#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gpy h GLU 6 N 0.00 0.77 0.56 3.49 3.07 -2.05 0.22 114.58 120.65 2gpy h GLU 6 Ca 0.00 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 2gpy h GLU 6 Cb 0.00 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 2gpy h GLU 6 CO 0.00 0.51 -0.36 0.00 -1.40 0.00 0.00 179.01 177.76 2gpy h ARG 7 N 0.79 -0.85 -0.59 2.33 3.08 -2.05 0.07 114.38 117.16 2gpy h ARG 7 Ca 0.54 0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.67 2gpy h ARG 7 Cb 0.80 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 2gpy h ARG 7 CO -0.32 -0.57 0.36 1.25 -1.07 0.00 0.00 179.97 179.62 2gpy h LEU 8 N -0.88 0.59 -0.75 3.04 5.85 -1.72 -2.12 115.31 119.32 2gpy h LEU 8 Ca -0.07 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 2gpy h LEU 8 Cb 0.72 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2gpy h LEU 8 CO 0.06 0.41 -0.01 0.07 -0.34 0.00 0.00 178.44 178.63 2gpy h LYS 9 N 0.71 0.94 -0.39 1.25 2.10 -0.91 -0.10 116.57 120.17 2gpy h LYS 9 Ca 0.24 -0.28 0.03 0.00 -2.00 0.00 0.00 60.65 58.64 2gpy h LYS 9 Cb 0.02 -0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 31.22 2gpy h LYS 9 CO -0.10 0.94 0.18 1.25 -2.00 0.00 0.00 179.45 179.71 2gpy h HIS 10 N 0.87 0.32 0.13 0.07 2.76 -0.68 0.28 115.15 118.90 2gpy h HIS 10 Ca 0.16 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2gpy h HIS 10 Cb 0.52 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 2gpy h HIS 10 CO 0.03 0.16 -0.07 -0.92 -1.30 0.00 0.00 177.93 175.83 2gpy h TYR 11 N 0.36 -0.18 -0.14 5.26 3.20 -0.95 -2.49 116.97 122.03 2gpy h TYR 11 Ca 0.17 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 2gpy h TYR 11 Cb 0.10 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2gpy h TYR 11 CO -0.11 -0.11 -0.45 -0.07 -1.64 0.00 0.00 178.16 175.77 2gpy h LEU 12 N -0.19 0.36 -0.84 2.82 3.38 -0.76 -3.01 115.31 117.07 2gpy h LEU 12 Ca -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2gpy h LEU 12 Cb 0.15 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2gpy h LEU 12 CO 0.02 0.76 -0.07 -0.33 0.09 0.00 0.00 178.44 178.91 2gpy h GLU 13 N 0.27 0.00 -0.48 1.13 5.08 -0.39 -2.77 114.58 117.42 2gpy h GLU 13 Ca 0.02 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2gpy h GLU 13 Cb 0.90 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2gpy h GLU 13 CO 0.07 0.07 0.32 0.87 -1.00 0.00 0.00 179.01 179.35 2gpy h LYS 14 N 0.00 0.39 0.00 2.33 1.57 -1.30 -3.07 116.57 116.49 2gpy h LYS 14 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2gpy h LYS 14 Cb 0.77 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2gpy h LYS 14 CO 0.01 0.26 0.00 1.04 -0.57 0.00 0.00 179.45 180.19 2gpy n GLN 15 N -4.47 0.40 -2.72 3.15 1.13 -1.04 -4.77 117.38 109.06 2gpy n GLN 15 Ca 0.06 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.71 2gpy n GLN 15 Cb 0.25 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 2gpy n GLN 15 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2gpy s ILE 16 N -2.58 4.50 0.75 5.09 1.01 -1.16 -5.04 121.20 123.76 2gpy s ILE 16 Ca 0.27 1.38 -0.11 0.00 0.00 0.00 0.00 60.65 62.19 2gpy s ILE 16 Cb 0.19 -4.41 0.04 0.00 0.01 0.00 0.00 42.46 38.30 2gpy s ILE 16 CO 0.44 -0.60 1.08 -2.84 0.00 0.00 0.00 174.94 173.03 2gpy s PRO 17 N 3.70 2.46 0.41 2.79 0.02 -1.26 -5.00 135.00 138.12 2gpy s PRO 17 Ca 0.42 0.80 -0.26 0.00 0.02 0.00 0.00 61.00 61.99 2gpy s PRO 17 Cb -0.11 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 2gpy s PRO 17 CO 0.20 -1.40 1.32 0.00 -0.33 0.00 0.00 177.00 176.79 2gpy s ALA 18 N -3.09 3.26 0.54 -1.55 0.00 -1.26 -5.04 121.76 114.62 2gpy s ALA 18 Ca 0.60 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.79 2gpy s ALA 18 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2gpy s ALA 18 CO 0.55 -0.88 0.83 1.03 0.00 0.00 0.00 175.76 177.28 2gpy s ARG 19 N -2.27 3.00 0.09 0.00 3.00 -1.26 -5.05 118.95 116.47 2gpy s ARG 19 Ca 0.57 -0.13 -0.30 0.00 0.00 0.00 0.00 55.73 55.87 2gpy s ARG 19 Cb -0.39 -2.36 -0.17 0.00 0.00 0.00 0.00 34.95 32.03 2gpy s ARG 19 CO 0.50 -0.55 0.70 -3.47 0.00 0.00 0.00 175.30 172.49 2gpy n ASP 20 N -2.42 -0.59 -0.32 0.23 -0.08 -1.26 -4.70 116.55 107.41 2gpy n ASP 20 Ca 0.03 1.03 0.23 0.00 -1.51 0.00 0.00 54.79 54.57 2gpy n ASP 20 Cb 0.57 -0.84 0.51 0.00 2.34 0.00 0.00 41.12 43.71 2gpy n ASP 20 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2gpy h GLN 21 N 1.76 0.37 -0.38 -0.67 1.08 -1.99 -0.20 115.11 115.07 2gpy h GLN 21 Ca -0.35 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 56.69 2gpy h GLN 21 Cb 1.29 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2gpy h GLN 21 CO 0.55 0.24 -0.30 -0.92 -0.95 0.00 0.00 178.83 177.45 2gpy h TYR 22 N 0.38 0.97 -0.42 2.96 3.20 -2.00 -1.57 116.97 120.50 2gpy h TYR 22 Ca 0.60 -0.26 -0.14 0.00 3.14 0.00 0.00 58.73 62.07 2gpy h TYR 22 Cb 1.54 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 2gpy h TYR 22 CO -0.00 1.03 -0.28 0.82 -1.64 0.00 0.00 178.16 178.08 2gpy h ILE 23 N 0.71 1.27 -0.31 1.81 2.04 -1.43 -3.05 117.51 118.55 2gpy h ILE 23 Ca 0.08 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 2gpy h ILE 23 Cb 0.85 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2gpy h ILE 23 CO 0.07 0.49 -0.13 -0.33 0.00 0.00 0.00 178.15 178.26 2gpy h GLU 24 N 0.78 0.52 -1.79 2.37 5.08 -1.02 -1.79 114.58 118.73 2gpy h GLU 24 Ca 0.09 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2gpy h GLU 24 Cb 0.85 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2gpy h GLU 24 CO 0.08 0.64 0.00 0.94 -1.00 0.00 0.00 179.01 179.67 2gpy n GLN 25 N -4.20 0.35 0.00 2.33 -0.06 -0.61 -2.20 117.38 113.00 2gpy n GLN 25 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 2gpy n GLN 25 Cb 0.33 -1.32 0.00 0.00 -4.06 0.00 0.00 30.24 25.19 2gpy n GLN 25 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2gpy n GLU 27 N 1.22 0.00 -0.16 3.69 1.02 -0.68 -0.82 120.64 124.92 2gpy n GLU 27 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2gpy n GLU 27 Cb 0.18 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.59 2gpy n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gpy h ARG 28 N 0.00 0.92 -0.71 3.49 3.08 -1.73 -2.45 114.38 116.97 2gpy h ARG 28 Ca 0.00 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 59.72 2gpy h ARG 28 Cb 0.00 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 2gpy h ARG 28 CO 0.00 1.02 0.44 1.49 -1.07 0.00 0.00 179.97 181.85 2gpy h GLU 29 N 0.76 0.84 -0.67 0.04 4.81 -1.27 -0.23 114.58 118.85 2gpy h GLU 29 Ca 0.12 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2gpy h GLU 29 Cb 0.69 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 2gpy h GLU 29 CO 0.05 0.55 0.28 0.00 -0.73 0.00 0.00 179.01 179.16 2gpy h ALA 30 N 1.31 0.88 -0.05 2.92 0.00 -1.79 0.19 119.26 122.71 2gpy h ALA 30 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2gpy h ALA 30 Cb 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2gpy h ALA 30 CO -0.12 0.48 -0.00 1.25 0.00 0.00 0.00 179.25 180.87 2gpy h HIS 31 N 0.95 0.10 -0.73 0.00 -0.00 -1.17 0.42 115.15 114.72 2gpy h HIS 31 Ca 0.23 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.65 2gpy h HIS 31 Cb 0.19 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.51 2gpy h HIS 31 CO 0.01 0.38 0.40 0.93 -0.00 0.00 0.00 177.93 179.65 2gpy h GLU 32 N -0.21 0.69 -0.60 5.26 5.08 -0.88 -2.62 114.58 121.31 2gpy h GLU 32 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2gpy h GLU 32 Cb 0.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2gpy h GLU 32 CO 0.00 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 2gpy n GLN 33 N -4.78 2.75 -3.97 2.33 6.02 0.63 -4.93 117.38 115.43 2gpy n GLN 33 Ca 0.10 -2.15 -0.29 0.00 -0.01 0.00 0.00 57.00 54.66 2gpy n GLN 33 Cb 0.22 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.87 2gpy n GLN 33 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2gpy n GLN 34 N 0.99 -4.30 -3.44 -1.09 6.02 -0.62 -4.96 117.38 109.99 2gpy n GLN 34 Ca 0.20 0.50 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 2gpy n GLN 34 Cb 0.61 -5.11 -0.10 0.00 1.02 0.00 0.00 30.24 26.66 2gpy n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2gpy s VAL 35 N -3.51 5.22 0.30 5.09 1.01 0.14 -5.03 120.40 123.62 2gpy s VAL 35 Ca 0.42 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2gpy s VAL 35 Cb -0.22 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.13 2gpy s VAL 35 CO 0.87 -0.27 1.44 -2.65 0.00 0.00 0.00 175.10 174.49 2gpy n PRO 36 N 5.25 2.35 0.00 2.72 -0.02 -1.26 -4.43 135.00 139.60 2gpy n PRO 36 Ca -0.10 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2gpy n PRO 36 Cb 0.48 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2gpy n PRO 36 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2gpy n ILE 37 N 1.37 0.00 -4.15 4.25 -5.35 -1.26 -4.96 119.36 109.26 2gpy n ILE 37 Ca 0.07 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.28 2gpy n ILE 37 Cb 0.35 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.18 2gpy n ILE 37 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2gpy s ASP 39 N 1.00 5.00 0.29 7.28 -4.77 -1.26 -5.16 116.67 119.04 2gpy s ASP 39 Ca 0.00 -0.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 2gpy s ASP 39 Cb 0.00 -1.16 0.52 0.00 -1.09 0.00 0.00 42.92 41.19 2gpy s ASP 39 CO 0.00 0.12 1.87 -0.07 0.70 0.00 0.00 175.17 177.79 2gpy h LEU 40 N 2.94 0.95 -0.17 2.11 3.38 -2.05 -2.33 115.31 120.14 2gpy h LEU 40 Ca -0.47 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2gpy h LEU 40 Cb 1.19 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2gpy h LEU 40 CO 0.60 0.56 -0.18 0.25 0.09 0.00 0.00 178.44 179.75 2gpy h LEU 41 N 1.05 0.45 -1.33 1.67 5.85 -1.97 -1.66 115.31 119.36 2gpy h LEU 41 Ca 0.45 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2gpy h LEU 41 Cb 0.34 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2gpy h LEU 41 CO -0.21 0.85 0.00 0.61 -0.34 0.00 0.00 178.44 179.35 2gpy n GLY 42 N 0.22 0.00 0.67 3.75 0.00 -0.88 -1.42 105.19 107.52 2gpy n GLY 42 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2gpy n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gpy n GLU 44 N 0.60 0.00 -0.02 1.61 -0.58 -0.63 -1.22 120.64 120.41 2gpy n GLU 44 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2gpy n GLU 44 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 2gpy n GLU 44 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2gpy h SER 45 N 0.00 0.15 -0.42 1.62 0.02 -1.52 -1.48 113.55 111.93 2gpy h SER 45 Ca 0.00 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2gpy h SER 45 Cb 0.00 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2gpy h SER 45 CO 0.00 0.14 0.25 0.25 -1.14 0.00 0.00 176.83 176.33 2gpy h LEU 46 N 0.15 0.40 -0.53 5.07 5.85 -1.43 -0.99 115.31 123.83 2gpy h LEU 46 Ca 0.05 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2gpy h LEU 46 Cb 0.01 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2gpy h LEU 46 CO -0.01 0.29 0.21 -0.07 -0.34 0.00 0.00 178.44 178.52 2gpy h LEU 47 N 0.50 0.24 -0.63 2.25 4.07 -1.78 -1.22 115.31 118.74 2gpy h LEU 47 Ca 0.17 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 58.15 2gpy h LEU 47 Cb 0.00 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 2gpy h LEU 47 CO -0.07 0.16 0.25 -0.74 -1.08 0.00 0.00 178.44 176.95 2gpy h HIS 48 N 0.40 0.96 -0.92 1.13 2.76 -0.66 -0.14 115.15 118.69 2gpy h HIS 48 Ca 0.26 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2gpy h HIS 48 Cb 0.26 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 2gpy h HIS 48 CO -0.15 0.76 0.56 -0.07 -1.30 0.00 0.00 177.93 177.73 2gpy h LEU 49 N 0.88 1.09 -0.42 0.26 3.38 -0.78 -2.71 115.31 117.01 2gpy h LEU 49 Ca 0.21 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2gpy h LEU 49 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2gpy h LEU 49 CO -0.02 0.83 -0.03 -0.07 0.09 0.00 0.00 178.44 179.24 2gpy h LEU 50 N 1.26 0.75 -2.23 1.67 3.38 -0.69 -2.44 115.31 117.00 2gpy h LEU 50 Ca 0.33 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2gpy h LEU 50 Cb -0.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2gpy h LEU 50 CO -0.06 0.89 0.00 0.29 0.09 0.00 0.00 178.44 179.65 2gpy n LYS 51 N -4.39 0.00 0.00 1.13 5.02 -0.11 -1.59 118.16 118.22 2gpy n LYS 51 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2gpy n LYS 51 Cb 0.31 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2gpy n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gpy n ALA 53 N 1.03 0.00 -3.65 7.82 0.00 -0.92 -4.84 120.51 119.95 2gpy n ALA 53 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2gpy n ALA 53 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2gpy n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gpy n ALA 54 N 0.00 -2.35 -1.82 0.00 0.00 -0.62 -4.96 120.51 110.76 2gpy n ALA 54 Ca 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 2gpy n ALA 54 Cb 0.00 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 15.82 2gpy n ALA 54 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2gpy s PRO 55 N -5.81 4.19 -0.10 0.00 0.04 -1.26 -4.97 135.00 127.09 2gpy s PRO 55 Ca 0.31 1.15 0.11 0.00 0.04 0.00 0.00 61.00 62.60 2gpy s PRO 55 Cb -0.09 -2.17 -0.24 0.00 0.04 0.00 0.00 34.50 32.04 2gpy s PRO 55 CO 0.83 -0.07 0.46 0.00 0.04 0.00 0.00 177.00 178.26 2gpy n ALA 56 N -0.67 1.41 -3.71 8.56 0.00 -1.26 -4.53 120.51 120.32 2gpy n ALA 56 Ca 0.07 -0.88 -0.21 0.00 0.00 0.00 0.00 53.44 52.42 2gpy n ALA 56 Cb 0.54 -0.65 -0.17 0.00 0.00 0.00 0.00 19.45 19.17 2gpy n ALA 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gpy s ARG 57 N -2.57 0.65 -0.06 0.00 0.52 -1.26 -0.42 118.95 115.82 2gpy s ARG 57 Ca -0.09 0.02 0.05 0.00 -0.52 0.00 0.00 55.73 55.19 2gpy s ARG 57 Cb 0.07 -0.85 -0.01 0.00 0.52 0.00 0.00 34.95 34.69 2gpy s ARG 57 CO 0.81 -0.19 -0.23 0.42 0.02 0.00 0.00 175.30 176.13 2gpy s ILE 58 N 1.42 1.89 -0.16 1.52 1.01 -0.23 -0.61 121.20 126.05 2gpy s ILE 58 Ca -0.03 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 2gpy s ILE 58 Cb -0.13 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 2gpy s ILE 58 CO -0.03 0.53 -0.09 -0.22 0.00 0.00 0.00 174.94 175.13 2gpy s LEU 59 N -0.05 2.84 -0.06 2.97 2.96 -0.14 -0.50 118.68 126.70 2gpy s LEU 59 Ca -0.05 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 2gpy s LEU 59 Cb -0.14 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 2gpy s LEU 59 CO 0.04 0.12 -0.25 -0.70 -1.32 0.00 0.00 176.35 174.24 2gpy s GLU 60 N 0.65 2.54 -0.27 1.98 2.12 0.52 -0.45 118.70 125.77 2gpy s GLU 60 Ca -0.05 -0.90 -0.07 0.00 0.36 0.00 0.00 54.97 54.30 2gpy s GLU 60 Cb -0.15 -2.15 -0.01 0.00 0.26 0.00 0.00 34.13 32.08 2gpy s GLU 60 CO 0.03 0.38 0.08 0.42 -0.54 0.00 0.00 175.26 175.63 2gpy s ILE 61 N -0.15 4.22 0.00 -3.70 -1.09 -0.14 -1.16 121.20 119.18 2gpy s ILE 61 Ca -0.04 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 2gpy s ILE 61 Cb -0.14 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 2gpy s ILE 61 CO 0.04 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 2gpy n GLY 62 N 4.91 0.77 0.35 6.18 0.00 0.23 -4.41 105.19 113.22 2gpy n GLY 62 Ca -0.15 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 2gpy n GLY 62 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gpy h THR 63 N 0.00 1.21 0.00 2.61 2.02 -1.59 -3.48 112.91 113.68 2gpy h THR 63 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2gpy h THR 63 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 2gpy h THR 63 CO 0.00 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.11 2gpy n ALA 64 N -2.41 0.00 -0.04 6.16 0.00 -1.26 -1.10 120.51 121.86 2gpy n ALA 64 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.60 2gpy n ALA 64 Cb 0.05 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.76 2gpy n ALA 64 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2gpy n ILE 65 N 0.00 1.31 -0.61 0.00 -5.35 -1.26 -4.40 119.36 109.05 2gpy n ILE 65 Ca 0.00 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 2gpy n ILE 65 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 2gpy n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gpy n GLY 66 N 0.97 0.74 0.20 3.28 0.00 -0.26 -3.96 105.19 106.17 2gpy n GLY 66 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 2gpy n GLY 66 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gpy h TYR 67 N 0.00 -0.41 -0.17 1.61 3.20 -1.91 -0.59 116.97 118.70 2gpy h TYR 67 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2gpy h TYR 67 Cb 0.00 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2gpy h TYR 67 CO 0.00 -0.24 0.11 1.03 -1.64 0.00 0.00 178.16 177.42 2gpy h SER 68 N -0.29 0.20 -0.61 -2.11 0.87 -1.94 -0.31 113.55 109.36 2gpy h SER 68 Ca 0.04 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2gpy h SER 68 Cb 0.33 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 2gpy h SER 68 CO -0.12 0.16 0.34 0.00 -0.53 0.00 0.00 176.83 176.69 2gpy h ALA 69 N 1.05 0.79 -0.11 6.23 0.00 -1.84 -2.93 119.26 122.43 2gpy h ALA 69 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2gpy h ALA 69 Cb -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2gpy h ALA 69 CO -0.01 0.30 -0.00 0.82 0.00 0.00 0.00 179.25 180.35 2gpy h ILE 70 N 0.83 1.26 0.00 0.00 2.04 -0.94 -0.93 117.51 119.78 2gpy h ILE 70 Ca 0.22 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2gpy h ILE 70 Cb 0.03 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2gpy h ILE 70 CO -0.04 0.24 0.00 0.54 0.00 0.00 0.00 178.15 178.89 2gpy n ARG 71 N -4.79 0.00 0.00 2.37 5.12 -0.14 -1.24 116.66 117.98 2gpy n ARG 71 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 2gpy n ARG 71 Cb 0.21 -0.91 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 2gpy n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2gpy n ALA 73 N 0.42 0.00 0.06 7.54 0.00 -0.35 -1.48 120.51 126.70 2gpy n ALA 73 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2gpy n ALA 73 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2gpy n ALA 73 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2gpy h GLN 74 N 0.00 0.35 0.00 0.00 4.20 -1.43 -3.15 115.11 115.08 2gpy h GLN 74 Ca 0.00 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 2gpy h GLN 74 Cb 0.00 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2gpy h GLN 74 CO 0.00 0.86 -0.31 0.00 -0.67 0.00 0.00 178.83 178.72 2gpy h ALA 75 N 1.07 0.86 -2.65 3.87 0.00 -1.51 -3.37 119.26 117.54 2gpy h ALA 75 Ca -0.01 -0.28 -0.60 0.00 0.00 0.00 0.00 54.91 54.02 2gpy h ALA 75 Cb 1.16 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 2gpy h ALA 75 CO 0.10 0.39 -0.75 1.28 0.00 0.00 0.00 179.25 180.27 2gpy n LEU 76 N -3.27 1.74 0.25 0.00 4.77 -1.19 -4.97 117.00 114.33 2gpy n LEU 76 Ca 0.02 -4.93 0.17 0.00 -0.03 0.00 0.00 56.01 51.24 2gpy n LEU 76 Cb 0.58 -0.20 0.85 0.00 -2.33 0.00 0.00 43.42 42.31 2gpy n LEU 76 CO 0.36 1.86 1.01 1.55 -1.33 0.00 0.00 177.39 180.84 2gpy h PRO 77 N 5.19 0.00 -0.53 3.23 0.13 -1.73 -1.79 132.00 136.50 2gpy h PRO 77 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2gpy h PRO 77 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2gpy h PRO 77 CO 0.60 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.76 2gpy n GLU 78 N -2.73 2.64 -3.28 0.86 -0.58 -1.26 -4.98 120.64 111.31 2gpy n GLU 78 Ca -0.01 -2.35 -0.28 0.00 -0.42 0.00 0.00 57.16 54.09 2gpy n GLU 78 Cb 0.12 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 2gpy n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gpy s ALA 79 N -1.08 3.60 -0.01 0.62 0.00 -0.67 -4.83 121.76 119.39 2gpy s ALA 79 Ca 0.38 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.83 2gpy s ALA 79 Cb 0.20 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 2gpy s ALA 79 CO 0.27 0.18 -0.19 0.95 0.00 0.00 0.00 175.76 176.96 2gpy s THR 80 N -2.15 2.66 -0.09 0.00 -4.23 0.44 -4.93 115.64 107.34 2gpy s THR 80 Ca 0.44 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 2gpy s THR 80 Cb -0.11 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 2gpy s THR 80 CO 0.31 0.49 -0.13 -0.63 -0.54 0.00 0.00 174.62 174.13 2gpy s ILE 81 N -0.77 3.13 -0.17 2.99 -1.09 0.92 -1.07 121.20 125.14 2gpy s ILE 81 Ca 0.12 -0.66 -0.02 0.00 -2.23 0.00 0.00 60.65 57.86 2gpy s ILE 81 Cb -0.10 -2.28 -0.01 0.00 -1.58 0.00 0.00 42.46 38.49 2gpy s ILE 81 CO 0.02 0.56 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.49 2gpy s VAL 82 N -0.21 3.07 -0.05 2.92 1.01 0.34 -0.21 120.40 127.27 2gpy s VAL 82 Ca 0.01 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2gpy s VAL 82 Cb -0.13 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2gpy s VAL 82 CO 0.03 0.49 -0.15 -0.55 0.00 0.00 0.00 175.10 174.92 2gpy s SER 83 N 0.91 1.93 -0.18 3.32 0.15 0.16 -0.36 113.70 119.64 2gpy s SER 83 Ca -0.02 -0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.25 2gpy s SER 83 Cb -0.15 -0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 63.44 2gpy s SER 83 CO -0.00 0.10 0.03 -0.63 1.20 0.00 0.00 173.24 173.93 2gpy s ILE 84 N 0.31 4.39 -0.08 6.45 1.01 -0.31 -0.27 121.20 132.70 2gpy s ILE 84 Ca -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2gpy s ILE 84 Cb -0.13 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.39 2gpy s ILE 84 CO 0.03 0.45 -0.03 -0.70 0.00 0.00 0.00 174.94 174.69 2gpy s GLU 85 N 0.56 0.96 0.12 2.79 2.56 -0.14 0.74 118.70 126.28 2gpy s GLU 85 Ca 0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 54.97 54.78 2gpy s GLU 85 Cb -0.13 -1.15 -0.05 0.00 2.00 0.00 0.00 34.13 34.80 2gpy s GLU 85 CO 0.02 -0.24 1.48 0.07 -0.56 0.00 0.00 175.26 176.02 2gpy h ARG 86 N 8.03 0.75 -5.89 4.30 -0.00 -1.81 -3.37 114.38 116.39 2gpy h ARG 86 Ca -0.26 -0.34 -0.67 0.00 -0.00 0.00 0.00 59.98 58.70 2gpy h ARG 86 Cb 1.13 -0.01 -0.12 0.00 -0.00 0.00 0.00 29.97 30.97 2gpy h ARG 86 CO 0.35 0.96 -0.58 0.34 -0.00 0.00 0.00 179.97 181.04 2gpy s ASP 87 N -6.49 5.63 0.13 0.08 2.15 -1.26 -4.61 116.67 112.29 2gpy s ASP 87 Ca -0.12 0.23 -0.15 0.00 0.43 0.00 0.00 52.55 52.94 2gpy s ASP 87 Cb 0.10 -1.66 -0.02 0.00 -0.30 0.00 0.00 42.92 41.04 2gpy s ASP 87 CO 0.83 0.37 1.59 -0.08 -0.17 0.00 0.00 175.17 177.71 2gpy h GLU 88 N 4.90 0.69 -0.40 4.34 4.81 -1.96 0.95 114.58 127.91 2gpy h GLU 88 Ca -0.52 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.50 2gpy h GLU 88 Cb 1.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2gpy h GLU 88 CO 0.57 0.75 0.17 -0.09 -0.73 0.00 0.00 179.01 179.68 2gpy h ARG 89 N 0.53 0.59 -0.20 1.92 2.43 -1.97 4.14 114.38 121.81 2gpy h ARG 89 Ca 0.12 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2gpy h ARG 89 Cb 0.41 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2gpy h ARG 89 CO 0.01 0.54 -0.26 0.00 -1.51 0.00 0.00 179.97 178.75 2gpy h ARG 90 N 0.50 0.53 -0.33 0.20 2.47 -1.86 -2.03 114.38 113.86 2gpy h ARG 90 Ca 0.13 -0.30 0.03 0.00 -1.26 0.00 0.00 59.98 58.58 2gpy h ARG 90 Cb 0.17 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 2gpy h ARG 90 CO -0.01 0.90 0.14 -0.92 0.56 0.00 0.00 179.97 180.64 2gpy h TYR 91 N 0.20 0.26 -0.22 3.04 3.20 0.14 -0.08 116.97 123.51 2gpy h TYR 91 Ca 0.02 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2gpy h TYR 91 Cb 0.83 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 2gpy h TYR 91 CO 0.08 0.13 0.06 1.49 -1.64 0.00 0.00 178.16 178.29 2gpy h GLU 92 N 0.30 0.16 -0.08 1.82 4.57 0.81 -0.16 114.58 122.00 2gpy h GLU 92 Ca 0.14 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 2gpy h GLU 92 Cb 0.08 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2gpy h GLU 92 CO -0.12 0.10 -0.33 1.49 -1.18 0.00 0.00 179.01 178.97 2gpy h GLU 93 N 0.16 0.15 -0.28 1.92 4.57 -1.09 -2.38 114.58 117.63 2gpy h GLU 93 Ca 0.10 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2gpy h GLU 93 Cb 0.07 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2gpy h GLU 93 CO -0.11 0.47 0.14 0.00 -1.18 0.00 0.00 179.01 178.33 2gpy h ALA 94 N 1.53 0.36 -0.39 2.92 0.00 -0.59 -1.82 119.26 121.28 2gpy h ALA 94 Ca 0.02 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2gpy h ALA 94 Cb 0.65 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2gpy h ALA 94 CO 0.05 -0.08 0.12 1.25 0.00 0.00 0.00 179.25 180.59 2gpy h HIS 95 N 0.32 0.21 -0.59 0.00 -0.00 -0.80 -0.63 115.15 113.66 2gpy h HIS 95 Ca 0.10 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.40 2gpy h HIS 95 Cb 0.11 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 2gpy h HIS 95 CO -0.02 0.07 0.03 0.87 -0.00 0.00 0.00 177.93 178.88 2gpy h LYS 96 N 0.27 1.01 -0.44 5.26 1.57 -1.35 -0.81 116.57 122.08 2gpy h LYS 96 Ca 0.18 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2gpy h LYS 96 Cb 0.18 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2gpy h LYS 96 CO -0.20 0.97 0.09 0.45 -0.57 0.00 0.00 179.45 180.19 2gpy h HIS 97 N 0.93 0.76 -0.02 -1.35 3.86 -1.03 0.15 115.15 118.45 2gpy h HIS 97 Ca 0.18 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2gpy h HIS 97 Cb 0.50 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 2gpy h HIS 97 CO 0.03 0.71 -0.06 0.28 0.86 0.00 0.00 177.93 179.75 2gpy h VAL 98 N 0.58 0.85 -0.83 2.45 2.07 -0.95 -2.79 116.25 117.62 2gpy h VAL 98 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 2gpy h VAL 98 Cb 0.34 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2gpy h VAL 98 CO 0.00 0.00 0.55 0.11 0.02 0.00 0.00 177.57 178.26 2gpy h LYS 99 N -0.09 1.09 -0.73 1.57 1.57 -1.01 -1.08 116.57 117.89 2gpy h LYS 99 Ca 0.03 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2gpy h LYS 99 Cb 0.13 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2gpy h LYS 99 CO -0.07 0.72 0.48 0.00 -0.57 0.00 0.00 179.45 180.00 2gpy h ALA 100 N 1.48 1.62 -0.42 3.86 0.00 -0.45 -1.67 119.26 123.69 2gpy h ALA 100 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2gpy h ALA 100 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2gpy h ALA 100 CO -0.07 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.75 2gpy n LEU 101 N -4.46 2.86 -1.69 0.00 4.77 -1.02 -4.94 117.00 112.52 2gpy n LEU 101 Ca 0.10 -1.32 -0.14 0.00 -0.03 0.00 0.00 56.01 54.62 2gpy n LEU 101 Cb 0.16 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2gpy n LEU 101 CO 0.34 0.66 -0.13 0.61 -1.33 0.00 0.00 177.39 177.55 2gpy n GLY 102 N 1.37 -0.17 1.17 -0.72 0.00 -0.63 -4.94 105.19 101.27 2gpy n GLY 102 Ca 0.18 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2gpy n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gpy n LEU 103 N -2.16 3.76 0.17 0.99 4.77 -0.44 -4.57 117.00 119.53 2gpy n LEU 103 Ca -0.14 -2.08 0.13 0.00 -0.03 0.00 0.00 56.01 53.89 2gpy n LEU 103 Cb 0.61 -0.43 0.60 0.00 -2.33 0.00 0.00 43.42 41.88 2gpy n LEU 103 CO 0.22 0.89 0.89 -0.33 -1.33 0.00 0.00 177.39 177.73 2gpy h GLU 104 N 3.56 0.00 0.00 3.23 5.08 -1.80 0.45 114.58 125.10 2gpy h GLU 104 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gpy h GLU 104 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2gpy h GLU 104 CO 0.03 0.00 -0.72 0.66 -1.00 0.00 0.00 179.01 177.98 2gpy h SER 105 N 0.00 0.00 -0.00 1.42 4.64 -1.96 -3.38 113.55 114.27 2gpy h SER 105 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2gpy h SER 105 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2gpy h SER 105 CO 0.00 0.01 -0.38 0.54 -0.87 0.00 0.00 176.83 176.13 2gpy n ARG 106 N -2.72 3.70 -3.96 4.77 1.74 -0.41 -4.88 116.66 114.90 2gpy n ARG 106 Ca 0.01 -0.11 -0.30 0.00 -0.77 0.00 0.00 57.85 56.68 2gpy n ARG 106 Cb 0.53 -0.95 -0.16 0.00 -1.02 0.00 0.00 32.46 30.87 2gpy n ARG 106 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2gpy s ILE 107 N -1.74 1.51 -0.36 0.55 1.01 0.02 -0.06 121.20 122.14 2gpy s ILE 107 Ca 0.04 -0.98 -0.14 0.00 0.00 0.00 0.00 60.65 59.57 2gpy s ILE 107 Cb 0.07 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 2gpy s ILE 107 CO 0.34 0.11 0.31 -0.70 0.00 0.00 0.00 174.94 175.00 2gpy s GLU 108 N 1.44 3.41 -0.24 2.79 2.12 0.71 -4.56 118.70 124.39 2gpy s GLU 108 Ca -0.02 -0.62 -0.16 0.00 0.36 0.00 0.00 54.97 54.53 2gpy s GLU 108 Cb -0.17 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 2gpy s GLU 108 CO -0.08 -0.55 0.43 -0.51 -0.54 0.00 0.00 175.26 174.01 2gpy s LEU 109 N 1.87 4.09 -0.15 2.70 1.43 -1.26 -0.67 118.68 126.69 2gpy s LEU 109 Ca 0.09 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.60 2gpy s LEU 109 Cb -0.17 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 2gpy s LEU 109 CO 0.11 -0.17 -0.01 -0.76 0.23 0.00 0.00 176.35 175.76 2gpy s LEU 110 N 1.80 3.45 -0.20 1.79 1.43 0.62 -4.97 118.68 122.60 2gpy s LEU 110 Ca 0.19 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2gpy s LEU 110 Cb -0.15 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2gpy s LEU 110 CO 0.09 0.20 -0.17 0.12 0.23 0.00 0.00 176.35 176.83 2gpy s PHE 111 N 0.17 2.87 0.09 0.29 5.36 -1.26 -0.97 117.98 124.54 2gpy s PHE 111 Ca 0.00 -1.65 0.00 0.00 -0.96 0.00 0.00 56.93 54.32 2gpy s PHE 111 Cb -0.13 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 2gpy s PHE 111 CO 0.02 -0.79 0.00 0.41 -1.46 0.00 0.00 175.22 173.40 2gpy n GLY 112 N 4.62 -0.56 3.56 13.12 0.00 -1.26 -5.05 105.19 119.62 2gpy n GLY 112 Ca -0.20 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2gpy n GLY 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gpy s ASP 113 N -3.44 6.14 0.63 1.61 -1.08 -1.26 -2.85 116.67 116.42 2gpy s ASP 113 Ca 0.00 -0.28 0.17 0.00 -0.52 0.00 0.00 52.55 51.92 2gpy s ASP 113 Cb 0.00 -2.56 0.75 0.00 -1.46 0.00 0.00 42.92 39.65 2gpy s ASP 113 CO 0.00 -1.82 1.35 0.00 0.52 0.00 0.00 175.17 175.22 2gpy h ALA 114 N 10.35 2.27 0.00 3.66 0.00 -1.93 0.29 119.26 133.90 2gpy h ALA 114 Ca -0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2gpy h ALA 114 Cb 1.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2gpy h ALA 114 CO 1.26 -1.14 -0.43 -0.07 0.00 0.00 0.00 179.25 178.87 2gpy h LEU 115 N 0.00 0.00 -3.15 0.00 4.07 -2.01 -3.12 115.31 111.10 2gpy h LEU 115 Ca 0.20 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.10 2gpy h LEU 115 Cb 2.04 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.74 2gpy h LEU 115 CO -0.00 0.43 -0.18 0.00 -1.08 0.00 0.00 178.44 177.60 2gpy n GLN 116 N -3.61 1.80 0.00 1.13 6.02 0.10 -4.42 117.38 118.40 2gpy n GLN 116 Ca -0.00 -3.05 0.04 0.00 -0.01 0.00 0.00 57.00 53.98 2gpy n GLN 116 Cb 0.53 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2gpy n GLN 116 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gpy n LEU 117 N -1.10 1.18 0.18 1.08 4.77 -1.17 -4.68 117.00 117.26 2gpy n LEU 117 Ca 0.23 -0.79 0.04 0.00 -0.03 0.00 0.00 56.01 55.47 2gpy n LEU 117 Cb 0.82 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 42.23 2gpy n LEU 117 CO 0.07 0.24 0.65 1.23 -1.33 0.00 0.00 177.39 178.26 2gpy h GLY 118 N 1.88 0.00 1.04 -0.72 0.00 -1.77 -1.33 103.07 102.17 2gpy h GLY 118 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2gpy h GLY 118 CO 0.00 0.00 -0.19 0.83 0.00 0.00 0.00 176.54 177.18 2gpy h GLU 119 N 0.00 0.86 0.59 4.80 4.39 -1.90 -1.74 114.58 121.59 2gpy h GLU 119 Ca -0.00 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 2gpy h GLU 119 Cb 0.91 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2gpy h GLU 119 CO 0.05 1.02 -0.29 -0.22 -1.16 0.00 0.00 179.01 178.41 2gpy h LYS 120 N 0.68 -0.77 0.00 2.33 3.64 -1.78 -3.29 116.57 117.39 2gpy h LYS 120 Ca 0.09 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2gpy h LYS 120 Cb 0.75 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2gpy h LYS 120 CO 0.06 -0.48 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.62 2gpy h LEU 121 N -0.89 0.00 -0.22 5.20 3.38 -1.23 -1.96 115.31 119.59 2gpy h LEU 121 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2gpy h LEU 121 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2gpy h LEU 121 CO 0.13 0.07 0.00 -1.84 0.09 0.00 0.00 178.44 176.90 2gpy n GLU 122 N -3.93 0.07 0.00 1.13 0.28 -0.66 -1.03 120.64 116.50 2gpy n GLU 122 Ca -0.02 0.28 0.13 0.00 -0.16 0.00 0.00 57.16 57.39 2gpy n GLU 122 Cb 0.16 -1.63 0.41 0.00 1.43 0.00 0.00 31.44 31.81 2gpy n GLU 122 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2gpy n LEU 123 N -1.77 0.63 -4.83 -1.84 4.77 -0.74 -4.89 117.00 108.34 2gpy n LEU 123 Ca 0.03 -0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 2gpy n LEU 123 Cb 0.21 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2gpy n LEU 123 CO 0.17 0.13 0.71 -0.31 -1.33 0.00 0.00 177.39 176.76 2gpy s TYR 124 N -2.71 3.21 0.82 -1.77 1.51 -0.20 -5.04 117.35 113.16 2gpy s TYR 124 Ca 0.20 1.42 -0.10 0.00 -1.01 0.00 0.00 57.07 57.58 2gpy s TYR 124 Cb 0.19 -2.87 0.09 0.00 -0.11 0.00 0.00 41.96 39.25 2gpy s TYR 124 CO 0.57 -1.02 1.11 -2.14 -1.11 0.00 0.00 175.55 172.96 2gpy s PRO 125 N -4.74 1.83 0.65 -1.71 0.02 -1.26 -4.96 135.00 124.83 2gpy s PRO 125 Ca 0.59 1.27 -0.18 0.00 0.02 0.00 0.00 61.00 62.70 2gpy s PRO 125 Cb -0.14 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 2gpy s PRO 125 CO 0.48 -1.98 1.26 1.28 -0.33 0.00 0.00 177.00 177.71 2gpy n LEU 126 N -3.76 5.76 -4.88 -5.54 4.77 -1.26 -5.00 117.00 107.09 2gpy n LEU 126 Ca 0.10 0.81 -0.33 0.00 -0.03 0.00 0.00 56.01 56.56 2gpy n LEU 126 Cb 0.53 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.03 2gpy n LEU 126 CO 0.52 -1.12 0.05 -0.36 -1.33 0.00 0.00 177.39 175.16 2gpy s PHE 127 N -1.43 3.52 0.17 -1.77 0.08 -1.26 -4.82 117.98 112.47 2gpy s PHE 127 Ca 0.82 0.66 0.06 0.00 0.12 0.00 0.00 56.93 58.59 2gpy s PHE 127 Cb -0.38 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 39.97 2gpy s PHE 127 CO 0.41 0.47 1.38 -0.44 -0.10 0.00 0.00 175.22 176.95 2gpy h ASP 128 N 3.25 0.07 -3.64 1.36 3.32 -1.23 -1.00 116.42 118.54 2gpy h ASP 128 Ca -0.48 -0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.27 2gpy h ASP 128 Cb 1.18 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 40.41 2gpy h ASP 128 CO 0.69 0.92 -0.66 -0.69 -1.72 0.00 0.00 179.24 177.78 2gpy s VAL 129 N -3.05 -0.02 -0.12 -1.35 1.01 -1.10 -1.00 120.40 114.77 2gpy s VAL 129 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2gpy s VAL 129 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.36 2gpy s VAL 129 CO 0.81 0.03 -0.15 -0.22 0.00 0.00 0.00 175.10 175.57 2gpy s LEU 130 N 0.46 2.62 -0.21 3.92 2.96 0.42 -0.97 118.68 127.88 2gpy s LEU 130 Ca -0.04 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2gpy s LEU 130 Cb -0.05 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 45.06 2gpy s LEU 130 CO -0.02 0.17 -0.09 0.12 -1.32 0.00 0.00 176.35 175.22 2gpy s PHE 131 N 0.29 2.90 -0.01 5.38 2.19 0.40 -0.53 117.98 128.59 2gpy s PHE 131 Ca -0.11 -1.14 0.04 0.00 0.33 0.00 0.00 56.93 56.05 2gpy s PHE 131 Cb -0.16 -2.04 -0.01 0.00 -1.31 0.00 0.00 43.02 39.50 2gpy s PHE 131 CO 0.06 -0.62 -0.14 0.42 1.83 0.00 0.00 175.22 176.77 2gpy s ILE 132 N 1.39 1.12 -0.42 3.12 1.01 -0.40 -0.97 121.20 126.05 2gpy s ILE 132 Ca 0.05 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 2gpy s ILE 132 Cb -0.14 -0.94 0.07 0.00 0.01 0.00 0.00 42.46 41.46 2gpy s ILE 132 CO -0.06 0.32 0.29 -0.62 0.00 0.00 0.00 174.94 174.86 2gpy s ASP 133 N -0.28 5.79 0.66 3.58 -1.08 -1.26 -0.34 116.67 123.74 2gpy s ASP 133 Ca 0.04 -1.36 0.31 0.00 -0.52 0.00 0.00 52.55 51.02 2gpy s ASP 133 Cb -0.06 -2.05 1.66 0.00 -1.46 0.00 0.00 42.92 41.01 2gpy s ASP 133 CO -0.00 -0.54 1.94 0.00 0.52 0.00 0.00 175.17 177.09 2gpy h ALA 134 N 8.51 1.38 0.00 3.66 0.00 -1.27 -1.77 119.26 129.76 2gpy h ALA 134 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2gpy h ALA 134 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2gpy h ALA 134 CO 0.77 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2gpy h ALA 135 N 1.38 1.00 -0.00 0.00 0.00 -1.82 -3.00 119.26 116.81 2gpy h ALA 135 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gpy h ALA 135 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2gpy h ALA 135 CO -0.00 0.00 -0.07 1.63 0.00 0.00 0.00 179.25 180.81 2gpy n LYS 136 N -2.76 0.76 0.00 0.00 5.02 -0.67 -5.04 118.16 115.47 2gpy n LYS 136 Ca 0.04 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2gpy n LYS 136 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2gpy n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gpy n GLY 137 N 1.23 -0.52 2.41 0.72 0.00 -1.14 -4.95 105.19 102.95 2gpy n GLY 137 Ca 0.16 -1.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 2gpy n GLY 137 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gpy n GLN 138 N -0.54 -1.79 -0.08 1.61 6.02 -1.26 -4.89 117.38 116.46 2gpy n GLN 138 Ca 0.00 0.91 -0.07 0.00 -0.01 0.00 0.00 57.00 57.84 2gpy n GLN 138 Cb 0.00 -5.52 -0.00 0.00 1.02 0.00 0.00 30.24 25.73 2gpy n GLN 138 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2gpy h TYR 139 N 0.00 0.00 -0.58 1.08 3.20 -1.90 -0.88 116.97 117.89 2gpy h TYR 139 Ca -0.43 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.41 2gpy h TYR 139 Cb 1.31 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 2gpy h TYR 139 CO 0.59 -0.04 0.16 -0.09 -1.64 0.00 0.00 178.16 177.15 2gpy h ARG 140 N 0.10 0.91 -0.34 1.82 2.43 -1.97 -1.26 114.38 116.08 2gpy h ARG 140 Ca 0.14 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2gpy h ARG 140 Cb 0.18 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2gpy h ARG 140 CO -0.23 0.83 0.22 -0.09 -1.51 0.00 0.00 179.97 179.20 2gpy h ARG 141 N 0.82 0.45 -0.31 0.20 2.43 -1.81 -1.47 114.38 114.69 2gpy h ARG 141 Ca 0.18 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.15 2gpy h ARG 141 Cb 0.31 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2gpy h ARG 141 CO -0.00 0.30 -0.50 0.74 -1.51 0.00 0.00 179.97 178.99 2gpy h PHE 142 N 0.46 1.11 -0.38 2.20 0.04 -1.04 -3.13 116.94 116.20 2gpy h PHE 142 Ca 0.12 -0.38 0.06 0.00 2.80 0.00 0.00 57.97 60.58 2gpy h PHE 142 Cb -0.05 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 37.83 2gpy h PHE 142 CO -0.05 1.21 0.06 0.35 -0.60 0.00 0.00 178.31 179.27 2gpy h PHE 143 N 0.69 0.09 0.00 -0.55 3.04 -1.15 0.11 116.94 119.15 2gpy h PHE 143 Ca 0.03 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2gpy h PHE 143 Cb 1.11 0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.64 2gpy h PHE 143 CO 0.07 -0.01 0.00 -0.25 -2.02 0.00 0.00 178.31 176.10 2gpy n ASP 144 N -5.12 0.04 0.00 0.41 8.00 -0.56 -0.78 116.55 118.54 2gpy n ASP 144 Ca 0.02 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2gpy n ASP 144 Cb 0.18 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2gpy n ASP 144 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2gpy n TYR 146 N 0.17 0.00 -0.20 1.24 4.01 0.37 -4.43 117.16 118.32 2gpy n TYR 146 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 2gpy n TYR 146 Cb 0.01 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.42 2gpy n TYR 146 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2gpy h SER 147 N 0.00 0.62 0.00 7.72 4.64 -1.10 -3.27 113.55 122.16 2gpy h SER 147 Ca 0.00 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2gpy h SER 147 Cb 0.00 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2gpy h SER 147 CO 0.00 0.37 0.40 -2.65 -0.87 0.00 0.00 176.83 174.08 2gpy n PRO 148 N -4.50 0.05 -1.01 4.77 -0.02 -1.26 -4.81 135.00 128.21 2gpy n PRO 148 Ca 0.13 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2gpy n PRO 148 Cb 0.33 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2gpy n PRO 148 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2gpy n VAL 150 N 2.83 0.00 -1.62 -1.45 0.31 -1.24 -5.03 118.33 112.13 2gpy n VAL 150 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.01 2gpy n VAL 150 Cb 0.02 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.01 2gpy n VAL 150 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gpy s ARG 151 N -2.49 2.61 0.40 5.55 1.70 -0.38 -4.85 118.95 121.48 2gpy s ARG 151 Ca 0.00 1.39 -0.27 0.00 -0.47 0.00 0.00 55.73 56.37 2gpy s ARG 151 Cb 0.00 -1.93 -0.10 0.00 -0.57 0.00 0.00 34.95 32.35 2gpy s ARG 151 CO 0.00 -1.40 1.45 -1.25 -1.08 0.00 0.00 175.30 173.02 2gpy s PRO 152 N -4.23 4.00 0.00 3.89 0.04 -1.26 -0.77 135.00 136.67 2gpy s PRO 152 Ca 0.67 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.19 2gpy s PRO 152 Cb -0.21 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2gpy s PRO 152 CO 0.45 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2gpy n GLY 153 N 0.52 2.10 3.91 0.56 0.00 0.06 -4.99 105.19 107.36 2gpy n GLY 153 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2gpy n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gpy s GLY 154 N -1.96 1.75 -0.02 -0.02 0.00 0.05 -4.57 107.32 102.55 2gpy s GLY 154 Ca 0.00 -1.12 0.07 0.00 0.00 0.00 0.00 44.72 43.67 2gpy s GLY 154 CO 0.00 -0.38 -0.24 1.08 0.00 0.00 0.00 173.10 173.56 2gpy s LEU 155 N -5.92 2.04 -0.19 0.66 1.43 -0.17 -0.85 118.68 115.68 2gpy s LEU 155 Ca 0.72 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2gpy s LEU 155 Cb -0.05 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.93 2gpy s LEU 155 CO 0.53 0.29 -0.10 -0.63 0.23 0.00 0.00 176.35 176.67 2gpy s ILE 156 N -0.53 2.96 -0.32 -0.59 1.01 0.41 -0.44 121.20 123.70 2gpy s ILE 156 Ca 0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 2gpy s ILE 156 Cb -0.09 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 2gpy s ILE 156 CO -0.01 0.47 0.21 -0.76 0.00 0.00 0.00 174.94 174.85 2gpy s LEU 157 N 1.24 4.34 -0.36 2.97 1.43 0.31 -0.81 118.68 127.82 2gpy s LEU 157 Ca 0.03 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2gpy s LEU 157 Cb -0.14 -2.10 0.06 0.00 0.03 0.00 0.00 46.19 44.04 2gpy s LEU 157 CO -0.04 -0.20 0.13 -0.44 0.23 0.00 0.00 176.35 176.03 2gpy s SER 158 N 1.70 5.29 0.32 2.29 0.01 -0.45 -1.27 113.70 121.59 2gpy s SER 158 Ca 0.06 -1.35 -0.27 0.00 1.31 0.00 0.00 55.95 55.69 2gpy s SER 158 Cb -0.17 -1.86 -0.09 0.00 0.21 0.00 0.00 66.02 64.11 2gpy s SER 158 CO 0.09 -0.38 1.02 -0.62 0.41 0.00 0.00 173.24 173.76 2gpy s ASP 159 N 1.57 7.19 -1.48 2.44 -1.08 0.54 -1.00 116.67 124.85 2gpy s ASP 159 Ca -0.00 2.04 0.00 0.00 -0.52 0.00 0.00 52.55 54.07 2gpy s ASP 159 Cb -0.21 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.65 2gpy s ASP 159 CO 0.01 -0.19 0.00 0.59 0.52 0.00 0.00 175.17 176.10 2gpy n ASN 160 N 0.69 -5.03 0.27 -0.34 3.02 -0.57 -0.84 115.26 112.47 2gpy n ASN 160 Ca 0.01 0.01 0.12 0.00 -0.03 0.00 0.00 54.58 54.69 2gpy n ASN 160 Cb 0.48 -4.12 0.77 0.00 -0.61 0.00 0.00 39.78 36.30 2gpy n ASN 160 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2gpy h VAL 161 N 0.00 0.65 -0.07 2.41 -1.51 -1.69 -2.68 116.25 113.35 2gpy h VAL 161 Ca -0.40 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 2gpy h VAL 161 Cb 1.29 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2gpy h VAL 161 CO 0.48 0.07 0.00 0.00 -1.23 0.00 0.00 177.57 176.89 2gpy n LEU 162 N -3.86 2.04 0.00 4.19 -0.00 -1.26 -4.99 117.00 113.12 2gpy n LEU 162 Ca -0.02 -1.18 0.04 0.00 -0.00 0.00 0.00 56.01 54.84 2gpy n LEU 162 Cb 0.17 -0.04 0.21 0.00 -0.00 0.00 0.00 43.42 43.76 2gpy n LEU 162 CO 0.30 0.42 0.42 0.33 -0.00 0.00 0.00 177.39 178.86 2gpy n PHE 163 N 0.55 0.00 0.00 1.47 -0.00 -1.01 -5.17 117.46 113.30 2gpy n PHE 163 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 2gpy n PHE 163 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.77 2gpy n PHE 163 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2gpy n GLN 189 N -0.79 1.11 0.19 -4.13 1.13 -1.26 -5.12 117.38 108.51 2gpy n GLN 189 Ca 0.05 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.15 2gpy n GLN 189 Cb 0.02 -0.32 0.42 0.00 0.11 0.00 0.00 30.24 30.48 2gpy n GLN 189 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 2gpy h TRP 190 N 0.00 0.05 0.58 1.08 5.08 -2.03 0.10 115.95 120.81 2gpy h TRP 190 Ca 0.00 -0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 2gpy h TRP 190 Cb 0.00 -0.01 0.01 0.00 -3.00 0.00 0.00 29.16 26.15 2gpy h TRP 190 CO 0.00 0.29 -0.28 1.25 -1.28 0.00 0.00 178.44 178.42 2gpy h LEU 191 N 0.04 -0.66 -2.01 0.11 5.85 -2.02 -0.23 115.31 116.39 2gpy h LEU 191 Ca 0.01 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.86 2gpy h LEU 191 Cb 0.47 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2gpy h LEU 191 CO 0.03 -0.45 0.28 -0.07 -0.34 0.00 0.00 178.44 177.89 2gpy h LEU 192 N -0.82 0.00 -2.36 2.25 3.38 -1.82 0.24 115.31 116.19 2gpy h LEU 192 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2gpy h LEU 192 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2gpy h LEU 192 CO 0.13 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.87 2gpy n GLU 193 N -4.39 2.33 -1.69 1.13 2.13 -0.03 -4.72 120.64 115.40 2gpy n GLU 193 Ca 0.06 -2.13 -0.42 0.00 0.66 0.00 0.00 57.16 55.33 2gpy n GLU 193 Cb 0.47 -1.43 -0.03 0.00 0.27 0.00 0.00 31.44 30.72 2gpy n GLU 193 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2gpy s HIS 194 N -1.27 1.43 0.48 4.31 2.46 0.84 -4.88 115.29 118.66 2gpy s HIS 194 Ca 0.33 -0.37 0.14 0.00 0.47 0.00 0.00 55.06 55.63 2gpy s HIS 194 Cb 0.19 -4.22 1.11 0.00 -0.13 0.00 0.00 32.58 29.53 2gpy s HIS 194 CO 0.26 -5.41 2.08 -1.35 -2.47 0.00 0.00 174.74 167.85 2gpy h PRO 195 N 10.26 0.07 -0.01 2.88 0.11 -1.88 -2.22 132.00 141.21 2gpy h PRO 195 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2gpy h PRO 195 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2gpy h PRO 195 CO 0.94 0.12 -0.01 0.94 -0.21 0.00 0.00 178.00 179.79 2gpy n GLN 196 N -4.45 1.36 -4.59 1.05 7.27 -1.26 -4.85 117.38 111.91 2gpy n GLN 196 Ca -0.02 -0.55 -0.22 0.00 0.07 0.00 0.00 57.00 56.27 2gpy n GLN 196 Cb 0.15 -1.49 -0.16 0.00 2.41 0.00 0.00 30.24 31.15 2gpy n GLN 196 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2gpy s TYR 197 N -2.02 1.25 -0.45 3.69 1.51 -0.84 -0.61 117.35 119.88 2gpy s TYR 197 Ca 0.41 -0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 56.00 2gpy s TYR 197 Cb 0.21 -0.85 0.04 0.00 -0.11 0.00 0.00 41.96 41.26 2gpy s TYR 197 CO 0.36 -0.10 0.44 0.34 -1.11 0.00 0.00 175.55 175.48 2gpy s ASP 198 N 0.01 6.17 -0.06 2.29 -1.08 -0.07 -4.71 116.67 119.22 2gpy s ASP 198 Ca -0.01 -0.96 0.05 0.00 -0.52 0.00 0.00 52.55 51.11 2gpy s ASP 198 Cb -0.09 -2.21 -0.02 0.00 -1.46 0.00 0.00 42.92 39.14 2gpy s ASP 198 CO 0.01 -0.64 -0.20 -0.89 0.52 0.00 0.00 175.17 173.96 2gpy s THR 199 N 2.01 2.48 0.01 1.71 2.01 -1.26 -0.78 115.64 121.82 2gpy s THR 199 Ca 0.09 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.18 2gpy s THR 199 Cb -0.20 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 2gpy s THR 199 CO 0.11 0.57 -0.03 -0.60 -0.69 0.00 0.00 174.62 173.98 2gpy s ARG 200 N -0.27 0.24 -0.07 4.92 3.52 -0.75 -4.98 118.95 121.55 2gpy s ARG 200 Ca 0.00 -0.22 -0.17 0.00 -0.13 0.00 0.00 55.73 55.21 2gpy s ARG 200 Cb -0.13 -0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.06 2gpy s ARG 200 CO 0.03 0.04 0.45 0.42 -0.81 0.00 0.00 175.30 175.43 2gpy s ILE 201 N -0.38 5.12 0.02 4.11 1.01 -1.26 0.19 121.20 130.01 2gpy s ILE 201 Ca -0.03 0.92 0.05 0.00 0.00 0.00 0.00 60.65 61.59 2gpy s ILE 201 Cb -0.03 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2gpy s ILE 201 CO -0.00 0.41 -0.12 -0.36 0.00 0.00 0.00 174.94 174.87 2gpy s PHE 202 N 0.03 2.73 -1.27 3.97 0.40 0.44 -4.94 117.98 119.34 2gpy s PHE 202 Ca 0.25 -0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.27 2gpy s PHE 202 Cb -0.16 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 2gpy s PHE 202 CO 0.11 0.31 2.08 -0.35 0.70 0.00 0.00 175.22 178.07 2gpy n PRO 203 N 1.57 2.54 -4.92 0.24 -0.05 -1.26 -1.67 135.00 131.45 2gpy n PRO 203 Ca -0.16 -2.52 -0.33 0.00 -0.05 0.00 0.00 63.50 60.44 2gpy n PRO 203 Cb 0.52 -3.26 -0.14 0.00 -0.05 0.00 0.00 33.50 30.58 2gpy n PRO 203 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 2gpy s VAL 204 N 4.14 2.92 0.00 0.52 1.01 -1.26 -4.93 120.40 122.80 2gpy s VAL 204 Ca 0.51 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2gpy s VAL 204 Cb 0.12 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2gpy s VAL 204 CO -0.01 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2gpy n GLY 205 N 2.69 2.79 0.71 4.51 0.00 -1.26 0.08 105.19 114.72 2gpy n GLY 205 Ca -0.17 0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.94 2gpy n GLY 205 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gpy n ASP 206 N 2.28 2.05 0.00 1.61 8.00 -1.26 -4.93 116.55 124.29 2gpy n ASP 206 Ca 0.00 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.45 2gpy n ASP 206 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2gpy n ASP 206 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gpy n GLY 207 N 0.97 3.05 3.17 0.44 0.00 0.11 -4.81 105.19 108.12 2gpy n GLY 207 Ca 0.12 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2gpy n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gpy s ILE 208 N 0.00 1.97 -0.03 -0.61 1.01 -0.67 -1.51 121.20 121.36 2gpy s ILE 208 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 2gpy s ILE 208 Cb 0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2gpy s ILE 208 CO 0.00 0.54 0.93 0.00 0.00 0.00 0.00 174.94 176.41 2gpy s ALA 209 N 0.65 3.23 -0.34 9.38 0.00 -0.17 -0.42 121.76 134.10 2gpy s ALA 209 Ca -0.12 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 2gpy s ALA 209 Cb -0.16 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.70 2gpy s ALA 209 CO 0.02 -0.27 0.12 0.42 0.00 0.00 0.00 175.76 176.05 2gpy s ILE 210 N 1.14 3.94 -0.21 0.00 1.01 0.13 -1.34 121.20 125.87 2gpy s ILE 210 Ca 0.49 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 2gpy s ILE 210 Cb -0.20 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2gpy s ILE 210 CO 0.25 -0.16 -0.03 -0.44 0.00 0.00 0.00 174.94 174.56 2gpy s SER 211 N 1.44 4.44 -0.23 3.58 0.01 0.01 -1.80 113.70 121.15 2gpy s SER 211 Ca -0.01 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 56.82 2gpy s SER 211 Cb -0.19 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 2gpy s SER 211 CO 0.03 0.01 0.14 -0.63 0.41 0.00 0.00 173.24 173.20 2gpy s ILE 212 N 1.32 5.17 -0.04 1.44 1.01 0.04 -0.45 121.20 129.70 2gpy s ILE 212 Ca 0.04 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 2gpy s ILE 212 Cb -0.14 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 2gpy s ILE 212 CO -0.01 0.36 1.09 -0.75 0.00 0.00 0.00 174.94 175.63 2gpy s LYS 213 N 1.03 4.44 0.00 2.79 2.20 -0.03 -0.89 119.74 129.26 2gpy s LYS 213 Ca 0.07 1.55 0.20 0.00 -0.36 0.00 0.00 55.97 57.42 2gpy s LYS 213 Cb -0.14 -3.49 1.18 0.00 -1.51 0.00 0.00 37.83 33.87 2gpy s LYS 213 CO 0.04 -0.28 1.57 0.54 -0.36 0.00 0.00 175.35 176.86