51 2grn h LYS 18 N 0.21 0.89 -1.71 0.04 3.64 -0.65 -3.45 116.57 115.54 2grn h LYS 18 Ca 0.05 -0.52 0.08 0.00 -1.27 0.00 0.00 60.65 58.99 2grn h LYS 18 Cb 0.29 0.04 -0.23 0.00 -0.41 0.00 0.00 32.23 31.91 2grn h LYS 18 CO 0.01 1.16 0.15 0.34 -2.27 0.00 0.00 179.45 178.85 2grn s ASP 19 N -6.90 -0.78 0.14 4.20 2.15 -0.58 -5.10 116.67 109.80 2grn s ASP 19 Ca -0.11 1.19 -0.15 0.00 0.43 0.00 0.00 52.55 53.91 2grn s ASP 19 Cb 0.11 1.50 0.03 0.00 -0.30 0.00 0.00 42.92 44.25 2grn s ASP 19 CO 0.88 -0.18 0.41 -1.38 -0.17 0.00 0.00 175.17 174.73 2grn s HIS 20 N 1.82 -0.12 0.35 -5.34 -3.43 -1.23 -4.41 115.29 102.92 2grn s HIS 20 Ca -0.08 -0.21 -0.29 0.00 -0.80 0.00 0.00 55.06 53.69 2grn s HIS 20 Cb -0.06 0.25 -0.11 0.00 -1.43 0.00 0.00 32.58 31.23 2grn s HIS 20 CO -0.18 -0.74 1.43 -1.25 -2.00 0.00 0.00 174.74 172.00 2grn s PRO 21 N -3.83 4.20 0.43 -0.38 0.04 -1.26 -4.94 135.00 129.25 2grn s PRO 21 Ca 0.05 2.43 -0.26 0.00 0.04 0.00 0.00 61.00 63.27 2grn s PRO 21 Cb 0.02 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 2grn s PRO 21 CO -0.09 -0.42 1.46 0.12 0.04 0.00 0.00 177.00 178.12 2grn s PHE 22 N -0.96 2.47 0.00 0.56 5.36 -1.26 -2.53 117.98 121.62 2grn s PHE 22 Ca 0.53 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 2grn s PHE 22 Cb -0.44 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.25 2grn s PHE 22 CO 0.57 -3.05 0.00 0.41 -1.46 0.00 0.00 175.22 171.69 2grn n GLY 23 N 0.52 3.18 3.85 13.12 0.00 -1.26 -4.96 105.19 119.64 2grn n GLY 23 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2grn n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2grn s PHE 24 N -1.99 3.37 -0.01 1.61 0.40 -1.05 -4.33 117.98 115.98 2grn s PHE 24 Ca 0.00 1.24 0.03 0.00 -0.60 0.00 0.00 56.93 57.59 2grn s PHE 24 Cb 0.00 -2.55 -0.00 0.00 0.51 0.00 0.00 43.02 40.98 2grn s PHE 24 CO 0.00 0.08 -0.09 0.08 0.70 0.00 0.00 175.22 175.99 2grn s VAL 25 N -2.00 0.72 -0.28 -0.44 1.01 -0.69 -4.95 120.40 113.76 2grn s VAL 25 Ca 0.55 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.19 2grn s VAL 25 Cb -0.10 -0.62 0.17 0.00 0.00 0.00 0.00 36.38 35.83 2grn s VAL 25 CO 0.17 0.21 0.49 0.00 0.00 0.00 0.00 175.10 175.98 2grn s ALA 26 N -0.03 -1.75 -0.02 5.51 0.00 -1.26 -1.10 121.76 123.12 2grn s ALA 26 Ca 0.01 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.82 2grn s ALA 26 Cb -0.06 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.89 2grn s ALA 26 CO -0.00 -1.65 -0.02 0.14 0.00 0.00 0.00 175.76 174.24 2grn s VAL 27 N 2.69 0.23 0.46 0.00 -7.23 -0.66 -4.98 120.40 110.92 2grn s VAL 27 Ca 0.12 -0.04 -0.25 0.00 -1.81 0.00 0.00 61.98 60.00 2grn s VAL 27 Cb -0.12 -0.26 -0.08 0.00 0.56 0.00 0.00 36.38 36.48 2grn s VAL 27 CO -0.25 0.11 1.36 -2.84 -0.31 0.00 0.00 175.10 173.17 2grn s PRO 28 N 0.45 3.64 0.95 4.82 0.02 -1.26 -0.54 135.00 143.07 2grn s PRO 28 Ca -0.04 2.27 -0.14 0.00 0.02 0.00 0.00 61.00 63.10 2grn s PRO 28 Cb -0.07 -2.58 0.17 0.00 0.02 0.00 0.00 34.50 32.04 2grn s PRO 28 CO -0.01 -0.80 1.20 0.95 -0.33 0.00 0.00 177.00 178.01 2grn s THR 29 N -1.26 1.94 0.05 0.99 -4.23 0.10 -4.78 115.64 108.46 2grn s THR 29 Ca 0.62 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.17 2grn s THR 29 Cb -0.41 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 2grn s THR 29 CO 0.51 0.00 0.01 -0.54 -0.54 0.00 0.00 174.62 174.06 2grn s LYS 30 N -5.55 2.68 0.63 3.99 -0.14 -1.26 0.11 119.74 120.21 2grn s LYS 30 Ca 0.67 -0.72 -0.07 0.00 -1.36 0.00 0.00 55.97 54.50 2grn s LYS 30 Cb -0.10 -2.61 0.02 0.00 -1.68 0.00 0.00 37.83 33.46 2grn s LYS 30 CO 0.53 0.58 0.95 -0.80 -0.76 0.00 0.00 175.35 175.85 2grn s ASN 31 N -1.97 5.37 0.43 2.83 0.01 0.18 -4.77 114.94 117.02 2grn s ASN 31 Ca 0.23 0.68 0.14 0.00 -0.71 0.00 0.00 52.86 53.20 2grn s ASN 31 Cb -0.12 -1.56 1.03 0.00 0.41 0.00 0.00 41.25 41.01 2grn s ASN 31 CO 0.15 -1.23 1.96 -0.65 -1.51 0.00 0.00 177.10 175.81 2grn h PRO 32 N -0.33 0.41 0.00 -0.60 0.11 -2.00 -0.48 132.00 129.11 2grn h PRO 32 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2grn h PRO 32 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2grn h PRO 32 CO 0.61 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 2grn n ASP 33 N -4.47 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.65 2grn n ASP 33 Ca 0.11 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 2grn n ASP 33 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2grn n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2grn n GLY 34 N 0.74 2.53 3.79 6.12 0.00 -0.19 -5.05 105.19 113.12 2grn n GLY 34 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2grn n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2grn s THR 35 N -2.42 3.55 0.25 2.61 -4.23 -1.26 -4.64 115.64 109.51 2grn s THR 35 Ca 0.00 0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 60.77 2grn s THR 35 Cb 0.00 -3.12 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 2grn s THR 35 CO 0.00 -0.61 1.09 -0.32 -0.54 0.00 0.00 174.62 174.24 2grn s MET 36 N -4.74 4.64 -0.61 3.99 1.75 -1.26 0.50 119.30 123.57 2grn s MET 36 Ca 0.61 1.76 -0.07 0.00 -1.25 0.00 0.00 55.69 56.75 2grn s MET 36 Cb -0.17 -3.22 0.16 0.00 2.84 0.00 0.00 34.83 34.45 2grn s MET 36 CO 0.52 0.20 0.47 1.21 -0.65 0.00 0.00 175.02 176.77 2grn s ASN 37 N -0.71 5.70 0.00 1.11 3.04 0.12 -4.73 114.94 119.47 2grn s ASN 37 Ca 0.45 -2.50 0.13 0.00 0.04 0.00 0.00 52.86 50.98 2grn s ASN 37 Cb -0.31 -1.97 0.55 0.00 -1.54 0.00 0.00 41.25 37.98 2grn s ASN 37 CO 0.39 -0.52 1.41 0.18 -3.04 0.00 0.00 177.10 175.52 2grn n LEU 38 N 4.06 0.00 -0.12 3.21 4.77 -1.26 -2.73 117.00 124.94 2grn n LEU 38 Ca 0.04 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 2grn n LEU 38 Cb 0.41 -0.49 0.38 0.00 -2.33 0.00 0.00 43.42 41.38 2grn n LEU 38 CO 0.36 -0.28 0.63 0.23 -1.33 0.00 0.00 177.39 177.00 2grn n MET 39 N -1.49 0.45 -3.67 3.23 2.81 -1.26 -4.73 117.12 112.45 2grn n MET 39 Ca 0.03 -0.24 -0.27 0.00 -1.81 0.00 0.00 57.70 55.41 2grn n MET 39 Cb 0.15 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.00 2grn n MET 39 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2grn s ASN 40 N -2.72 2.69 -0.02 7.83 3.84 -1.10 -1.14 114.94 124.31 2grn s ASN 40 Ca 0.19 -0.76 0.03 0.00 0.21 0.00 0.00 52.86 52.54 2grn s ASN 40 Cb 0.19 -0.42 -0.03 0.00 -0.55 0.00 0.00 41.25 40.44 2grn s ASN 40 CO 0.58 -0.34 -0.11 0.26 -2.79 0.00 0.00 177.10 174.71 2grn s TRP 41 N 2.00 2.78 -0.27 0.43 0.52 -0.15 0.01 118.94 124.27 2grn s TRP 41 Ca 0.01 -0.10 -0.09 0.00 0.02 0.00 0.00 56.10 55.94 2grn s TRP 41 Cb -0.17 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 2grn s TRP 41 CO -0.10 0.28 0.12 -1.21 0.02 0.00 0.00 176.95 176.06 2grn s GLU 42 N -1.05 3.72 0.37 4.98 2.02 0.29 -0.85 118.70 128.19 2grn s GLU 42 Ca 0.14 -0.45 0.07 0.00 0.02 0.00 0.00 54.97 54.75 2grn s GLU 42 Cb -0.11 -3.48 -0.07 0.00 0.10 0.00 0.00 34.13 30.57 2grn s GLU 42 CO 0.03 -0.22 -0.02 0.00 0.02 0.00 0.00 175.26 175.08 2grn s ALA 44 N -2.78 -0.78 -0.16 0.00 0.00 -0.26 -1.18 121.76 116.59 2grn s ALA 44 Ca 0.34 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2grn s ALA 44 Cb 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2grn s ALA 44 CO 0.17 -0.21 -0.16 0.42 0.00 0.00 0.00 175.76 175.98 2grn s ILE 45 N 0.99 2.51 0.22 0.00 1.01 0.05 -1.71 121.20 124.28 2grn s ILE 45 Ca -0.07 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 59.49 2grn s ILE 45 Cb -0.07 -2.06 -0.09 0.00 0.01 0.00 0.00 42.46 40.25 2grn s ILE 45 CO -0.07 0.52 0.88 -2.16 0.00 0.00 0.00 174.94 174.10 2grn s PRO 46 N 0.96 4.73 0.52 2.79 0.04 -1.26 -0.65 135.00 142.13 2grn s PRO 46 Ca -0.03 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 2grn s PRO 46 Cb -0.15 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 2grn s PRO 46 CO -0.03 0.53 1.35 0.20 0.04 0.00 0.00 177.00 179.08 2grn s GLY 47 N -1.20 2.88 -0.00 0.56 0.00 0.05 -4.92 107.32 104.69 2grn s GLY 47 Ca 0.39 1.31 -0.30 0.00 0.00 0.00 0.00 44.72 46.12 2grn s GLY 47 CO 0.29 1.83 1.16 1.25 0.00 0.00 0.00 173.10 177.63 2grn s LYS 48 N -2.82 4.42 0.37 2.90 2.20 -1.26 -4.50 119.74 121.05 2grn s LYS 48 Ca 0.69 1.66 -0.28 0.00 -0.36 0.00 0.00 55.97 57.68 2grn s LYS 48 Cb -0.40 -3.46 -0.11 0.00 -1.51 0.00 0.00 37.83 32.36 2grn s LYS 48 CO 0.47 -0.30 1.41 1.17 -0.36 0.00 0.00 175.35 177.75 2grn n LYS 49 N 4.47 2.46 -0.12 4.03 4.81 -1.26 -2.13 118.16 130.42 2grn n LYS 49 Ca 0.09 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 2grn n LYS 49 Cb 0.47 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.97 2grn n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2grn n GLY 50 N 0.57 0.85 3.63 3.14 0.00 -1.26 -5.01 105.19 107.12 2grn n GLY 50 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2grn n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2grn s THR 51 N -2.44 2.77 -1.61 2.61 -4.23 -0.90 -5.00 115.64 106.82 2grn s THR 51 Ca 0.00 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 58.65 2grn s THR 51 Cb 0.00 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.26 2grn s THR 51 CO 0.00 -0.23 1.16 -0.81 -0.54 0.00 0.00 174.62 174.20 2grn n PRO 52 N -0.95 0.20 0.00 3.99 -0.04 -1.26 -1.34 135.00 135.61 2grn n PRO 52 Ca -0.04 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2grn n PRO 52 Cb 0.62 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.78 2grn n PRO 52 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2grn n TRP 53 N -1.19 0.00 -1.68 0.54 7.02 -1.26 -4.01 117.44 116.85 2grn n TRP 53 Ca 0.06 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.12 2grn n TRP 53 Cb 0.07 -0.13 0.01 0.00 -2.42 0.00 0.00 31.31 28.83 2grn n TRP 53 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2grn n GLU 54 N -0.96 1.89 0.00 -0.99 2.13 -0.45 -2.49 120.64 119.77 2grn n GLU 54 Ca 0.08 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2grn n GLU 54 Cb 0.36 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.77 2grn n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2grn n GLY 55 N 0.87 2.00 3.92 8.31 0.00 -1.26 -4.79 105.19 114.24 2grn n GLY 55 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2grn n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2grn s GLY 56 N -1.97 2.16 -0.26 -0.02 0.00 -1.04 -4.06 107.32 102.14 2grn s GLY 56 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.91 2grn s GLY 56 CO 0.00 -0.81 -0.07 -2.27 0.00 0.00 0.00 173.10 169.95 2grn s LEU 57 N -2.57 3.20 -0.38 0.66 1.98 -0.20 -0.77 118.68 120.60 2grn s LEU 57 Ca 0.35 -1.38 -0.14 0.00 -2.89 0.00 0.00 54.13 50.07 2grn s LEU 57 Cb -0.13 -1.41 0.01 0.00 0.66 0.00 0.00 46.19 45.32 2grn s LEU 57 CO 0.28 -0.23 0.29 -0.36 -1.89 0.00 0.00 176.35 174.44 2grn s PHE 58 N 1.20 3.23 0.26 5.38 0.08 0.18 -4.80 117.98 123.51 2grn s PHE 58 Ca -0.06 -0.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.31 2grn s PHE 58 Cb -0.19 -2.57 -0.09 0.00 -0.57 0.00 0.00 43.02 39.60 2grn s PHE 58 CO -0.06 -0.51 0.86 0.15 -0.10 0.00 0.00 175.22 175.56 2grn s LYS 59 N 1.73 4.54 0.08 0.44 1.02 -1.26 -0.77 119.74 125.51 2grn s LYS 59 Ca 0.06 1.21 -0.13 0.00 0.02 0.00 0.00 55.97 57.13 2grn s LYS 59 Cb -0.18 -2.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 2grn s LYS 59 CO 0.10 0.39 0.30 -0.48 -0.92 0.00 0.00 175.35 174.75 2grn s LEU 60 N -1.77 0.88 -0.07 3.17 2.34 -0.33 -1.08 118.68 121.82 2grn s LEU 60 Ca 0.45 -0.34 0.00 0.00 0.06 0.00 0.00 54.13 54.31 2grn s LEU 60 Cb -0.20 1.41 -0.03 0.00 -0.56 0.00 0.00 46.19 46.82 2grn s LEU 60 CO 0.25 -0.71 -0.06 -0.60 -1.06 0.00 0.00 176.35 174.17 2grn s ARG 61 N -3.22 2.81 -0.21 1.48 3.52 0.66 -0.46 118.95 123.53 2grn s ARG 61 Ca -0.00 -0.53 -0.02 0.00 -0.13 0.00 0.00 55.73 55.04 2grn s ARG 61 Cb 0.01 -2.62 0.01 0.00 -1.56 0.00 0.00 34.95 30.79 2grn s ARG 61 CO -0.08 0.65 -0.09 -1.64 -0.81 0.00 0.00 175.30 173.33 2grn s MET 62 N -0.76 3.16 -0.16 5.12 -1.94 -0.03 -1.00 119.30 123.69 2grn s MET 62 Ca 0.12 -0.75 -0.02 0.00 -1.71 0.00 0.00 55.69 53.32 2grn s MET 62 Cb -0.11 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.83 2grn s MET 62 CO 0.02 -0.24 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.20 2grn s LEU 63 N 1.39 2.99 -0.07 -0.03 1.43 0.16 -0.98 118.68 123.57 2grn s LEU 63 Ca 0.04 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2grn s LEU 63 Cb -0.14 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2grn s LEU 63 CO -0.06 0.13 0.04 -0.36 0.23 0.00 0.00 176.35 176.33 2grn s PHE 64 N 0.60 3.26 0.47 0.29 0.40 -0.30 -0.47 117.98 122.24 2grn s PHE 64 Ca -0.04 0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.51 2grn s PHE 64 Cb -0.15 -1.80 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 2grn s PHE 64 CO 0.03 0.54 0.74 0.15 0.70 0.00 0.00 175.22 177.37 2grn s LYS 65 N -1.11 3.27 0.63 0.44 1.02 -1.26 -4.88 119.74 117.85 2grn s LYS 65 Ca 0.16 -0.13 0.37 0.00 0.02 0.00 0.00 55.97 56.39 2grn s LYS 65 Cb -0.12 -2.45 2.09 0.00 -0.52 0.00 0.00 37.83 36.83 2grn s LYS 65 CO 0.05 -0.27 2.27 -0.44 -0.92 0.00 0.00 175.35 176.05 2grn h ASP 66 N 0.28 0.00 -0.54 2.83 3.45 -1.96 -1.66 116.42 118.82 2grn h ASP 66 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2grn h ASP 66 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2grn h ASP 66 CO 0.60 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.37 2grn n ASP 67 N -3.40 3.09 -4.76 6.45 5.75 -1.26 -4.54 116.55 117.87 2grn n ASP 67 Ca -0.02 -2.06 -0.39 0.00 -0.01 0.00 0.00 54.79 52.30 2grn n ASP 67 Cb 0.13 -0.39 0.02 0.00 -1.03 0.00 0.00 41.12 39.84 2grn n ASP 67 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2grn s TYR 68 N -1.36 2.51 -0.50 2.11 5.04 -0.63 -0.54 117.35 123.99 2grn s TYR 68 Ca 0.37 1.32 0.05 0.00 -2.44 0.00 0.00 57.07 56.38 2grn s TYR 68 Cb 0.20 -3.83 0.38 0.00 0.35 0.00 0.00 41.96 39.06 2grn s TYR 68 CO 0.24 -2.71 1.21 -0.35 -1.34 0.00 0.00 175.55 172.60 2grn n PRO 69 N -0.30 2.49 0.09 4.97 -0.04 -1.26 -3.39 135.00 137.55 2grn n PRO 69 Ca 0.06 -1.50 -0.02 0.00 -0.04 0.00 0.00 63.50 61.99 2grn n PRO 69 Cb 0.43 -1.78 0.22 0.00 -0.04 0.00 0.00 33.50 32.33 2grn n PRO 69 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2grn h SER 70 N 1.48 0.28 -3.08 3.54 0.02 -1.18 -3.32 113.55 111.29 2grn h SER 70 Ca 0.10 -0.12 -0.63 0.00 -0.84 0.00 0.00 61.79 60.30 2grn h SER 70 Cb 1.44 -0.08 -0.14 0.00 0.14 0.00 0.00 62.40 63.76 2grn h SER 70 CO 0.33 0.66 -0.72 -0.94 -1.14 0.00 0.00 176.83 175.03 2grn s SER 71 N -6.87 4.34 0.65 3.07 1.04 -1.24 -4.85 113.70 109.83 2grn s SER 71 Ca -0.05 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 55.75 2grn s SER 71 Cb 0.13 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 65.47 2grn s SER 71 CO 0.78 0.11 1.04 -2.16 0.98 0.00 0.00 173.24 173.99 2grn s PRO 72 N -2.74 3.24 0.57 4.02 0.04 -1.26 -4.58 135.00 134.29 2grn s PRO 72 Ca 0.25 0.55 -0.13 0.00 0.04 0.00 0.00 61.00 61.71 2grn s PRO 72 Cb -0.09 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2grn s PRO 72 CO 0.15 -0.76 1.00 -1.25 0.04 0.00 0.00 177.00 176.18 2grn s PRO 73 N -5.22 3.73 -0.24 0.56 0.04 -1.26 -4.72 135.00 127.89 2grn s PRO 73 Ca 0.56 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 2grn s PRO 73 Cb -0.11 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2grn s PRO 73 CO 0.52 -0.43 0.17 0.21 0.04 0.00 0.00 177.00 177.51 2grn s LYS 74 N -4.72 4.08 -0.20 4.56 2.20 0.39 -4.89 119.74 121.16 2grn s LYS 74 Ca 0.56 -0.25 -0.04 0.00 -0.36 0.00 0.00 55.97 55.88 2grn s LYS 74 Cb -0.11 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 2grn s LYS 74 CO 0.45 0.06 -0.02 0.00 -0.36 0.00 0.00 175.35 175.48 2grn s LYS 76 N 1.00 1.41 0.25 0.00 1.02 -0.17 -1.21 119.74 122.04 2grn s LYS 76 Ca 0.01 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.46 2grn s LYS 76 Cb -0.14 -1.39 -0.09 0.00 -0.52 0.00 0.00 37.83 35.68 2grn s LYS 76 CO 0.01 -0.16 1.27 -0.06 -0.92 0.00 0.00 175.35 175.49 2grn s PHE 77 N 1.34 3.25 -0.21 3.18 0.08 0.20 -0.24 117.98 125.57 2grn s PHE 77 Ca -0.03 1.36 -0.02 0.00 0.12 0.00 0.00 56.93 58.36 2grn s PHE 77 Cb -0.14 -3.57 0.06 0.00 -0.57 0.00 0.00 43.02 38.80 2grn s PHE 77 CO -0.04 -1.65 0.02 -1.21 -0.10 0.00 0.00 175.22 172.25 2grn s GLU 78 N -0.81 0.85 0.97 0.44 2.02 -0.24 -3.18 118.70 118.75 2grn s GLU 78 Ca 0.52 -0.59 -0.15 0.00 0.02 0.00 0.00 54.97 54.77 2grn s GLU 78 Cb -0.37 -2.20 0.18 0.00 0.10 0.00 0.00 34.13 31.85 2grn s GLU 78 CO 0.43 -0.66 1.22 -1.25 0.02 0.00 0.00 175.26 175.02 2grn s PRO 79 N 1.75 0.64 0.53 0.39 0.04 -1.26 -4.43 135.00 132.65 2grn s PRO 79 Ca -0.01 -0.10 -0.22 0.00 0.04 0.00 0.00 61.00 60.70 2grn s PRO 79 Cb -0.17 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2grn s PRO 79 CO -0.09 -2.47 1.38 -2.30 0.04 0.00 0.00 177.00 173.57 2grn n PRO 80 N -3.87 1.82 -4.14 0.56 -0.02 -1.19 -4.97 135.00 123.19 2grn n PRO 80 Ca 0.12 0.66 -0.28 0.00 -2.02 0.00 0.00 63.50 61.98 2grn n PRO 80 Cb 0.60 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.41 2grn n PRO 80 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2grn s LEU 81 N -3.33 3.53 -0.54 2.45 1.43 -1.26 -5.02 118.68 115.94 2grn s LEU 81 Ca 0.70 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.28 2grn s LEU 81 Cb -0.42 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.63 2grn s LEU 81 CO 0.51 0.11 1.23 0.12 0.23 0.00 0.00 176.35 178.55 2grn s PHE 82 N -1.59 2.60 -0.28 0.29 5.36 -1.26 -4.81 117.98 118.28 2grn s PHE 82 Ca 0.28 0.51 -0.25 0.00 -0.96 0.00 0.00 56.93 56.52 2grn s PHE 82 Cb -0.10 -4.47 0.12 0.00 -0.34 0.00 0.00 43.02 38.22 2grn s PHE 82 CO 0.20 -1.60 1.01 -1.58 -1.46 0.00 0.00 175.22 171.79 2grn s HIS 83 N 5.03 -0.50 0.53 10.12 2.46 -1.26 -4.97 115.29 126.69 2grn s HIS 83 Ca 0.47 1.22 0.23 0.00 0.47 0.00 0.00 55.06 57.45 2grn s HIS 83 Cb -0.08 0.36 1.37 0.00 -0.13 0.00 0.00 32.58 34.09 2grn s HIS 83 CO 0.27 -0.24 2.03 -1.35 -2.47 0.00 0.00 174.74 172.98 2grn h PRO 84 N 4.36 0.01 -0.47 2.88 0.11 -1.89 -2.54 132.00 134.45 2grn h PRO 84 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2grn h PRO 84 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2grn h PRO 84 CO 0.11 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.99 2grn n ASN 85 N -4.41 4.77 -4.20 -2.05 4.13 -1.26 0.76 115.26 113.00 2grn n ASN 85 Ca 0.07 -2.82 -0.34 0.00 1.68 0.00 0.00 54.58 53.18 2grn n ASN 85 Cb 0.50 -0.59 -0.15 0.00 -1.54 0.00 0.00 39.78 37.99 2grn n ASN 85 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2grn s VAL 86 N -2.52 2.52 0.86 2.41 1.01 -0.96 -1.95 120.40 121.77 2grn s VAL 86 Ca 0.48 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 2grn s VAL 86 Cb 0.36 -2.09 0.11 0.00 0.00 0.00 0.00 36.38 34.77 2grn s VAL 86 CO 0.15 0.50 1.14 -0.31 0.00 0.00 0.00 175.10 176.58 2grn s TYR 87 N 1.24 1.89 0.55 5.22 2.02 -0.01 -4.19 117.35 124.07 2grn s TYR 87 Ca 0.03 1.72 0.33 0.00 -0.37 0.00 0.00 57.07 58.79 2grn s TYR 87 Cb -0.14 -3.28 1.89 0.00 -0.40 0.00 0.00 41.96 40.03 2grn s TYR 87 CO -0.08 -2.55 2.24 -1.35 -1.57 0.00 0.00 175.55 172.25 2grn h PRO 88 N -1.55 0.00 0.00 -1.71 0.11 -1.90 0.67 132.00 127.62 2grn h PRO 88 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2grn h PRO 88 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2grn h PRO 88 CO 0.45 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 178.92 2grn h SER 89 N 0.00 0.00 0.00 -2.05 4.64 -1.96 -3.44 113.55 110.73 2grn h SER 89 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2grn h SER 89 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2grn h SER 89 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2grn n GLY 90 N 0.69 1.68 3.71 -0.77 0.00 0.23 -4.74 105.19 105.99 2grn n GLY 90 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2grn n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2grn s THR 91 N -2.22 2.37 -0.03 2.61 2.01 -1.26 -0.63 115.64 118.49 2grn s THR 91 Ca 0.00 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 2grn s THR 91 Cb 0.00 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 2grn s THR 91 CO 0.00 0.01 0.37 -0.69 -0.69 0.00 0.00 174.62 173.61 2grn s VAL 92 N 1.81 5.11 -0.16 3.82 1.01 -0.35 -0.83 120.40 130.81 2grn s VAL 92 Ca 0.76 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 2grn s VAL 92 Cb -0.47 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2grn s VAL 92 CO 0.33 0.57 0.02 0.00 0.00 0.00 0.00 175.10 176.03 2grn s LEU 94 N 0.22 -0.14 0.22 0.00 2.96 -1.26 -4.97 118.68 115.71 2grn s LEU 94 Ca 0.02 1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.90 2grn s LEU 94 Cb -0.13 1.95 0.31 0.00 0.50 0.00 0.00 46.19 48.82 2grn s LEU 94 CO 0.01 -0.24 1.78 0.28 -1.32 0.00 0.00 176.35 176.86 2grn h SER 95 N 5.00 0.46 0.26 3.68 0.02 -1.98 0.67 113.55 121.67 2grn h SER 95 Ca -0.28 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2grn h SER 95 Cb 1.17 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2grn h SER 95 CO 0.18 0.27 0.00 2.30 -1.14 0.00 0.00 176.83 178.44 2grn n ILE 96 N -4.86 0.86 -0.63 3.27 -5.35 -1.26 -1.57 119.36 109.83 2grn n ILE 96 Ca 0.10 0.22 0.08 0.00 -0.27 0.00 0.00 62.75 62.88 2grn n ILE 96 Cb 0.25 -1.03 0.30 0.00 -1.74 0.00 0.00 39.64 37.43 2grn n ILE 96 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2grn n LEU 97 N -1.35 4.27 -4.06 7.28 4.77 0.22 -3.69 117.00 124.44 2grn n LEU 97 Ca 0.05 -2.51 -0.31 0.00 -0.03 0.00 0.00 56.01 53.21 2grn n LEU 97 Cb 0.10 -0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.52 2grn n LEU 97 CO 0.09 0.76 -0.50 -1.61 -1.33 0.00 0.00 177.39 174.80 2grn s GLU 98 N -1.94 2.59 0.27 3.23 2.02 -0.76 -4.79 118.70 119.31 2grn s GLU 98 Ca 0.44 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 2grn s GLU 98 Cb 0.30 -2.30 0.53 0.00 0.10 0.00 0.00 34.13 32.76 2grn s GLU 98 CO 0.19 -0.23 1.77 1.49 0.02 0.00 0.00 175.26 178.51 2grn h GLU 99 N 8.01 0.66 -0.27 1.61 4.81 -1.89 0.56 114.58 128.07 2grn h GLU 99 Ca -0.41 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2grn h GLU 99 Cb 1.14 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2grn h GLU 99 CO 0.58 0.44 0.00 -0.40 -0.73 0.00 0.00 179.01 178.89 2grn n ASP 100 N -4.83 1.48 0.00 1.04 5.68 -1.26 -4.57 116.55 114.09 2grn n ASP 100 Ca 0.17 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 2grn n ASP 100 Cb 0.42 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 2grn n ASP 100 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2grn n LYS 101 N 0.30 0.00 -0.21 0.11 4.01 0.14 -5.01 118.16 117.50 2grn n LYS 101 Ca 0.10 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 58.00 2grn n LYS 101 Cb 0.24 0.00 0.21 0.00 -0.51 0.00 0.00 35.03 34.97 2grn n LYS 101 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2grn n ASP 102 N 0.00 3.34 -4.75 4.39 8.00 -0.61 -4.98 116.55 121.95 2grn n ASP 102 Ca 0.00 -1.95 -0.41 0.00 0.71 0.00 0.00 54.79 53.14 2grn n ASP 102 Cb 0.00 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 2grn n ASP 102 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2grn s TRP 103 N -1.23 3.26 -0.02 1.24 -0.11 -0.92 -4.57 118.94 116.60 2grn s TRP 103 Ca 0.36 1.35 0.01 0.00 1.22 0.00 0.00 56.10 59.03 2grn s TRP 103 Cb 0.20 -3.57 0.02 0.00 -1.50 0.00 0.00 33.47 28.62 2grn s TRP 103 CO 0.27 -1.65 -0.01 1.03 -4.62 0.00 0.00 176.95 171.98 2grn s ARG 104 N -0.72 0.23 0.50 5.86 0.52 -1.26 -4.86 118.95 119.21 2grn s ARG 104 Ca 0.53 0.02 0.42 0.00 -0.52 0.00 0.00 55.73 56.18 2grn s ARG 104 Cb -0.36 -0.35 1.60 0.00 0.52 0.00 0.00 34.95 36.35 2grn s ARG 104 CO 0.42 -0.07 1.53 -2.30 0.02 0.00 0.00 175.30 174.90 2grn n PRO 105 N 3.72 -0.02 0.16 3.54 -0.02 -1.25 -0.60 135.00 140.54 2grn n PRO 105 Ca -0.22 1.13 0.04 0.00 -2.02 0.00 0.00 63.50 62.44 2grn n PRO 105 Cb 0.54 -2.44 0.16 0.00 -0.02 0.00 0.00 33.50 31.73 2grn n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2grn h ALA 106 N 1.23 0.79 -1.54 3.55 0.00 -1.96 -3.46 119.26 117.87 2grn h ALA 106 Ca 0.90 -0.39 -0.69 0.00 0.00 0.00 0.00 54.91 54.73 2grn h ALA 106 Cb 3.32 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 21.11 2grn h ALA 106 CO -0.20 0.54 0.22 -0.89 0.00 0.00 0.00 179.25 178.92 2grn n ILE 107 N -3.31 0.55 -3.24 0.00 5.41 0.24 -4.95 119.36 114.05 2grn n ILE 107 Ca 0.01 -0.14 -0.21 0.00 1.00 0.00 0.00 62.75 63.41 2grn n ILE 107 Cb 0.64 -0.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 2grn n ILE 107 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2grn s THR 108 N -0.02 4.07 0.24 1.39 -4.23 -1.26 -4.99 115.64 110.84 2grn s THR 108 Ca 0.79 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 60.50 2grn s THR 108 Cb -0.96 -3.46 0.16 0.00 1.34 0.00 0.00 72.50 69.58 2grn s THR 108 CO 0.52 -0.25 1.81 0.40 -0.54 0.00 0.00 174.62 176.56 2grn h ILE 109 N 0.65 1.25 -0.58 2.99 2.04 -1.95 -1.63 117.51 120.28 2grn h ILE 109 Ca -0.46 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 64.62 2grn h ILE 109 Cb 1.25 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2grn h ILE 109 CO 0.55 0.32 0.37 0.50 0.00 0.00 0.00 178.15 179.89 2grn h LYS 110 N 1.03 0.73 -0.50 2.37 3.64 -1.97 0.30 116.57 122.17 2grn h LYS 110 Ca 0.24 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2grn h LYS 110 Cb 0.22 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2grn h LYS 110 CO -0.02 0.48 0.26 1.96 -2.27 0.00 0.00 179.45 179.87 2grn h GLN 111 N 0.75 0.70 0.30 1.90 4.20 -1.82 -0.29 115.11 120.86 2grn h GLN 111 Ca 0.22 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2grn h GLN 111 Cb -0.05 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.60 2grn h GLN 111 CO -0.07 0.56 -0.15 0.82 -0.67 0.00 0.00 178.83 179.33 2grn h ILE 112 N 0.66 0.71 -0.86 2.54 2.04 -0.84 0.21 117.51 121.97 2grn h ILE 112 Ca 0.17 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.99 2grn h ILE 112 Cb 0.07 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2grn h ILE 112 CO -0.03 0.01 0.56 -0.07 0.00 0.00 0.00 178.15 178.62 2grn h LEU 113 N -0.43 1.00 -0.60 1.44 3.38 -0.82 0.85 115.31 120.13 2grn h LEU 113 Ca -0.04 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 2grn h LEU 113 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2grn h LEU 113 CO 0.07 0.74 -0.47 -0.07 0.09 0.00 0.00 178.44 178.79 2grn h LEU 114 N 1.17 0.60 -0.57 1.67 3.38 -0.87 -1.35 115.31 119.35 2grn h LEU 114 Ca 0.31 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2grn h LEU 114 Cb -0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2grn h LEU 114 CO -0.07 0.98 0.27 1.23 0.09 0.00 0.00 178.44 180.94 2grn h GLY 115 N 1.07 0.88 1.08 0.83 0.00 0.47 -0.65 103.07 106.74 2grn h GLY 115 Ca 0.02 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 2grn h GLY 115 CO 0.09 0.42 -0.02 -2.22 0.00 0.00 0.00 176.54 174.81 2grn h ILE 116 N 0.77 1.27 -0.52 2.60 2.04 -0.73 -1.41 117.51 121.52 2grn h ILE 116 Ca 0.19 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.89 2grn h ILE 116 Cb 0.13 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2grn h ILE 116 CO -0.02 0.42 0.35 -0.61 0.00 0.00 0.00 178.15 178.28 2grn h GLN 117 N 0.93 0.69 -0.72 2.37 4.15 -0.85 -1.98 115.11 119.70 2grn h GLN 117 Ca 0.16 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 2grn h GLN 117 Cb 0.58 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2grn h GLN 117 CO 0.03 0.46 0.34 1.49 -1.93 0.00 0.00 178.83 179.22 2grn h GLU 118 N 0.71 1.03 -0.26 1.69 4.81 -0.92 -2.39 114.58 119.26 2grn h GLU 118 Ca 0.19 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2grn h GLU 118 Cb -0.08 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 2grn h GLU 118 CO -0.04 0.80 0.07 1.25 -0.73 0.00 0.00 179.01 180.35 2grn h LEU 119 N 1.03 0.33 -0.28 1.64 5.85 -0.55 -2.71 115.31 120.61 2grn h LEU 119 Ca 0.25 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.00 2grn h LEU 119 Cb 0.11 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 2grn h LEU 119 CO -0.03 0.33 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.98 2grn h LEU 120 N 0.36 -1.14 -0.70 2.25 3.38 -0.85 -2.49 115.31 116.12 2grn h LEU 120 Ca 0.09 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2grn h LEU 120 Cb 0.14 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2grn h LEU 120 CO -0.00 -0.35 -0.33 -3.20 0.09 0.00 0.00 178.44 174.64 2grn n ASN 121 N -5.42 1.41 -3.32 -0.43 5.15 -1.21 -4.47 115.26 106.98 2grn n ASN 121 Ca -0.01 -1.14 -0.26 0.00 -0.60 0.00 0.00 54.58 52.57 2grn n ASN 121 Cb 0.34 0.25 -0.08 0.00 -0.53 0.00 0.00 39.78 39.77 2grn n ASN 121 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2grn n GLU 122 N -0.39 1.70 -1.47 1.20 -0.58 -0.96 -5.11 120.64 115.04 2grn n GLU 122 Ca 0.11 -4.02 -0.33 0.00 -0.42 0.00 0.00 57.16 52.51 2grn n GLU 122 Cb 0.39 -1.79 0.08 0.00 -0.57 0.00 0.00 31.44 29.56 2grn n GLU 122 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2grn s PRO 123 N -1.88 2.34 -0.85 3.49 0.04 -1.08 -4.55 135.00 132.50 2grn s PRO 123 Ca 0.38 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 2grn s PRO 123 Cb 0.16 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 33.02 2grn s PRO 123 CO -0.06 -1.62 0.84 1.21 0.04 0.00 0.00 177.00 177.41 2grn s ASN 124 N -2.61 6.76 0.60 6.66 2.47 -1.26 -4.89 114.94 122.66 2grn s ASN 124 Ca 0.68 -2.61 0.39 0.00 0.42 0.00 0.00 52.86 51.73 2grn s ASN 124 Cb -0.22 -2.24 1.88 0.00 -1.45 0.00 0.00 41.25 39.21 2grn s ASN 124 CO 0.47 -0.65 2.16 0.40 -3.72 0.00 0.00 177.10 175.77 2grn h ILE 125 N 4.92 0.00 0.00 -5.21 1.08 -1.96 -2.75 117.51 113.59 2grn h ILE 125 Ca 0.12 -0.25 -0.06 0.00 -0.39 0.00 0.00 64.86 64.27 2grn h ILE 125 Cb 1.03 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 2grn h ILE 125 CO 0.82 0.00 -0.31 1.56 -0.69 0.00 0.00 178.15 179.53 2grn h GLN 126 N 0.00 0.00 -2.30 2.37 7.50 -2.01 -3.37 115.11 117.30 2grn h GLN 126 Ca 0.00 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.57 2grn h GLN 126 Cb 0.26 0.00 -0.39 0.00 0.05 0.00 0.00 27.48 27.40 2grn h GLN 126 CO 0.00 0.31 -0.96 -3.47 -1.50 0.00 0.00 178.83 173.20 2grn n ASP 127 N -3.47 0.26 -4.78 1.46 2.03 -1.04 -5.12 116.55 105.88 2grn n ASP 127 Ca -0.00 -2.61 -0.34 0.00 0.52 0.00 0.00 54.79 52.36 2grn n ASP 127 Cb 0.48 -0.60 -0.01 0.00 -0.72 0.00 0.00 41.12 40.27 2grn n ASP 127 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2grn s PRO 128 N -0.61 3.45 -0.00 -0.67 0.04 -1.25 -4.84 135.00 131.11 2grn s PRO 128 Ca 0.33 1.50 0.15 0.00 0.04 0.00 0.00 61.00 63.03 2grn s PRO 128 Cb 0.08 -2.03 -0.17 0.00 0.04 0.00 0.00 34.50 32.43 2grn s PRO 128 CO -0.16 -0.75 0.63 0.00 0.04 0.00 0.00 177.00 176.76 2grn n ALA 129 N -1.31 3.94 -2.98 8.56 0.00 0.23 -4.96 120.51 123.98 2grn n ALA 129 Ca 0.11 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 2grn n ALA 129 Cb 0.52 -0.55 -0.12 0.00 0.00 0.00 0.00 19.45 19.29 2grn n ALA 129 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2grn s GLN 130 N -2.45 0.20 0.10 0.00 -2.07 -1.15 -4.32 119.66 109.98 2grn s GLN 130 Ca 0.05 -0.10 -0.13 0.00 -1.82 0.00 0.00 55.36 53.36 2grn s GLN 130 Cb 0.11 0.08 -0.13 0.00 -1.09 0.00 0.00 33.01 31.99 2grn s GLN 130 CO 0.62 -0.03 1.35 0.00 -1.32 0.00 0.00 175.29 175.90 2grn h ALA 131 N 5.50 0.37 0.43 2.60 0.00 -1.93 -3.23 119.26 122.99 2grn h ALA 131 Ca -0.27 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2grn h ALA 131 Cb 1.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2grn h ALA 131 CO 0.44 0.61 -0.38 1.49 0.00 0.00 0.00 179.25 181.42 2grn h GLU 132 N 0.53 -0.76 -0.78 0.00 4.57 -1.97 -1.17 114.58 115.00 2grn h GLU 132 Ca -0.01 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2grn h GLU 132 Cb 1.21 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.94 2grn h GLU 132 CO 0.13 -0.51 0.40 0.00 -1.18 0.00 0.00 179.01 177.85 2grn h ALA 133 N -1.17 1.24 -0.14 2.92 0.00 -1.86 -2.65 119.26 117.60 2grn h ALA 133 Ca -0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2grn h ALA 133 Cb 0.67 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2grn h ALA 133 CO -0.02 0.60 0.08 -0.92 0.00 0.00 0.00 179.25 178.99 2grn h TYR 134 N 1.10 0.19 -0.27 0.00 3.20 -1.56 -0.99 116.97 118.63 2grn h TYR 134 Ca 0.27 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.16 2grn h TYR 134 Cb 0.07 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2grn h TYR 134 CO 0.01 0.19 0.11 1.15 -1.64 0.00 0.00 178.16 177.98 2grn h THR 135 N 0.13 0.95 -0.38 1.81 2.02 -1.02 -1.45 112.91 114.97 2grn h THR 135 Ca 0.05 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 2grn h THR 135 Cb 0.06 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2grn h THR 135 CO -0.01 0.04 0.04 0.40 0.37 0.00 0.00 175.52 176.36 2grn h ILE 136 N 0.24 1.25 -0.73 3.11 2.04 -1.42 -0.41 117.51 121.58 2grn h ILE 136 Ca 0.12 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.13 2grn h ILE 136 Cb 0.07 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 2grn h ILE 136 CO -0.11 0.31 0.41 0.22 0.00 0.00 0.00 178.15 178.98 2grn h TYR 137 N 0.48 0.75 0.01 1.37 3.20 -0.96 0.35 116.97 122.18 2grn h TYR 137 Ca 0.11 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.81 2grn h TYR 137 Cb 0.41 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2grn h TYR 137 CO 0.03 0.34 -0.91 0.00 -1.64 0.00 0.00 178.16 175.98 2grn n GLN 139 N -3.55 0.64 -3.05 0.00 6.02 -0.18 -4.80 117.38 112.46 2grn n GLN 139 Ca -0.02 0.09 -0.06 0.00 -0.01 0.00 0.00 57.00 56.99 2grn n GLN 139 Cb 0.84 -1.71 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 2grn n GLN 139 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2grn s ASN 140 N -5.43 -0.83 0.28 1.08 3.84 0.09 -5.02 114.94 108.94 2grn s ASN 140 Ca -0.05 -1.54 0.01 0.00 0.21 0.00 0.00 52.86 51.48 2grn s ASN 140 Cb 0.09 1.50 0.52 0.00 -0.55 0.00 0.00 41.25 42.82 2grn s ASN 140 CO 0.83 -0.13 1.84 -0.09 -2.79 0.00 0.00 177.10 176.77 2grn h ARG 141 N 5.99 1.00 -0.76 0.43 9.65 -1.69 -0.23 114.38 128.77 2grn h ARG 141 Ca 0.08 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2grn h ARG 141 Cb 1.10 -0.23 -0.04 0.00 -1.39 0.00 0.00 29.97 29.42 2grn h ARG 141 CO 0.10 0.66 0.38 0.28 2.80 0.00 0.00 179.97 184.20 2grn h VAL 142 N 1.03 1.24 -0.53 0.20 2.07 -1.93 -0.56 116.25 117.79 2grn h VAL 142 Ca 0.49 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 2grn h VAL 142 Cb 0.43 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2grn h VAL 142 CO -0.25 0.28 -0.14 -0.08 0.02 0.00 0.00 177.57 177.40 2grn h GLU 143 N 1.07 1.02 -0.04 1.57 4.57 -1.62 -1.50 114.58 119.64 2grn h GLU 143 Ca 0.26 -0.40 0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2grn h GLU 143 Cb 0.09 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2grn h GLU 143 CO -0.04 1.08 -0.01 -0.92 -1.18 0.00 0.00 179.01 177.95 2grn h TYR 144 N 0.90 -0.02 -0.43 0.92 3.20 -0.63 -1.08 116.97 119.82 2grn h TYR 144 Ca 0.13 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 2grn h TYR 144 Cb 0.72 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 2grn h TYR 144 CO 0.05 -0.02 0.16 0.93 -1.64 0.00 0.00 178.16 177.64 2grn h GLU 145 N 0.00 0.62 -0.62 1.82 4.39 -0.99 -0.44 114.58 119.36 2grn h GLU 145 Ca 0.02 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2grn h GLU 145 Cb 0.03 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2grn h GLU 145 CO -0.04 0.53 0.29 -0.22 -1.16 0.00 0.00 179.01 178.40 2grn h LYS 146 N 0.61 0.90 -0.28 2.33 3.64 -0.70 0.07 116.57 123.14 2grn h LYS 146 Ca 0.15 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 2grn h LYS 146 Cb 0.15 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2grn h LYS 146 CO -0.01 0.73 -0.33 0.00 -2.27 0.00 0.00 179.45 177.57 2grn h ARG 147 N 0.86 0.61 -0.46 1.90 3.08 -0.58 -2.07 114.38 117.71 2grn h ARG 147 Ca 0.21 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2grn h ARG 147 Cb 0.14 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2grn h ARG 147 CO -0.02 0.86 0.06 0.28 -1.07 0.00 0.00 179.97 180.07 2grn h VAL 148 N 0.52 1.25 -0.58 2.04 2.07 -0.59 -1.52 116.25 119.44 2grn h VAL 148 Ca 0.06 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 2grn h VAL 148 Cb 0.82 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2grn h VAL 148 CO 0.07 0.33 0.19 0.03 0.02 0.00 0.00 177.57 178.21 2grn h ARG 149 N 0.64 0.89 -0.81 1.57 3.08 -0.88 -0.50 114.38 118.38 2grn h ARG 149 Ca 0.14 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2grn h ARG 149 Cb 0.42 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2grn h ARG 149 CO 0.01 0.80 0.42 0.00 -1.07 0.00 0.00 179.97 180.13 2grn h ALA 150 N 1.06 1.21 -0.27 0.04 0.00 -1.24 -0.59 119.26 119.47 2grn h ALA 150 Ca 0.19 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2grn h ALA 150 Cb 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2grn h ALA 150 CO -0.01 0.62 -0.42 0.37 0.00 0.00 0.00 179.25 179.82 2grn h GLN 151 N 1.15 0.66 -0.44 0.00 4.15 -0.94 -0.99 115.11 118.70 2grn h GLN 151 Ca 0.28 -0.35 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 2grn h GLN 151 Cb 0.07 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2grn h GLN 151 CO -0.04 0.96 0.03 0.00 -1.93 0.00 0.00 178.83 177.84 2grn h ALA 152 N 0.99 0.59 -0.24 3.38 0.00 -0.55 -1.86 119.26 121.57 2grn h ALA 152 Ca 0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2grn h ALA 152 Cb 0.95 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2grn h ALA 152 CO 0.09 0.35 -0.34 -0.22 0.00 0.00 0.00 179.25 179.13 2grn h LYS 153 N 0.60 0.52 -0.35 0.00 3.64 -1.05 -2.72 116.57 117.21 2grn h LYS 153 Ca 0.13 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2grn h LYS 153 Cb 0.45 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2grn h LYS 153 CO 0.02 0.79 0.01 -0.22 -2.27 0.00 0.00 179.45 177.78 2grn h LYS 154 N 0.44 0.54 -0.78 1.90 3.64 -0.90 -2.71 116.57 118.70 2grn h LYS 154 Ca 0.05 -0.11 -0.31 0.00 -1.27 0.00 0.00 60.65 59.01 2grn h LYS 154 Cb 0.80 -0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 32.35 2grn h LYS 154 CO 0.06 0.56 0.37 1.19 -2.27 0.00 0.00 179.45 179.36 2grn n PHE 155 N -4.29 2.51 -2.22 1.91 3.72 -0.72 -4.98 117.46 113.40 2grn n PHE 155 Ca 0.02 -1.45 -0.41 0.00 -0.05 0.00 0.00 57.45 55.55 2grn n PHE 155 Cb 0.24 -0.75 -0.03 0.00 -0.94 0.00 0.00 39.48 38.00 2grn n PHE 155 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2grn s ALA 156 N -3.12 3.51 -0.10 4.37 0.00 -1.02 -1.03 121.76 124.36 2grn s ALA 156 Ca 0.55 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2grn s ALA 156 Cb 0.45 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2grn s ALA 156 CO 0.11 -0.52 0.03 -2.30 0.00 0.00 0.00 175.76 173.08