#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stg s LEU 7 N 0.00 3.54 -0.10 0.00 1.02 -1.26 -5.04 118.68 116.83 1stg s LEU 7 Ca 0.00 1.87 -0.09 0.00 0.02 0.00 0.00 54.13 55.93 1stg s LEU 7 Cb 0.00 -4.54 0.03 0.00 0.02 0.00 0.00 46.19 41.70 1stg s LEU 7 CO 0.00 -1.18 0.28 -1.38 0.02 0.00 0.00 176.35 174.09 1stg s HIS 8 N -2.35 -0.31 0.06 0.29 -3.43 -1.26 -5.12 115.29 103.17 1stg s HIS 8 Ca 0.65 0.75 -0.26 0.00 -0.80 0.00 0.00 55.06 55.40 1stg s HIS 8 Cb -0.17 0.10 -0.06 0.00 -1.43 0.00 0.00 32.58 31.03 1stg s HIS 8 CO 0.35 -0.15 0.79 0.15 -2.00 0.00 0.00 174.74 173.88 1stg s LYS 9 N 0.23 4.53 0.13 -0.38 1.02 -1.26 -4.39 119.74 119.62 1stg s LYS 9 Ca -0.01 1.12 0.10 0.00 0.02 0.00 0.00 55.97 57.20 1stg s LYS 9 Cb -0.03 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1stg s LYS 9 CO -0.00 0.29 -0.24 -1.21 -0.92 0.00 0.00 175.35 173.27 1stg s GLU 10 N -0.11 1.29 0.58 1.68 2.02 0.10 -4.94 118.70 119.32 1stg s GLU 10 Ca 0.40 -1.29 -0.17 0.00 0.02 0.00 0.00 54.97 53.92 1stg s GLU 10 Cb -0.21 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 1stg s GLU 10 CO 0.24 0.38 1.09 -2.14 0.02 0.00 0.00 175.26 174.85 1stg s PRO 11 N -2.10 3.28 0.22 0.39 0.02 -1.26 -0.77 135.00 134.76 1stg s PRO 11 Ca 0.12 1.38 -0.12 0.00 0.02 0.00 0.00 61.00 62.40 1stg s PRO 11 Cb -0.10 -2.02 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 1stg s PRO 11 CO 0.06 -0.87 0.41 0.00 -0.33 0.00 0.00 177.00 176.27 1stg s ALA 12 N -2.17 -0.16 -0.07 -1.55 0.00 -0.87 -4.69 121.76 112.24 1stg s ALA 12 Ca 0.67 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.81 1stg s ALA 12 Cb -0.19 1.01 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1stg s ALA 12 CO 0.33 -0.78 -0.18 0.99 0.00 0.00 0.00 175.76 176.12 1stg s THR 13 N -4.00 1.56 0.28 0.00 2.01 -0.69 -4.27 115.64 110.54 1stg s THR 13 Ca 0.21 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 1stg s THR 13 Cb 0.01 -1.37 -0.10 0.00 0.01 0.00 0.00 72.50 71.04 1stg s THR 13 CO 0.05 0.45 1.45 -0.22 -0.69 0.00 0.00 174.62 175.66 1stg s LEU 14 N 0.42 4.38 -0.11 4.42 2.96 -1.26 -0.51 118.68 128.98 1stg s LEU 14 Ca -0.14 2.76 -0.12 0.00 -0.22 0.00 0.00 54.13 56.41 1stg s LEU 14 Cb -0.16 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 42.85 1stg s LEU 14 CO 0.05 -0.73 -0.24 -0.38 -1.32 0.00 0.00 176.35 173.73 1stg n ILE 15 N 1.89 1.37 -3.63 6.68 5.41 -0.89 -4.79 119.36 125.38 1stg n ILE 15 Ca 0.05 0.15 -0.11 0.00 1.00 0.00 0.00 62.75 63.84 1stg n ILE 15 Cb 0.40 -2.06 -0.07 0.00 -0.71 0.00 0.00 39.64 37.19 1stg n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1stg s LYS 16 N -2.59 0.78 0.33 0.38 2.20 -1.06 -5.01 119.74 114.77 1stg s LYS 16 Ca -0.21 1.09 -0.26 0.00 -0.36 0.00 0.00 55.97 56.22 1stg s LYS 16 Cb 0.04 0.29 -0.10 0.00 -1.51 0.00 0.00 37.83 36.56 1stg s LYS 16 CO 0.30 -0.12 0.97 0.00 -0.36 0.00 0.00 175.35 176.15 1stg s ALA 17 N 0.90 3.21 -0.15 3.13 0.00 -1.26 -0.28 121.76 127.31 1stg s ALA 17 Ca -0.04 0.59 -0.10 0.00 0.00 0.00 0.00 51.96 52.41 1stg s ALA 17 Cb -0.05 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1stg s ALA 17 CO -0.08 0.08 -0.23 -0.89 0.00 0.00 0.00 175.76 174.65 1stg n ILE 18 N 0.55 1.08 -2.25 0.00 2.08 -0.47 -4.89 119.36 115.46 1stg n ILE 18 Ca 0.02 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1stg n ILE 18 Cb 0.49 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 1stg n ILE 18 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1stg n ASP 19 N -3.87 0.00 -0.33 4.38 5.75 -0.68 -4.98 116.55 116.82 1stg n ASP 19 Ca -0.28 -0.04 0.13 0.00 -0.01 0.00 0.00 54.79 54.59 1stg n ASP 19 Cb 0.64 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 41.03 1stg n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1stg h GLY 20 N 0.00 1.66 -0.10 6.12 0.00 -1.82 -3.10 103.07 105.83 1stg h GLY 20 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1stg h GLY 20 CO 0.00 -0.15 -0.05 2.09 0.00 0.00 0.00 176.54 178.43 1stg n ASP 21 N -4.89 1.37 -3.88 0.19 5.68 -1.26 -4.73 116.55 109.03 1stg n ASP 21 Ca 0.22 -1.95 -0.20 0.00 -0.50 0.00 0.00 54.79 52.36 1stg n ASP 21 Cb 0.60 -0.10 -0.16 0.00 -1.14 0.00 0.00 41.12 40.32 1stg n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1stg s THR 22 N -1.00 0.52 0.03 2.12 2.01 -1.17 -1.05 115.64 117.09 1stg s THR 22 Ca 0.06 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.99 1stg s THR 22 Cb 0.05 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1stg s THR 22 CO 0.01 0.23 -0.08 0.68 -0.69 0.00 0.00 174.62 174.77 1stg s VAL 23 N 1.04 0.55 -0.19 3.82 -7.23 -0.79 -1.37 120.40 116.23 1stg s VAL 23 Ca -0.09 -0.78 -0.09 0.00 -1.81 0.00 0.00 61.98 59.21 1stg s VAL 23 Cb -0.14 -0.56 -0.05 0.00 0.56 0.00 0.00 36.38 36.19 1stg s VAL 23 CO -0.01 -0.18 0.10 -0.75 -0.31 0.00 0.00 175.10 173.95 1stg s LYS 24 N -1.04 4.07 0.09 4.82 2.47 0.61 -0.67 119.74 130.09 1stg s LYS 24 Ca -0.05 -0.28 0.02 0.00 -1.56 0.00 0.00 55.97 54.11 1stg s LYS 24 Cb -0.07 -3.31 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 1stg s LYS 24 CO 0.00 0.30 -0.08 -0.51 0.16 0.00 0.00 175.35 175.22 1stg s LEU 25 N 0.33 2.44 -0.23 5.43 1.43 0.21 -2.10 118.68 126.19 1stg s LEU 25 Ca 0.06 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 1stg s LEU 25 Cb -0.12 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 1stg s LEU 25 CO -0.01 -0.36 0.47 -0.32 0.23 0.00 0.00 176.35 176.36 1stg s MET 26 N -3.15 4.13 -0.10 1.70 -2.45 0.33 -0.71 119.30 119.05 1stg s MET 26 Ca 0.06 0.29 -0.01 0.00 -1.25 0.00 0.00 55.69 54.78 1stg s MET 26 Cb 0.00 -3.59 0.03 0.00 1.25 0.00 0.00 34.83 32.52 1stg s MET 26 CO -0.02 -0.19 -0.04 -0.47 1.05 0.00 0.00 175.02 175.34 1stg s TYR 27 N 1.80 1.13 -1.53 4.11 5.04 0.62 -1.70 117.35 126.82 1stg s TYR 27 Ca 0.21 -0.52 -0.05 0.00 -2.44 0.00 0.00 57.07 54.27 1stg s TYR 27 Cb -0.15 -1.05 0.04 0.00 0.35 0.00 0.00 41.96 41.15 1stg s TYR 27 CO 0.09 -0.45 0.38 1.63 -1.34 0.00 0.00 175.55 175.86 1stg n LYS 28 N 5.03 -2.44 -0.31 4.97 5.02 -1.26 -0.73 118.16 128.45 1stg n LYS 28 Ca -0.10 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1stg n LYS 28 Cb 0.50 -4.37 0.00 0.00 -0.02 0.00 0.00 35.03 31.13 1stg n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1stg n GLY 29 N -2.00 2.30 3.72 0.72 0.00 -1.26 -5.03 105.19 103.65 1stg n GLY 29 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1stg n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1stg s GLN 30 N -0.03 3.60 0.16 1.61 0.74 0.10 -5.06 119.66 120.78 1stg s GLN 30 Ca 0.00 -0.29 -0.31 0.00 0.05 0.00 0.00 55.36 54.81 1stg s GLN 30 Cb 0.00 -3.12 -0.09 0.00 1.10 0.00 0.00 33.01 30.90 1stg s GLN 30 CO 0.00 0.52 1.40 -2.14 -0.55 0.00 0.00 175.29 174.53 1stg s PRO 31 N -0.33 4.31 -0.00 1.67 0.02 -1.26 -0.27 135.00 139.14 1stg s PRO 31 Ca 0.09 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.23 1stg s PRO 31 Cb -0.12 -3.20 -0.00 0.00 0.02 0.00 0.00 34.50 31.20 1stg s PRO 31 CO 0.02 -0.41 0.04 -1.64 -0.33 0.00 0.00 177.00 174.67 1stg s MET 32 N 0.60 0.22 0.02 5.54 -1.94 0.12 -4.94 119.30 118.92 1stg s MET 32 Ca 0.63 -0.25 -0.04 0.00 -1.71 0.00 0.00 55.69 54.31 1stg s MET 32 Cb -0.38 0.09 -0.04 0.00 2.01 0.00 0.00 34.83 36.50 1stg s MET 32 CO 0.34 -0.04 0.23 -0.08 -0.01 0.00 0.00 175.02 175.46 1stg s THR 33 N -0.75 5.37 -0.02 2.05 -1.32 -1.26 -0.62 115.64 119.08 1stg s THR 33 Ca -0.08 -0.07 0.08 0.00 -1.21 0.00 0.00 61.69 60.41 1stg s THR 33 Cb -0.05 -3.57 -0.02 0.00 -1.51 0.00 0.00 72.50 67.35 1stg s THR 33 CO -0.00 0.29 -0.25 -0.36 -2.21 0.00 0.00 174.62 172.09 1stg s PHE 34 N -1.37 2.27 -0.12 9.09 0.40 0.16 -0.49 117.98 127.92 1stg s PHE 34 Ca 0.29 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1stg s PHE 34 Cb -0.13 -1.46 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1stg s PHE 34 CO 0.19 -0.03 -0.10 0.50 0.70 0.00 0.00 175.22 176.48 1stg s ARG 35 N -0.61 3.34 -0.02 0.44 6.06 0.46 -1.89 118.95 126.73 1stg s ARG 35 Ca 0.10 -0.63 -0.30 0.00 -2.50 0.00 0.00 55.73 52.40 1stg s ARG 35 Cb -0.10 -2.68 -0.06 0.00 0.06 0.00 0.00 34.95 32.17 1stg s ARG 35 CO -0.01 0.29 1.58 -0.51 -2.50 0.00 0.00 175.30 174.16 1stg s LEU 36 N 0.16 4.33 0.35 -0.88 1.43 -0.22 -2.69 118.68 121.16 1stg s LEU 36 Ca -0.05 2.25 -0.29 0.00 -1.03 0.00 0.00 54.13 55.01 1stg s LEU 36 Cb -0.15 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.42 1stg s LEU 36 CO 0.04 -0.86 1.48 -0.76 0.23 0.00 0.00 176.35 176.48 1stg s LEU 37 N 3.29 4.34 -0.53 1.79 1.43 -0.45 -3.99 118.68 124.56 1stg s LEU 37 Ca 0.71 2.97 0.00 0.00 -1.03 0.00 0.00 54.13 56.78 1stg s LEU 37 Cb -0.34 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.22 1stg s LEU 37 CO 0.29 -0.83 0.00 0.18 0.23 0.00 0.00 176.35 176.22 1stg n LEU 38 N 0.90 0.02 -4.19 1.79 4.77 -1.26 -4.93 117.00 114.11 1stg n LEU 38 Ca 0.02 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 1stg n LEU 38 Cb 0.39 -1.84 -0.11 0.00 -2.33 0.00 0.00 43.42 39.54 1stg n LEU 38 CO 0.63 -0.65 -0.41 0.68 -1.33 0.00 0.00 177.39 176.31 1stg s VAL 39 N -1.80 0.94 -0.08 4.08 -7.23 -1.23 -1.52 120.40 113.56 1stg s VAL 39 Ca 0.00 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1stg s VAL 39 Cb 0.00 -1.49 0.03 0.00 0.56 0.00 0.00 36.38 35.48 1stg s VAL 39 CO 0.00 -0.64 -0.03 -0.62 -0.31 0.00 0.00 175.10 173.50 1stg s ASP 40 N -2.65 1.75 0.16 4.85 -1.08 -0.52 -4.66 116.67 114.52 1stg s ASP 40 Ca 0.08 -0.16 -0.02 0.00 -0.52 0.00 0.00 52.55 51.93 1stg s ASP 40 Cb -0.01 -0.58 -0.05 0.00 -1.46 0.00 0.00 42.92 40.83 1stg s ASP 40 CO -0.01 -0.16 0.35 0.42 0.52 0.00 0.00 175.17 176.30 1stg s THR 41 N 1.81 5.23 0.14 1.71 -4.23 -1.26 -1.20 115.64 117.83 1stg s THR 41 Ca 0.04 -0.26 -0.34 0.00 -1.18 0.00 0.00 61.69 59.94 1stg s THR 41 Cb -0.12 -3.68 -0.16 0.00 1.34 0.00 0.00 72.50 69.87 1stg s THR 41 CO -0.06 -0.05 1.17 -0.81 -0.54 0.00 0.00 174.62 174.33 1stg n PRO 42 N -0.27 1.01 -2.98 3.99 -0.04 -1.26 -4.95 135.00 130.50 1stg n PRO 42 Ca -0.04 0.36 -0.40 0.00 -0.04 0.00 0.00 63.50 63.38 1stg n PRO 42 Cb 0.53 -1.87 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 1stg n PRO 42 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1stg s GLU 43 N -0.16 4.48 0.00 0.54 2.56 -1.26 -4.15 118.70 120.71 1stg s GLU 43 Ca 0.77 1.04 0.00 0.00 0.00 0.00 0.00 54.97 56.78 1stg s GLU 43 Cb -0.92 -3.39 0.00 0.00 2.00 0.00 0.00 34.13 31.82 1stg s GLU 43 CO 0.51 0.20 0.09 0.25 -0.56 0.00 0.00 175.26 175.75 1stg n THR 44 N 3.15 0.00 -3.83 -1.70 -2.24 -1.26 -0.55 114.28 107.84 1stg n THR 44 Ca -0.02 0.58 -0.30 0.00 -2.27 0.00 0.00 64.05 62.05 1stg n THR 44 Cb 0.51 -1.56 -0.16 0.00 -2.10 0.00 0.00 70.33 67.02 1stg n THR 44 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1stg s LYS 45 N -1.15 1.09 -0.30 -0.78 1.02 -1.26 -3.82 119.74 114.54 1stg s LYS 45 Ca 0.00 -0.97 -0.02 0.00 0.02 0.00 0.00 55.97 55.00 1stg s LYS 45 Cb 0.00 -2.35 0.19 0.00 -0.52 0.00 0.00 37.83 35.16 1stg s LYS 45 CO 0.00 -0.77 0.76 -1.01 -0.92 0.00 0.00 175.35 173.41 1stg s HIS 46 N 1.53 -1.32 0.64 3.18 3.76 -1.26 -5.06 115.29 116.75 1stg s HIS 46 Ca 0.02 0.97 0.36 0.00 -0.15 0.00 0.00 55.06 56.25 1stg s HIS 46 Cb -0.18 0.30 1.99 0.00 1.11 0.00 0.00 32.58 35.80 1stg s HIS 46 CO -0.13 -0.76 2.19 -1.00 -0.85 0.00 0.00 174.74 174.19 1stg h PRO 47 N 7.83 0.00 0.00 8.40 0.13 -1.94 -1.04 132.00 145.38 1stg h PRO 47 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1stg h PRO 47 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1stg h PRO 47 CO 0.08 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.48 1stg n LYS 48 N -3.30 0.77 0.00 0.86 5.02 -1.26 -3.51 118.16 116.74 1stg n LYS 48 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1stg n LYS 48 Cb 0.21 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1stg n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1stg n LYS 49 N -0.66 0.00 0.00 1.97 5.02 -0.48 -5.17 118.16 118.85 1stg n LYS 49 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1stg n LYS 49 Cb 0.03 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 1stg n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1stg n GLY 50 N 0.79 -0.20 3.28 0.72 0.00 -0.71 -4.81 105.19 104.26 1stg n GLY 50 Ca 0.00 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 1stg n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1stg s VAL 51 N 0.00 3.39 0.54 1.61 1.01 -1.25 -4.06 120.40 121.64 1stg s VAL 51 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1stg s VAL 51 Cb 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1stg s VAL 51 CO 0.00 0.21 0.84 -1.61 0.00 0.00 0.00 175.10 174.55 1stg s GLU 52 N 1.43 3.21 0.19 2.72 8.01 0.28 -4.99 118.70 129.55 1stg s GLU 52 Ca 0.02 0.08 -0.31 0.00 0.01 0.00 0.00 54.97 54.77 1stg s GLU 52 Cb -0.16 -2.32 -0.10 0.00 -4.31 0.00 0.00 34.13 27.24 1stg s GLU 52 CO -0.02 -0.47 1.50 0.21 0.01 0.00 0.00 175.26 176.49 1stg s LYS 53 N -4.87 4.24 0.00 1.61 2.47 -1.26 -1.58 119.74 120.35 1stg s LYS 53 Ca 0.51 2.31 0.00 0.00 -1.56 0.00 0.00 55.97 57.23 1stg s LYS 53 Cb -0.10 -3.14 0.00 0.00 -1.46 0.00 0.00 37.83 33.12 1stg s LYS 53 CO 0.45 -0.52 0.00 0.66 0.16 0.00 0.00 175.35 176.10 1stg n TYR 54 N 3.30 0.00 0.14 4.03 4.01 -1.26 -4.77 117.16 122.62 1stg n TYR 54 Ca 0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 1stg n TYR 54 Cb 0.40 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.34 1stg n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1stg h GLY 55 N 0.00 -1.05 0.35 2.72 0.00 -1.45 0.92 103.07 104.56 1stg h GLY 55 Ca 0.00 0.58 0.18 0.00 0.00 0.00 0.00 47.33 48.09 1stg h GLY 55 CO 0.00 -0.29 0.59 -2.55 0.00 0.00 0.00 176.54 174.30 1stg h PRO 56 N -0.76 0.55 -0.06 4.80 0.11 -1.86 -2.04 132.00 132.74 1stg h PRO 56 Ca -0.00 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.99 1stg h PRO 56 Cb 0.75 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1stg h PRO 56 CO -0.24 0.37 -0.31 0.93 -0.21 0.00 0.00 178.00 178.55 1stg h GLU 57 N 0.57 0.32 -0.54 1.05 3.07 -1.82 -0.85 114.58 116.37 1stg h GLU 57 Ca 0.48 -0.26 0.01 0.00 -0.50 0.00 0.00 59.36 59.09 1stg h GLU 57 Cb 0.96 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.90 1stg h GLU 57 CO -0.22 0.90 0.36 0.00 -1.40 0.00 0.00 179.01 178.65 1stg h ALA 58 N 0.41 0.69 -0.93 3.43 0.00 -0.57 -1.24 119.26 121.05 1stg h ALA 58 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1stg h ALA 58 Cb 0.96 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1stg h ALA 58 CO 0.06 0.12 0.56 0.77 0.00 0.00 0.00 179.25 180.77 1stg h SER 59 N 0.73 1.11 -0.42 0.00 0.02 -1.37 -2.05 113.55 111.57 1stg h SER 59 Ca 0.20 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1stg h SER 59 Cb -0.07 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 1stg h SER 59 CO -0.05 0.85 0.01 0.00 -1.14 0.00 0.00 176.83 176.50 1stg h ALA 60 N 1.34 0.56 0.48 3.77 0.00 -0.91 -2.14 119.26 122.36 1stg h ALA 60 Ca 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1stg h ALA 60 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1stg h ALA 60 CO -0.06 0.34 -0.38 0.35 0.00 0.00 0.00 179.25 179.49 1stg h PHE 61 N 0.57 -1.03 -0.56 0.00 3.04 -0.96 -0.84 116.94 117.15 1stg h PHE 61 Ca 0.12 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.13 1stg h PHE 61 Cb 0.47 0.39 -0.05 0.00 2.56 0.00 0.00 35.95 39.31 1stg h PHE 61 CO 0.04 -0.55 0.27 1.15 -2.02 0.00 0.00 178.31 177.19 1stg h THR 62 N -0.86 0.90 -0.04 4.41 2.02 -1.41 -0.95 112.91 116.98 1stg h THR 62 Ca -0.05 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1stg h THR 62 Cb 0.73 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1stg h THR 62 CO -0.00 0.09 -0.19 0.50 0.37 0.00 0.00 175.52 176.28 1stg h LYS 63 N 0.50 -0.28 -0.14 6.66 3.64 -1.25 -0.59 116.57 125.12 1stg h LYS 63 Ca 0.26 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1stg h LYS 63 Cb 0.21 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1stg h LYS 63 CO -0.20 -0.19 0.08 -0.22 -2.27 0.00 0.00 179.45 176.65 1stg h LYS 64 N -0.29 0.19 -0.62 1.90 3.64 -0.86 0.81 116.57 121.35 1stg h LYS 64 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1stg h LYS 64 Cb 0.39 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1stg h LYS 64 CO -0.21 0.18 0.34 1.98 -2.27 0.00 0.00 179.45 179.47 1stg h MET 65 N 0.14 0.86 0.00 1.90 4.05 -0.88 -1.04 114.93 119.97 1stg h MET 65 Ca 0.05 -0.10 -0.21 0.00 -0.28 0.00 0.00 59.70 59.16 1stg h MET 65 Cb 0.04 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 1stg h MET 65 CO -0.01 0.65 -1.03 0.28 0.23 0.00 0.00 176.91 177.04 1stg h VAL 66 N 0.84 1.69 -0.00 -5.77 2.07 -0.99 -3.06 116.25 111.02 1stg h VAL 66 Ca 0.22 -3.40 -0.18 0.00 0.82 0.00 0.00 66.70 64.16 1stg h VAL 66 Cb 0.04 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1stg h VAL 66 CO -0.04 0.96 -0.81 -0.33 0.02 0.00 0.00 177.57 177.38 1stg h GLU 67 N 0.00 0.10 -0.00 1.57 5.08 -0.57 -3.08 114.58 117.69 1stg h GLU 67 Ca -0.02 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1stg h GLU 67 Cb 1.78 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.06 1stg h GLU 67 CO 0.13 0.85 -0.16 0.09 -1.00 0.00 0.00 179.01 178.92 1stg n ASN 68 N -3.65 0.22 -4.76 1.42 5.03 -0.42 -4.88 115.26 108.22 1stg n ASN 68 Ca -0.02 0.08 -0.41 0.00 0.87 0.00 0.00 54.58 55.10 1stg n ASN 68 Cb 0.77 -0.21 -0.03 0.00 -1.02 0.00 0.00 39.78 39.29 1stg n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1stg s ALA 69 N -2.89 3.48 -0.15 5.41 0.00 -1.16 -4.92 121.76 121.53 1stg s ALA 69 Ca 0.16 1.11 0.16 0.00 0.00 0.00 0.00 51.96 53.40 1stg s ALA 69 Cb 0.19 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1stg s ALA 69 CO 0.57 -0.48 1.13 1.57 0.00 0.00 0.00 175.76 178.55 1stg h LYS 70 N 4.13 0.00 -3.88 0.00 2.10 -1.90 -3.46 116.57 113.57 1stg h LYS 70 Ca -0.47 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.68 1stg h LYS 70 Cb 1.22 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 32.17 1stg h LYS 70 CO 0.70 0.36 -0.78 0.15 -2.00 0.00 0.00 179.45 177.87 1stg s LYS 71 N -2.98 1.01 -0.13 0.07 1.02 -1.26 -5.02 119.74 112.45 1stg s LYS 71 Ca 0.01 -0.26 -0.06 0.00 0.02 0.00 0.00 55.97 55.68 1stg s LYS 71 Cb 0.08 -1.64 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 1stg s LYS 71 CO 0.78 -0.42 0.07 0.42 -0.92 0.00 0.00 175.35 175.29 1stg s ILE 72 N 1.80 4.93 0.06 2.17 -1.09 -1.26 -0.88 121.20 126.93 1stg s ILE 72 Ca 0.02 -0.00 0.06 0.00 -2.23 0.00 0.00 60.65 58.49 1stg s ILE 72 Cb -0.14 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 1stg s ILE 72 CO -0.07 0.57 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.44 1stg s GLU 73 N -0.57 0.93 -0.16 2.79 2.02 -0.23 -2.05 118.70 121.43 1stg s GLU 73 Ca 0.11 -0.91 -0.03 0.00 0.02 0.00 0.00 54.97 54.16 1stg s GLU 73 Cb -0.12 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 33.11 1stg s GLU 73 CO 0.02 0.23 -0.05 0.08 0.02 0.00 0.00 175.26 175.56 1stg s VAL 74 N -1.07 3.66 -0.24 2.63 1.01 0.05 -0.70 120.40 125.73 1stg s VAL 74 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1stg s VAL 74 Cb -0.09 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.76 1stg s VAL 74 CO 0.02 0.49 -0.01 -0.70 0.00 0.00 0.00 175.10 174.90 1stg s GLU 75 N 0.52 1.30 0.64 2.72 2.12 0.06 -0.72 118.70 125.35 1stg s GLU 75 Ca -0.04 -0.95 -0.12 0.00 0.36 0.00 0.00 54.97 54.22 1stg s GLU 75 Cb -0.15 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 1stg s GLU 75 CO 0.03 -0.68 1.04 -0.06 -0.54 0.00 0.00 175.26 175.05 1stg s PHE 76 N 1.48 3.29 0.00 5.30 0.08 -1.26 -0.40 117.98 126.47 1stg s PHE 76 Ca -0.02 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.43 1stg s PHE 76 Cb -0.18 -2.84 0.00 0.00 -0.57 0.00 0.00 43.02 39.43 1stg s PHE 76 CO -0.09 -0.97 0.00 -3.47 -0.10 0.00 0.00 175.22 170.59 1stg n ASP 77 N -2.72 0.00 -0.28 1.36 -0.08 -1.26 -4.68 116.55 108.89 1stg n ASP 77 Ca 0.07 -0.28 0.12 0.00 -1.51 0.00 0.00 54.79 53.19 1stg n ASP 77 Cb 0.54 0.00 0.26 0.00 2.34 0.00 0.00 41.12 44.26 1stg n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1stg n LYS 78 N -0.28 0.85 0.00 -0.67 2.85 -1.26 -4.91 118.16 114.73 1stg n LYS 78 Ca 0.00 -0.57 0.00 0.00 -1.05 0.00 0.00 58.31 56.69 1stg n LYS 78 Cb 0.00 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 1stg n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1stg n GLY 79 N 1.37 2.80 3.54 2.58 0.00 -1.26 -4.99 105.19 109.24 1stg n GLY 79 Ca 0.11 -1.77 -0.47 0.00 0.00 0.00 0.00 46.02 43.89 1stg n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1stg n GLN 80 N 0.00 0.95 0.01 1.61 3.00 -1.26 -4.93 117.38 116.76 1stg n GLN 80 Ca 0.00 0.33 0.11 0.00 -0.01 0.00 0.00 57.00 57.43 1stg n GLN 80 Cb 0.00 -1.66 -0.14 0.00 0.00 0.00 0.00 30.24 28.44 1stg n GLN 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1stg n ARG 81 N 1.08 0.64 -4.14 -1.09 3.00 -1.26 -4.79 116.66 110.09 1stg n ARG 81 Ca 0.13 -0.15 -0.17 0.00 -0.01 0.00 0.00 57.85 57.66 1stg n ARG 81 Cb 0.28 -1.56 -0.12 0.00 0.00 0.00 0.00 32.46 31.05 1stg n ARG 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1stg s THR 82 N -3.48 0.96 0.05 0.55 -4.23 -1.26 -0.65 115.64 107.57 1stg s THR 82 Ca -0.07 -1.24 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1stg s THR 82 Cb 0.13 -0.94 0.01 0.00 1.34 0.00 0.00 72.50 73.04 1stg s THR 82 CO 0.89 -0.26 0.07 -0.90 -0.54 0.00 0.00 174.62 173.88 1stg n ASP 83 N 1.34 0.09 0.16 3.99 5.68 -0.65 -4.89 116.55 122.27 1stg n ASP 83 Ca -0.22 -1.08 0.13 0.00 -0.50 0.00 0.00 54.79 53.12 1stg n ASP 83 Cb 0.54 -0.05 0.55 0.00 -1.14 0.00 0.00 41.12 41.03 1stg n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1stg h LYS 84 N 0.00 0.00 -0.40 0.11 2.10 -2.02 -1.83 116.57 114.52 1stg h LYS 84 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1stg h LYS 84 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1stg h LYS 84 CO 0.03 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.14 1stg n TYR 85 N -2.38 0.53 -1.04 0.07 4.01 -1.26 -4.95 117.16 112.15 1stg n TYR 85 Ca 0.01 -0.26 -0.01 0.00 -0.16 0.00 0.00 57.90 57.48 1stg n TYR 85 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.23 1stg n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1stg n GLY 86 N 1.34 0.51 3.81 2.72 0.00 -0.69 -5.02 105.19 107.86 1stg n GLY 86 Ca 0.18 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1stg n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1stg s ARG 87 N -1.11 4.26 0.21 1.61 0.52 -1.26 -4.75 118.95 118.43 1stg s ARG 87 Ca 0.00 0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 55.78 1stg s ARG 87 Cb 0.00 -2.95 -0.09 0.00 0.52 0.00 0.00 34.95 32.43 1stg s ARG 87 CO 0.00 0.44 1.30 0.20 0.02 0.00 0.00 175.30 177.26 1stg s GLY 88 N -1.56 2.53 -0.36 -3.53 0.00 0.36 -1.63 107.32 103.13 1stg s GLY 88 Ca 0.41 1.11 -0.11 0.00 0.00 0.00 0.00 44.72 46.13 1stg s GLY 88 CO 0.21 2.03 0.20 1.08 0.00 0.00 0.00 173.10 176.63 1stg s LEU 89 N -0.32 4.56 0.25 0.66 1.43 0.17 -0.41 118.68 125.02 1stg s LEU 89 Ca 0.55 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1stg s LEU 89 Cb -0.37 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1stg s LEU 89 CO 0.40 -0.33 0.58 0.00 0.23 0.00 0.00 176.35 177.23 1stg s ALA 90 N 1.59 -0.73 -0.14 4.21 0.00 -1.10 -4.41 121.76 121.19 1stg s ALA 90 Ca 0.03 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.21 1stg s ALA 90 Cb -0.18 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1stg s ALA 90 CO 0.07 -0.92 0.69 0.71 0.00 0.00 0.00 175.76 176.31 1stg s TYR 91 N -3.96 3.47 -0.15 0.00 2.02 0.47 -1.34 117.35 117.87 1stg s TYR 91 Ca 0.16 1.11 -0.04 0.00 -0.37 0.00 0.00 57.07 57.94 1stg s TYR 91 Cb -0.03 -2.83 -0.03 0.00 -0.40 0.00 0.00 41.96 38.68 1stg s TYR 91 CO 0.06 -0.06 -0.03 0.42 -1.57 0.00 0.00 175.55 174.38 1stg s ILE 92 N 1.44 4.01 -0.10 2.71 -1.09 -1.26 -0.76 121.20 126.15 1stg s ILE 92 Ca 0.34 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1stg s ILE 92 Cb -0.17 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 37.95 1stg s ILE 92 CO 0.14 0.51 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.88 1stg s TYR 93 N 0.19 2.71 -0.27 3.97 1.51 0.12 -0.45 117.35 125.13 1stg s TYR 93 Ca -0.01 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1stg s TYR 93 Cb -0.14 -1.76 0.06 0.00 -0.11 0.00 0.00 41.96 40.02 1stg s TYR 93 CO 0.03 -0.17 -0.09 0.00 -1.11 0.00 0.00 175.55 174.21 1stg s ALA 94 N 0.09 2.62 -1.44 3.71 0.00 0.63 -1.07 121.76 126.29 1stg s ALA 94 Ca -0.07 -1.77 -0.09 0.00 0.00 0.00 0.00 51.96 50.03 1stg s ALA 94 Cb -0.15 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.36 1stg s ALA 94 CO 0.05 -1.21 0.94 -0.25 0.00 0.00 0.00 175.76 175.29 1stg n ASP 95 N 4.47 -3.95 0.00 0.00 8.00 -0.06 -1.26 116.55 123.75 1stg n ASP 95 Ca -0.14 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1stg n ASP 95 Cb 0.42 -4.12 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 1stg n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1stg n GLY 96 N -1.69 0.93 3.68 0.44 0.00 -1.26 -5.03 105.19 102.26 1stg n GLY 96 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1stg n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1stg s LYS 97 N -0.08 4.09 -0.14 1.61 1.02 -0.38 -5.04 119.74 120.82 1stg s LYS 97 Ca 0.00 -0.27 -0.29 0.00 0.02 0.00 0.00 55.97 55.43 1stg s LYS 97 Cb 0.00 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1stg s LYS 97 CO 0.00 0.20 1.32 1.41 -0.92 0.00 0.00 175.35 177.36 1stg s MET 98 N 0.63 4.23 0.32 1.68 -2.45 -1.26 -0.27 119.30 122.18 1stg s MET 98 Ca 0.07 1.75 0.05 0.00 -1.25 0.00 0.00 55.69 56.31 1stg s MET 98 Cb -0.12 -3.78 0.54 0.00 1.25 0.00 0.00 34.83 32.72 1stg s MET 98 CO 0.01 -0.71 1.80 0.28 1.05 0.00 0.00 175.02 177.45 1stg h VAL 99 N 5.46 1.24 -0.29 10.11 2.07 -1.13 -1.33 116.25 132.38 1stg h VAL 99 Ca -0.29 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 1stg h VAL 99 Cb 1.12 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1stg h VAL 99 CO 0.96 0.34 -0.07 0.78 0.02 0.00 0.00 177.57 179.60 1stg h ASN 100 N 0.38 0.45 0.10 0.57 4.21 -1.91 -2.06 115.58 117.31 1stg h ASN 100 Ca 0.07 -0.10 -0.14 0.00 1.21 0.00 0.00 56.30 57.34 1stg h ASN 100 Cb 0.54 -0.12 0.02 0.00 -1.12 0.00 0.00 38.32 37.63 1stg h ASN 100 CO 0.03 0.57 -0.62 -0.08 -1.29 0.00 0.00 177.43 176.04 1stg h GLU 101 N 0.44 0.24 -0.81 0.81 4.22 -1.84 -3.03 114.58 114.63 1stg h GLU 101 Ca 0.09 -0.39 0.19 0.00 0.08 0.00 0.00 59.36 59.32 1stg h GLU 101 Cb 0.40 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.68 1stg h GLU 101 CO 0.02 1.17 0.25 0.00 -2.18 0.00 0.00 179.01 178.27 1stg h ALA 102 N 0.09 1.13 -0.33 2.92 0.00 -1.04 0.14 119.26 122.17 1stg h ALA 102 Ca -0.11 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1stg h ALA 102 Cb 1.47 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1stg h ALA 102 CO 0.12 -0.35 -0.09 -0.07 0.00 0.00 0.00 179.25 178.86 1stg h LEU 103 N 0.31 0.65 -0.47 0.00 3.38 -1.43 -2.44 115.31 115.31 1stg h LEU 103 Ca 0.48 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1stg h LEU 103 Cb 0.86 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1stg h LEU 103 CO -0.54 0.87 0.15 0.58 0.09 0.00 0.00 178.44 179.59 1stg h VAL 104 N 0.42 1.22 -0.30 1.22 2.07 -1.32 -0.58 116.25 118.98 1stg h VAL 104 Ca 0.08 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1stg h VAL 104 Cb 0.59 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1stg h VAL 104 CO 0.03 0.27 0.20 -0.09 0.02 0.00 0.00 177.57 178.01 1stg h ARG 105 N 0.62 0.34 -0.00 1.57 9.65 -0.60 -0.60 114.38 125.36 1stg h ARG 105 Ca 0.15 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1stg h ARG 105 Cb 0.26 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1stg h ARG 105 CO -0.01 0.23 -0.06 1.04 2.80 0.00 0.00 179.97 183.98 1stg n GLN 106 N -4.49 0.48 -2.41 0.20 1.13 -0.93 -4.42 117.38 106.94 1stg n GLN 106 Ca 0.02 -0.08 -0.08 0.00 -1.94 0.00 0.00 57.00 54.92 1stg n GLN 106 Cb 0.11 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 28.97 1stg n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1stg n GLY 107 N 1.30 0.17 0.36 1.08 0.00 -0.23 -4.31 105.19 103.56 1stg n GLY 107 Ca 0.14 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.71 1stg n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1stg n LEU 108 N -1.49 2.54 -3.54 0.99 4.77 -0.26 -1.41 117.00 118.60 1stg n LEU 108 Ca -0.06 -2.04 -0.16 0.00 -0.03 0.00 0.00 56.01 53.71 1stg n LEU 108 Cb 0.55 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1stg n LEU 108 CO 0.15 0.63 0.37 0.00 -1.33 0.00 0.00 177.39 177.21 1stg s ALA 109 N -1.08 -1.59 0.16 -1.18 0.00 -1.21 -4.42 121.76 112.46 1stg s ALA 109 Ca 0.14 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.18 1stg s ALA 109 Cb 0.08 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1stg s ALA 109 CO 0.09 -0.42 0.09 0.15 0.00 0.00 0.00 175.76 175.67 1stg s LYS 110 N -1.64 2.75 -0.12 0.00 1.02 -0.34 -4.45 119.74 116.95 1stg s LYS 110 Ca -0.09 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.67 1stg s LYS 110 Cb -0.01 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1stg s LYS 110 CO 0.05 0.48 1.32 0.08 -0.92 0.00 0.00 175.35 176.37 1stg s VAL 111 N -1.72 4.13 0.20 3.17 1.01 -1.26 -1.43 120.40 124.50 1stg s VAL 111 Ca 0.30 1.39 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 1stg s VAL 111 Cb -0.10 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1stg s VAL 111 CO 0.22 -0.10 0.24 0.00 0.00 0.00 0.00 175.10 175.46 1stg s ALA 112 N 3.34 0.59 -1.18 5.51 0.00 -0.58 -4.88 121.76 124.55 1stg s ALA 112 Ca 0.58 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1stg s ALA 112 Cb -0.24 1.17 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1stg s ALA 112 CO 0.19 -0.66 0.77 0.66 0.00 0.00 0.00 175.76 176.72 1stg n TYR 113 N -0.27 -2.00 -2.86 0.00 4.01 -1.26 -3.49 117.16 111.29 1stg n TYR 113 Ca -0.01 0.65 -0.43 0.00 -0.16 0.00 0.00 57.90 57.95 1stg n TYR 113 Cb 0.64 -3.85 -0.02 0.00 -0.31 0.00 0.00 39.34 35.79 1stg n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1stg s VAL 114 N -3.54 4.60 -0.43 -0.72 1.01 -1.26 -4.58 120.40 115.47 1stg s VAL 114 Ca 0.31 -1.51 -0.15 0.00 0.00 0.00 0.00 61.98 60.63 1stg s VAL 114 Cb -0.09 -4.84 0.04 0.00 0.00 0.00 0.00 36.38 31.49 1stg s VAL 114 CO 0.83 -1.60 0.33 -0.31 0.00 0.00 0.00 175.10 174.35 1stg s TYR 115 N 3.04 3.25 0.49 5.22 2.02 -1.26 -5.05 117.35 125.05 1stg s TYR 115 Ca 0.36 -0.78 -0.22 0.00 -0.37 0.00 0.00 57.07 56.05 1stg s TYR 115 Cb -0.04 -2.83 -0.08 0.00 -0.40 0.00 0.00 41.96 38.61 1stg s TYR 115 CO -0.09 -0.69 1.07 1.17 -1.57 0.00 0.00 175.55 175.44 1stg n LYS 116 N 5.16 1.35 -0.44 -0.62 4.81 -1.26 -0.83 118.16 126.32 1stg n LYS 116 Ca -0.12 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1stg n LYS 116 Cb 0.45 -2.19 0.16 0.00 0.02 0.00 0.00 35.03 33.48 1stg n LYS 116 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1stg n PRO 117 N -0.32 2.54 -2.24 1.64 -0.04 -1.26 -4.97 135.00 130.35 1stg n PRO 117 Ca 0.10 -1.42 -0.42 0.00 -0.04 0.00 0.00 63.50 61.72 1stg n PRO 117 Cb 0.42 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1stg n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1stg n ASN 118 N 0.18 5.33 -1.15 3.54 3.02 -0.01 -4.35 115.26 121.82 1stg n ASN 118 Ca 0.15 -3.09 -0.00 0.00 -0.03 0.00 0.00 54.58 51.62 1stg n ASN 118 Cb 0.75 -1.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.43 1stg n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1stg n ASN 119 N 3.80 0.21 -0.29 6.41 6.94 -1.26 -4.46 115.26 126.60 1stg n ASN 119 Ca 0.43 -1.92 0.08 0.00 -0.02 0.00 0.00 54.58 53.14 1stg n ASN 119 Cb 0.35 -0.09 0.30 0.00 -2.36 0.00 0.00 39.78 37.98 1stg n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1stg h THR 120 N 6.26 0.95 -0.56 5.53 2.02 -1.98 -2.41 112.91 122.72 1stg h THR 120 Ca -0.28 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1stg h THR 120 Cb 1.62 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1stg h THR 120 CO -0.03 0.16 0.00 1.41 0.37 0.00 0.00 175.52 177.43 1stg n HIS 121 N -4.54 1.86 -0.19 3.16 8.25 -1.26 -4.52 115.22 117.98 1stg n HIS 121 Ca 0.16 -0.66 -0.03 0.00 -0.26 0.00 0.00 57.72 56.93 1stg n HIS 121 Cb 0.33 -0.44 0.07 0.00 1.12 0.00 0.00 29.99 31.07 1stg n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1stg h GLU 122 N 3.82 0.50 -0.31 -0.41 4.81 -1.82 -0.53 114.58 120.64 1stg h GLU 122 Ca 0.00 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1stg h GLU 122 Cb 1.79 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1stg h GLU 122 CO 0.41 0.33 -0.06 1.96 -0.73 0.00 0.00 179.01 180.92 1stg h GLN 123 N 0.52 0.59 -0.05 1.92 7.50 -1.83 0.18 115.11 123.95 1stg h GLN 123 Ca 0.25 -0.22 0.02 0.00 0.50 0.00 0.00 58.65 59.20 1stg h GLN 123 Cb 0.19 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 1stg h GLN 123 CO -0.19 0.77 -0.07 1.25 -1.50 0.00 0.00 178.83 179.10 1stg h HIS 124 N 0.37 -0.16 -0.71 2.96 2.76 -1.77 -1.03 115.15 117.56 1stg h HIS 124 Ca 0.08 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1stg h HIS 124 Cb 0.55 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 1stg h HIS 124 CO 0.05 -0.11 0.37 -0.07 -1.30 0.00 0.00 177.93 176.87 1stg h LEU 125 N -0.09 0.90 -0.93 0.26 3.38 -0.86 -2.44 115.31 115.52 1stg h LEU 125 Ca 0.04 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1stg h LEU 125 Cb 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1stg h LEU 125 CO -0.11 0.74 0.27 0.03 0.09 0.00 0.00 178.44 179.47 1stg h ARG 126 N 1.00 1.05 -0.43 1.13 2.47 -0.08 -1.81 114.38 117.71 1stg h ARG 126 Ca 0.25 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1stg h ARG 126 Cb 0.06 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 1stg h ARG 126 CO -0.04 0.86 0.25 -0.22 0.56 0.00 0.00 179.97 181.38 1stg h LYS 127 N 1.03 0.58 -0.38 0.04 3.11 -0.74 -1.63 116.57 118.57 1stg h LYS 127 Ca 0.24 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 57.90 1stg h LYS 127 Cb 0.21 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 1stg h LYS 127 CO -0.02 0.45 -0.22 0.77 -2.81 0.00 0.00 179.45 177.62 1stg h SER 128 N 0.56 0.77 -0.12 4.20 0.02 -1.23 -2.55 113.55 115.20 1stg h SER 128 Ca 0.15 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1stg h SER 128 Cb 0.03 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1stg h SER 128 CO -0.03 0.97 0.05 -0.08 -1.14 0.00 0.00 176.83 176.60 1stg h GLU 129 N 0.66 0.17 -0.78 3.45 4.81 -1.22 -1.00 114.58 120.67 1stg h GLU 129 Ca 0.09 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1stg h GLU 129 Cb 0.72 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 1stg h GLU 129 CO 0.06 0.27 0.47 0.00 -0.73 0.00 0.00 179.01 179.07 1stg h ALA 130 N 0.89 1.06 -0.74 2.92 0.00 -1.22 -0.53 119.26 121.65 1stg h ALA 130 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1stg h ALA 130 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1stg h ALA 130 CO -0.00 0.19 0.32 0.37 0.00 0.00 0.00 179.25 180.13 1stg h GLN 131 N 0.86 1.08 -0.17 0.00 5.75 -1.37 -1.48 115.11 119.78 1stg h GLN 131 Ca 0.34 -0.18 -0.09 0.00 -0.15 0.00 0.00 58.65 58.58 1stg h GLN 131 Cb 0.17 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1stg h GLN 131 CO -0.17 0.87 -0.29 0.00 -2.65 0.00 0.00 178.83 176.58 1stg h ALA 132 N 1.16 1.20 -0.08 3.38 0.00 -0.52 -1.45 119.26 122.94 1stg h ALA 132 Ca 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1stg h ALA 132 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1stg h ALA 132 CO -0.03 0.53 -0.01 0.87 0.00 0.00 0.00 179.25 180.61 1stg h LYS 133 N 0.28 0.15 -0.95 0.00 1.57 -0.86 -0.62 116.57 116.14 1stg h LYS 133 Ca 0.04 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1stg h LYS 133 Cb 0.66 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 1stg h LYS 133 CO 0.05 0.43 0.62 -0.22 -0.57 0.00 0.00 179.45 179.76 1stg h LYS 134 N -0.15 1.06 -0.05 3.15 3.64 -1.25 0.33 116.57 123.30 1stg h LYS 134 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1stg h LYS 134 Cb 0.37 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1stg h LYS 134 CO 0.01 0.70 0.00 0.39 -2.27 0.00 0.00 179.45 178.27 1stg n GLU 135 N -4.50 1.29 -3.75 1.90 1.02 -0.55 -4.93 120.64 111.12 1stg n GLU 135 Ca 0.15 -0.44 -0.24 0.00 -0.02 0.00 0.00 57.16 56.61 1stg n GLU 135 Cb 0.21 -1.39 0.04 0.00 -0.02 0.00 0.00 31.44 30.28 1stg n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1stg n LYS 136 N -0.39 -5.53 -3.27 3.49 4.76 0.11 -4.93 118.16 112.40 1stg n LYS 136 Ca 0.17 0.65 -0.38 0.00 -2.87 0.00 0.00 58.31 55.88 1stg n LYS 136 Cb 0.19 -5.40 -0.06 0.00 -1.84 0.00 0.00 35.03 27.92 1stg n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1stg s LEU 137 N -6.93 4.34 0.00 -0.35 1.43 -0.37 -3.35 118.68 113.45 1stg s LEU 137 Ca 0.29 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1stg s LEU 137 Cb -0.14 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1stg s LEU 137 CO 0.81 0.04 0.00 0.59 0.23 0.00 0.00 176.35 178.02 1stg n ASN 138 N 3.26 0.00 -0.36 2.29 3.02 -1.26 -0.27 115.26 121.93 1stg n ASN 138 Ca -0.07 0.00 0.34 0.00 -0.03 0.00 0.00 54.58 54.82 1stg n ASN 138 Cb 0.51 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.39 1stg n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1stg h ILE 139 N 0.00 0.38 -0.46 2.41 2.04 -1.55 0.58 117.51 120.92 1stg h ILE 139 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1stg h ILE 139 Cb 0.00 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1stg h ILE 139 CO 0.00 0.01 0.00 0.79 0.00 0.00 0.00 178.15 178.95 1stg n TRP 140 N -4.28 0.61 1.95 1.37 7.02 0.62 -5.13 117.44 119.60 1stg n TRP 140 Ca 0.28 -0.30 0.16 0.00 -1.02 0.00 0.00 57.50 56.61 1stg n TRP 140 Cb 1.24 0.00 0.91 0.00 -2.42 0.00 0.00 31.31 31.04 1stg n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54