#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2q s PRO 2 N 0.00 2.82 0.47 1.61 0.04 -1.26 -4.93 135.00 133.74 1w2q s PRO 2 Ca 0.00 1.33 0.14 0.00 0.04 0.00 0.00 61.00 62.50 1w2q s PRO 2 Cb 0.00 -1.96 1.07 0.00 0.04 0.00 0.00 34.50 33.65 1w2q s PRO 2 CO 0.00 -1.23 2.05 0.52 0.04 0.00 0.00 177.00 178.38 1w2q h MET 3 N -0.07 0.07 -0.82 4.56 2.86 -2.07 -2.39 114.93 117.08 1w2q h MET 3 Ca -0.46 -0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.34 1w2q h MET 3 Cb 1.24 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.78 1w2q h MET 3 CO 0.54 0.15 0.34 -0.09 1.06 0.00 0.00 176.91 178.91 1w2q h ARG 4 N 0.07 0.43 -0.38 1.72 2.43 -2.01 0.46 114.38 117.09 1w2q h ARG 4 Ca 0.02 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1w2q h ARG 4 Cb 0.18 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1w2q h ARG 4 CO 0.01 0.29 0.25 0.00 -1.51 0.00 0.00 179.97 179.01 1w2q h ARG 5 N 0.45 0.49 0.00 0.20 3.08 -1.80 -0.60 114.38 116.19 1w2q h ARG 5 Ca 0.47 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.43 1w2q h ARG 5 Cb 0.78 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1w2q h ARG 5 CO -0.45 0.33 -0.26 0.93 -1.07 0.00 0.00 179.97 179.45 1w2q h GLU 6 N 0.51 0.00 -0.42 0.04 5.08 -0.18 -2.28 114.58 117.33 1w2q h GLU 6 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1w2q h GLU 6 Cb -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1w2q h GLU 6 CO -0.03 0.26 0.21 0.00 -1.00 0.00 0.00 179.01 178.46 1w2q h ARG 7 N 0.00 0.58 -0.15 2.33 3.08 -0.74 -0.79 114.38 118.68 1w2q h ARG 7 Ca -0.00 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.03 1w2q h ARG 7 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1w2q h ARG 7 CO 0.03 0.45 0.17 0.78 -1.07 0.00 0.00 179.97 180.33 1w2q h GLY 8 N 0.68 0.00 1.04 0.04 0.00 -1.43 -0.58 103.07 102.81 1w2q h GLY 8 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.54 1w2q h GLY 8 CO -0.02 0.00 0.50 3.21 0.00 0.00 0.00 176.54 180.23 1w2q h ARG 9 N 0.00 0.82 -0.65 4.80 3.08 -1.26 -0.79 114.38 120.37 1w2q h ARG 9 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1w2q h ARG 9 Cb 0.41 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1w2q h ARG 9 CO -0.00 0.54 0.39 1.96 -1.07 0.00 0.00 179.97 181.79 1w2q h GLN 10 N 0.85 0.88 -0.03 0.04 1.08 -1.24 -0.75 115.11 115.93 1w2q h GLN 10 Ca 0.32 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1w2q h GLN 10 Cb 0.19 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1w2q h GLN 10 CO -0.11 0.62 0.03 0.78 -0.95 0.00 0.00 178.83 179.21 1w2q h GLY 11 N 0.94 0.00 0.97 3.46 0.00 -1.24 -1.29 103.07 105.91 1w2q h GLY 11 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.61 1w2q h GLY 11 CO -0.04 0.00 0.56 -0.55 0.00 0.00 0.00 176.54 176.51 1w2q h ASP 12 N 0.00 0.88 -4.15 0.19 3.32 -1.10 -3.41 116.42 112.14 1w2q h ASP 12 Ca 0.02 -0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.37 1w2q h ASP 12 Cb 0.08 -0.19 -0.25 0.00 0.22 0.00 0.00 39.33 39.19 1w2q h ASP 12 CO -0.00 0.59 -0.87 -0.44 -1.72 0.00 0.00 179.24 176.79 1w2q s SER 13 N -6.12 3.25 0.84 6.45 0.01 -0.49 -5.13 113.70 112.52 1w2q s SER 13 Ca -0.11 -0.64 -0.11 0.00 1.31 0.00 0.00 55.95 56.40 1w2q s SER 13 Cb 0.19 -0.28 0.09 0.00 0.21 0.00 0.00 66.02 66.23 1w2q s SER 13 CO 0.79 0.23 1.09 -0.44 0.41 0.00 0.00 173.24 175.33 1w2q s SER 14 N -1.54 4.05 0.71 2.44 0.01 -1.26 -4.87 113.70 113.24 1w2q s SER 14 Ca 0.13 1.48 -0.15 0.00 1.31 0.00 0.00 55.95 58.71 1w2q s SER 14 Cb -0.10 -2.19 0.03 0.00 0.21 0.00 0.00 66.02 63.96 1w2q s SER 14 CO 0.04 -2.28 1.21 -0.94 0.41 0.00 0.00 173.24 171.68 1w2q s SER 15 N -3.59 4.33 0.09 2.44 1.04 -1.26 -4.93 113.70 111.82 1w2q s SER 15 Ca 0.62 2.37 0.11 0.00 0.48 0.00 0.00 55.95 59.52 1w2q s SER 15 Cb -0.16 -2.59 -0.17 0.00 0.10 0.00 0.00 66.02 63.20 1w2q s SER 15 CO 0.56 -2.17 1.07 0.00 0.98 0.00 0.00 173.24 173.68 1w2q h GLU 17 N 0.00 0.61 0.00 0.00 5.08 -2.01 0.18 114.58 118.44 1w2q h GLU 17 Ca -0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1w2q h GLU 17 Cb 1.76 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1w2q h GLU 17 CO 0.10 0.40 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 1w2q h ARG 18 N 0.63 0.00 0.00 2.33 3.08 -1.96 -2.41 114.38 116.05 1w2q h ARG 18 Ca 0.24 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.08 1w2q h ARG 18 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1w2q h ARG 18 CO -0.07 0.00 -1.10 0.37 -1.07 0.00 0.00 179.97 178.10 1w2q h GLN 19 N 0.00 0.00 -0.19 0.04 4.15 -0.79 -3.30 115.11 115.03 1w2q h GLN 19 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 1w2q h GLN 19 Cb 0.43 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1w2q h GLN 19 CO 0.00 0.76 -0.58 0.28 -1.93 0.00 0.00 178.83 177.36 1w2q h VAL 20 N 0.00 1.32 -0.15 2.39 2.07 -1.10 -2.77 116.25 118.00 1w2q h VAL 20 Ca -0.08 -1.83 0.04 0.00 0.82 0.00 0.00 66.70 65.65 1w2q h VAL 20 Cb 1.75 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1w2q h VAL 20 CO 0.10 0.57 0.43 0.44 0.02 0.00 0.00 177.57 179.13 1w2q h ASP 21 N 0.46 0.00 1.50 0.57 3.32 -1.60 1.01 116.42 121.69 1w2q h ASP 21 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1w2q h ASP 21 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1w2q h ASP 21 CO 0.11 0.00 -0.48 -0.09 -1.72 0.00 0.00 179.24 177.06 1w2q h ARG 22 N 0.00 0.00 0.00 3.56 2.43 -1.65 -3.39 114.38 115.33 1w2q h ARG 22 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1w2q h ARG 22 Cb 0.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1w2q h ARG 22 CO -0.00 0.00 0.00 0.28 -1.51 0.00 0.00 179.97 178.74 1w2q n VAL 23 N -2.87 0.00 -3.46 0.20 0.31 0.35 -4.86 118.33 107.99 1w2q n VAL 23 Ca 0.02 1.00 -0.17 0.00 -0.01 0.00 0.00 64.34 65.18 1w2q n VAL 23 Cb 0.54 -1.69 0.02 0.00 -0.91 0.00 0.00 33.84 31.80 1w2q n VAL 23 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1w2q n ASN 24 N -0.81 -6.19 -3.71 4.52 5.03 -1.26 -4.88 115.26 107.96 1w2q n ASN 24 Ca 0.00 -0.64 -0.40 0.00 0.87 0.00 0.00 54.58 54.41 1w2q n ASN 24 Cb 0.00 -3.72 0.01 0.00 -1.02 0.00 0.00 39.78 35.04 1w2q n ASN 24 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1w2q n LEU 25 N -2.82 6.57 -0.29 3.41 4.32 -1.26 -4.79 117.00 122.15 1w2q n LEU 25 Ca -0.12 -5.35 -0.06 0.00 -0.02 0.00 0.00 56.01 50.46 1w2q n LEU 25 Cb 0.59 -1.13 0.06 0.00 -1.62 0.00 0.00 43.42 41.32 1w2q n LEU 25 CO 0.61 1.94 1.03 0.11 -1.22 0.00 0.00 177.39 179.86 1w2q h LYS 26 N 4.58 1.18 -0.36 3.23 1.57 -1.98 -2.65 116.57 122.14 1w2q h LYS 26 Ca 0.36 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1w2q h LYS 26 Cb 0.47 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1w2q h LYS 26 CO 1.19 0.97 -0.23 -1.00 -0.57 0.00 0.00 179.45 179.81 1w2q h PRO 27 N 1.14 0.72 0.80 3.15 0.13 -1.98 -2.05 132.00 133.92 1w2q h PRO 27 Ca 0.26 -0.28 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1w2q h PRO 27 Cb 0.24 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.34 1w2q h PRO 27 CO -0.02 0.88 -0.39 0.00 -0.23 0.00 0.00 178.00 178.25 1w2q h GLU 29 N -1.28 0.00 0.00 0.00 4.81 -1.51 0.97 114.58 117.57 1w2q h GLU 29 Ca -0.11 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1w2q h GLU 29 Cb 0.83 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1w2q h GLU 29 CO 0.18 0.00 -0.07 1.96 -0.73 0.00 0.00 179.01 180.36 1w2q h GLN 30 N 0.00 0.00 0.00 1.92 4.20 -0.84 -1.87 115.11 118.52 1w2q h GLN 30 Ca 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1w2q h GLN 30 Cb 1.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 1w2q h GLN 30 CO -0.00 0.07 -0.24 1.25 -0.67 0.00 0.00 178.83 179.23 1w2q h HIS 31 N 0.00 0.00 0.04 2.96 2.76 0.25 -2.46 115.15 118.70 1w2q h HIS 31 Ca -0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 1w2q h HIS 31 Cb 0.84 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1w2q h HIS 31 CO 0.00 0.06 -0.97 0.82 -1.30 0.00 0.00 177.93 176.54 1w2q h ILE 32 N 0.00 1.19 -0.32 6.26 2.04 -1.12 -3.21 117.51 122.35 1w2q h ILE 32 Ca -0.00 -2.29 -0.03 0.00 1.00 0.00 0.00 64.86 63.53 1w2q h ILE 32 Cb 1.05 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 1w2q h ILE 32 CO 0.01 0.51 0.06 0.24 0.00 0.00 0.00 178.15 178.97 1w2q h MET 33 N -0.78 0.47 -0.30 2.37 2.86 -1.44 -0.91 114.93 117.19 1w2q h MET 33 Ca -0.24 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1w2q h MET 33 Cb 1.36 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1w2q h MET 33 CO -0.07 0.46 0.16 1.96 1.06 0.00 0.00 176.91 180.48 1w2q h GLN 34 N 0.46 0.43 -0.02 1.72 4.20 -1.56 1.61 115.11 121.96 1w2q h GLN 34 Ca 0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1w2q h GLN 34 Cb 0.22 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1w2q h GLN 34 CO -0.00 0.37 -0.02 0.00 -0.67 0.00 0.00 178.83 178.52 1w2q h ARG 35 N 0.37 0.04 0.00 1.46 3.08 -1.45 1.70 114.38 119.57 1w2q h ARG 35 Ca 0.11 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1w2q h ARG 35 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1w2q h ARG 35 CO -0.02 0.53 -0.37 -0.84 -1.07 0.00 0.00 179.97 178.20 1w2q h ILE 36 N -0.45 0.93 -0.41 2.04 3.07 -1.12 -2.87 117.51 118.70 1w2q h ILE 36 Ca 0.00 -1.45 0.00 0.00 1.55 0.00 0.00 64.86 64.96 1w2q h ILE 36 Cb 0.52 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 1w2q h ILE 36 CO 0.00 0.36 0.00 0.23 -1.05 0.00 0.00 178.15 177.69 1w2q n MET 37 N -3.61 2.64 -0.01 0.16 2.81 0.55 -4.51 117.12 115.15 1w2q n MET 37 Ca -0.01 -2.13 -0.17 0.00 -1.81 0.00 0.00 57.70 53.59 1w2q n MET 37 Cb 0.48 -1.34 -0.12 0.00 -0.71 0.00 0.00 33.22 31.52 1w2q n MET 37 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1w2q h GLY 38 N 2.68 0.26 2.00 3.03 0.00 0.28 -3.20 103.07 108.12 1w2q h GLY 38 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1w2q h GLY 38 CO 0.00 0.46 0.00 0.83 0.00 0.00 0.00 176.54 177.83 1w2q h GLU 39 N -0.45 0.00 -0.28 4.80 5.08 -1.79 -2.79 114.58 119.14 1w2q h GLU 39 Ca -0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1w2q h GLU 39 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1w2q h GLU 39 CO 0.08 0.00 -0.41 1.96 -1.00 0.00 0.00 179.01 179.64 1w2q h GLN 40 N 0.00 0.69 -5.96 2.33 1.08 -1.79 -3.43 115.11 108.03 1w2q h GLN 40 Ca 0.00 -0.36 -0.68 0.00 -1.45 0.00 0.00 58.65 56.16 1w2q h GLN 40 Cb 0.49 0.01 -0.20 0.00 -0.05 0.00 0.00 27.48 27.73 1w2q h GLN 40 CO 0.00 0.97 -0.69 -1.21 -0.95 0.00 0.00 178.83 176.95 1w2q s GLU 41 N -4.27 2.93 0.14 1.46 2.02 -1.05 -5.01 118.70 114.92 1w2q s GLU 41 Ca -0.09 -0.55 -0.11 0.00 0.02 0.00 0.00 54.97 54.25 1w2q s GLU 41 Cb 0.12 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 1w2q s GLU 41 CO 0.84 0.57 1.45 1.96 0.02 0.00 0.00 175.26 180.11 1w2q h GLN 42 N 5.56 0.90 -0.80 1.61 4.20 -1.83 -3.06 115.11 121.70 1w2q h GLN 42 Ca -0.45 -0.51 0.11 0.00 0.06 0.00 0.00 58.65 57.87 1w2q h GLN 42 Cb 1.18 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.91 1w2q h GLN 42 CO 0.54 1.16 0.42 -0.92 -0.67 0.00 0.00 178.83 179.36 1w2q h TYR 43 N 0.72 0.76 -1.01 2.96 3.20 -1.95 0.22 116.97 121.88 1w2q h TYR 43 Ca 0.04 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.06 1w2q h TYR 43 Cb 1.05 -0.22 -0.08 0.00 1.54 0.00 0.00 36.73 39.02 1w2q h TYR 43 CO 0.07 0.25 0.63 -0.44 -1.64 0.00 0.00 178.16 177.03 1w2q h ASP 44 N 0.67 0.93 -3.45 -2.11 3.32 -1.76 -3.41 116.42 110.61 1w2q h ASP 44 Ca 0.41 0.05 -0.56 0.00 0.02 0.00 0.00 57.03 56.95 1w2q h ASP 44 Cb 0.47 -0.14 0.11 0.00 0.22 0.00 0.00 39.33 39.99 1w2q h ASP 44 CO -0.30 0.50 0.60 -0.24 -1.72 0.00 0.00 179.24 178.08 1w2q n SER 45 N -4.61 3.10 -4.44 6.45 2.88 0.07 -4.99 113.62 112.07 1w2q n SER 45 Ca 0.19 1.21 -0.28 0.00 -1.33 0.00 0.00 58.87 58.66 1w2q n SER 45 Cb 0.35 -1.52 -0.12 0.00 -0.75 0.00 0.00 64.21 62.17 1w2q n SER 45 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1w2q s TYR 46 N -1.00 2.38 -2.03 0.66 2.02 -1.26 -5.00 117.35 113.11 1w2q s TYR 46 Ca 0.56 -0.34 0.11 0.00 -0.37 0.00 0.00 57.07 57.03 1w2q s TYR 46 Cb -0.54 -1.23 0.53 0.00 -0.40 0.00 0.00 41.96 40.32 1w2q s TYR 46 CO 0.62 0.43 1.36 -0.40 -1.57 0.00 0.00 175.55 175.98 1w2q n ASP 47 N 0.55 0.46 -4.43 2.29 5.68 -1.26 -4.81 116.55 115.03 1w2q n ASP 47 Ca -0.15 -1.75 -0.25 0.00 -0.50 0.00 0.00 54.79 52.14 1w2q n ASP 47 Cb 0.54 -0.04 -0.11 0.00 -1.14 0.00 0.00 41.12 40.37 1w2q n ASP 47 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1w2q s ILE 48 N -1.91 2.35 0.18 2.12 -4.36 -1.26 -5.03 121.20 113.28 1w2q s ILE 48 Ca 0.17 -2.17 -0.13 0.00 -0.26 0.00 0.00 60.65 58.26 1w2q s ILE 48 Cb 0.08 -2.17 0.09 0.00 1.25 0.00 0.00 42.46 41.71 1w2q s ILE 48 CO 0.13 -0.25 1.82 0.03 0.24 0.00 0.00 174.94 176.91 1w2q h ARG 49 N 2.83 0.80 -3.36 0.37 2.47 -2.06 -3.45 114.38 111.99 1w2q h ARG 49 Ca -0.43 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.17 1w2q h ARG 49 Cb 1.23 -0.17 -0.12 0.00 -1.65 0.00 0.00 29.97 29.26 1w2q h ARG 49 CO 0.53 0.57 -0.03 -1.54 0.56 0.00 0.00 179.97 180.06 1w2q s SER 50 N -5.81 -0.25 0.21 7.04 1.04 -1.26 -5.08 113.70 109.58 1w2q s SER 50 Ca -0.13 -0.36 0.10 0.00 0.48 0.00 0.00 55.95 56.04 1w2q s SER 50 Cb 0.13 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1w2q s SER 50 CO 0.76 -0.92 -0.11 0.42 0.98 0.00 0.00 173.24 174.37 1w2q s THR 51 N -3.83 3.02 0.24 2.02 -4.23 -1.26 -5.01 115.64 106.58 1w2q s THR 51 Ca 0.05 -1.86 -0.05 0.00 -1.18 0.00 0.00 61.69 58.65 1w2q s THR 51 Cb 0.01 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.53 1w2q s THR 51 CO -0.09 -0.20 1.79 0.03 -0.54 0.00 0.00 174.62 175.61 1w2q h ARG 52 N 2.69 0.66 -0.67 3.99 3.08 -2.02 0.89 114.38 123.00 1w2q h ARG 52 Ca -0.45 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 59.65 1w2q h ARG 52 Cb 1.22 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 1w2q h ARG 52 CO 0.55 0.44 0.44 0.66 -1.07 0.00 0.00 179.97 180.99 1w2q h SER 53 N 0.68 0.47 -0.83 7.04 4.64 -2.02 -0.86 113.55 122.68 1w2q h SER 53 Ca 0.39 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.80 1w2q h SER 53 Cb 0.41 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.34 1w2q h SER 53 CO -0.27 0.28 0.49 0.28 -0.87 0.00 0.00 176.83 176.74 1w2q h SER 54 N 0.53 0.74 -0.18 4.97 0.02 -1.21 0.14 113.55 118.55 1w2q h SER 54 Ca 0.31 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.34 1w2q h SER 54 Cb 0.51 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1w2q h SER 54 CO -0.10 0.45 0.18 -0.78 -1.14 0.00 0.00 176.83 175.44 1w2q h ASP 55 N 0.86 0.00 -0.16 3.07 3.58 -1.13 -1.48 116.42 121.17 1w2q h ASP 55 Ca 0.38 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.79 1w2q h ASP 55 Cb 0.27 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 1w2q h ASP 55 CO -0.21 0.00 -0.08 1.56 -2.88 0.00 0.00 179.24 177.63 1w2q h GLN 56 N 0.00 0.33 -0.63 0.28 4.20 -0.75 -3.09 115.11 115.45 1w2q h GLN 56 Ca 0.09 -0.14 0.12 0.00 0.06 0.00 0.00 58.65 58.77 1w2q h GLN 56 Cb 0.44 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 1w2q h GLN 56 CO -0.00 0.65 0.16 1.96 -0.67 0.00 0.00 178.83 180.93 1w2q h GLN 57 N -0.00 0.29 -0.75 1.46 4.20 -1.18 0.42 115.11 119.54 1w2q h GLN 57 Ca 0.03 -0.02 0.22 0.00 0.06 0.00 0.00 58.65 58.94 1w2q h GLN 57 Cb 0.55 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1w2q h GLN 57 CO 0.02 0.19 0.61 1.96 -0.67 0.00 0.00 178.83 180.94 1w2q h GLN 58 N 0.30 0.00 -0.70 1.46 4.20 -1.45 0.31 115.11 119.22 1w2q h GLN 58 Ca 0.33 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.11 1w2q h GLN 58 Cb 0.50 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1w2q h GLN 58 CO -0.40 0.00 0.46 0.00 -0.67 0.00 0.00 178.83 178.21 1w2q h ARG 59 N 0.00 0.70 0.00 1.46 3.08 -0.19 -2.42 114.38 117.02 1w2q h ARG 59 Ca 0.36 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1w2q h ARG 59 Cb 1.57 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1w2q h ARG 59 CO -0.00 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 1w2q h ASP 62 N 0.20 0.51 -0.11 0.00 3.32 -0.58 -1.02 116.42 118.73 1w2q h ASP 62 Ca 0.72 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.75 1w2q h ASP 62 Cb 1.67 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 1w2q h ASP 62 CO -0.68 0.30 -0.05 -0.33 -1.72 0.00 0.00 179.24 176.76 1w2q h GLU 63 N 0.56 0.24 0.00 3.56 5.08 1.39 -2.21 114.58 123.20 1w2q h GLU 63 Ca 0.32 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1w2q h GLU 63 Cb 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1w2q h GLU 63 CO -0.11 0.58 0.00 1.28 -1.00 0.00 0.00 179.01 179.76 1w2q n LEU 64 N -4.71 0.00 0.06 1.33 7.99 -0.57 -1.50 117.00 119.60 1w2q n LEU 64 Ca -0.06 0.40 -0.06 0.00 -0.01 0.00 0.00 56.01 56.28 1w2q n LEU 64 Cb 0.27 -0.40 -0.10 0.00 -0.11 0.00 0.00 43.42 43.08 1w2q n LEU 64 CO 0.37 -0.29 0.08 -1.13 -1.51 0.00 0.00 177.39 174.91 1w2q h ASN 65 N 0.00 0.00 0.17 -1.43 -1.24 -0.58 -3.34 115.58 109.17 1w2q h ASN 65 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.65 1w2q h ASN 65 Cb 0.12 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.17 1w2q h ASN 65 CO 0.00 0.92 -1.85 -0.08 -1.29 0.00 0.00 177.43 175.13 1w2q h GLU 66 N 0.00 0.34 -2.53 6.67 4.81 -1.23 -3.36 114.58 119.28 1w2q h GLU 66 Ca -0.05 -0.59 -0.46 0.00 -0.13 0.00 0.00 59.36 58.13 1w2q h GLU 66 Cb 1.75 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 31.32 1w2q h GLU 66 CO 0.11 1.28 1.89 -1.33 -0.73 0.00 0.00 179.01 180.23 1w2q n MET 67 N -3.55 2.96 -0.46 1.92 2.81 -0.99 -4.65 117.12 115.16 1w2q n MET 67 Ca -0.27 -1.71 0.42 0.00 -1.81 0.00 0.00 57.70 54.32 1w2q n MET 67 Cb 1.07 -2.43 0.69 0.00 -0.71 0.00 0.00 33.22 31.84 1w2q n MET 67 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1w2q h GLU 68 N 4.07 0.00 -0.14 0.03 5.08 -1.72 1.19 114.58 123.09 1w2q h GLU 68 Ca 0.56 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.96 1w2q h GLU 68 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1w2q h GLU 68 CO 1.08 0.00 0.32 -0.91 -1.00 0.00 0.00 179.01 178.50 1w2q h ASN 69 N 0.00 0.00 -0.12 1.42 2.35 -1.91 0.15 115.58 117.48 1w2q h ASN 69 Ca 0.71 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.50 1w2q h ASN 69 Cb 3.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 41.55 1w2q h ASN 69 CO -0.01 0.00 0.09 0.71 -1.65 0.00 0.00 177.43 176.57 1w2q h THR 70 N 0.00 0.85 -0.24 2.81 1.35 0.11 -0.96 112.91 116.84 1w2q h THR 70 Ca 0.07 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.00 1w2q h THR 70 Cb 0.70 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1w2q h THR 70 CO -0.00 0.00 0.58 -0.61 -0.25 0.00 0.00 175.52 175.24 1w2q h GLN 71 N 0.00 0.00 -0.82 4.72 4.15 -0.89 -2.14 115.11 120.13 1w2q h GLN 71 Ca 0.05 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.59 1w2q h GLN 71 Cb 0.23 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.79 1w2q h GLN 71 CO -0.00 0.00 -0.46 0.78 -1.93 0.00 0.00 178.83 177.22 1w2q h GLY 72 N 0.00 -0.37 -5.72 2.39 0.00 -1.38 -3.29 103.07 94.70 1w2q h GLY 72 Ca 0.11 0.61 -0.42 0.00 0.00 0.00 0.00 47.33 47.63 1w2q h GLY 72 CO -0.00 -0.12 -0.98 0.00 0.00 0.00 0.00 176.54 175.44 1w2q h MET 74 N 3.18 0.02 -0.59 0.00 2.86 -1.60 -0.17 114.93 118.63 1w2q h MET 74 Ca 0.04 -0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.80 1w2q h MET 74 Cb 0.99 -0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.54 1w2q h MET 74 CO 0.40 0.01 -0.10 0.00 1.06 0.00 0.00 176.91 178.28 1w2q h GLU 76 N 0.03 0.00 0.01 0.00 5.08 -1.47 0.25 114.58 118.48 1w2q h GLU 76 Ca 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1w2q h GLU 76 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1w2q h GLU 76 CO -0.57 0.01 -0.01 0.00 -1.00 0.00 0.00 179.01 177.44 1w2q h ALA 77 N 1.99 -0.02 -0.42 3.43 0.00 0.25 -2.46 119.26 122.03 1w2q h ALA 77 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1w2q h ALA 77 Cb 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1w2q h ALA 77 CO 0.00 -0.02 0.24 1.25 0.00 0.00 0.00 179.25 180.73 1w2q h LEU 78 N -1.00 0.38 -0.81 0.00 5.85 -0.57 -1.49 115.31 117.68 1w2q h LEU 78 Ca -0.00 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1w2q h LEU 78 Cb 0.28 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 1w2q h LEU 78 CO 0.00 0.27 0.44 1.56 -0.34 0.00 0.00 178.44 180.38 1w2q h GLN 79 N 0.49 0.70 -0.80 1.25 4.20 -0.63 -0.15 115.11 120.17 1w2q h GLN 79 Ca 0.17 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1w2q h GLN 79 Cb 0.02 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1w2q h GLN 79 CO -0.09 0.47 0.50 0.37 -0.67 0.00 0.00 178.83 179.41 1w2q h GLN 80 N 0.72 1.08 0.24 1.46 4.15 -0.80 -2.26 115.11 119.71 1w2q h GLN 80 Ca 0.40 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1w2q h GLN 80 Cb 0.42 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1w2q h GLN 80 CO -0.27 0.75 -0.47 0.82 -1.93 0.00 0.00 178.83 177.73 1w2q h ILE 81 N 1.10 0.00 -0.62 2.39 2.04 -0.19 0.87 117.51 123.09 1w2q h ILE 81 Ca 0.29 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.28 1w2q h ILE 81 Cb -0.07 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.90 1w2q h ILE 81 CO -0.06 0.00 -0.12 0.24 0.00 0.00 0.00 178.15 178.22 1w2q h MET 82 N -0.77 0.03 0.00 2.37 2.86 -1.29 1.62 114.93 119.74 1w2q h MET 82 Ca -0.03 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1w2q h MET 82 Cb 0.72 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1w2q h MET 82 CO -0.18 0.02 0.00 0.39 1.06 0.00 0.00 176.91 178.19 1w2q n GLU 83 N -5.39 0.15 0.15 1.72 1.02 -0.70 0.21 120.64 117.79 1w2q n GLU 83 Ca 0.08 0.42 0.05 0.00 -0.02 0.00 0.00 57.16 57.69 1w2q n GLU 83 Cb 0.34 -1.80 0.05 0.00 -0.02 0.00 0.00 31.44 30.01 1w2q n GLU 83 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1w2q h ASN 84 N 0.00 0.00 -0.01 1.62 2.35 0.96 -3.40 115.58 117.11 1w2q h ASN 84 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1w2q h ASN 84 Cb 0.29 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.51 1w2q h ASN 84 CO 0.00 0.34 -0.29 0.00 -1.65 0.00 0.00 177.43 175.83 1w2q n GLN 85 N -3.12 1.37 0.06 0.81 1.13 -0.71 -4.93 117.38 112.00 1w2q n GLN 85 Ca 0.01 -1.27 0.13 0.00 -1.94 0.00 0.00 57.00 53.93 1w2q n GLN 85 Cb 0.68 0.38 0.31 0.00 0.11 0.00 0.00 30.24 31.72 1w2q n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1w2q h ASP 87 N 0.00 0.00 1.78 0.00 3.32 -1.91 1.90 116.42 121.51 1w2q h ASP 87 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1w2q h ASP 87 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1w2q h ASP 87 CO 0.00 0.00 -0.23 0.03 -1.72 0.00 0.00 179.24 177.32 1w2q h ARG 88 N 0.00 0.00 0.00 3.56 3.08 -1.96 -3.19 114.38 115.87 1w2q h ARG 88 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1w2q h ARG 88 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.70 1w2q h ARG 88 CO -0.00 0.15 0.18 -0.07 -1.07 0.00 0.00 179.97 179.16 1w2q h LEU 89 N 0.00 0.00 -1.49 3.04 3.38 0.28 -2.08 115.31 118.43 1w2q h LEU 89 Ca -0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 1w2q h LEU 89 Cb 1.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1w2q h LEU 89 CO 0.02 0.00 0.99 1.56 0.09 0.00 0.00 178.44 181.10 1w2q h GLN 90 N 0.00 0.00 -6.17 1.13 4.20 -1.66 -3.32 115.11 109.29 1w2q h GLN 90 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1w2q h GLN 90 Cb 0.36 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1w2q h GLN 90 CO 0.00 0.00 0.68 0.34 -0.67 0.00 0.00 178.83 179.18 1w2q s ASP 91 N -4.15 7.17 0.65 1.46 2.15 -0.78 -4.87 116.67 118.29 1w2q s ASP 91 Ca -0.04 1.45 0.25 0.00 0.43 0.00 0.00 52.55 54.64 1w2q s ASP 91 Cb 0.16 -2.55 1.31 0.00 -0.30 0.00 0.00 42.92 41.55 1w2q s ASP 91 CO 0.56 -0.56 1.74 -0.09 -0.17 0.00 0.00 175.17 176.66 1w2q h ARG 92 N 7.27 0.00 0.08 4.34 2.43 -1.92 -0.02 114.38 126.57 1w2q h ARG 92 Ca -0.25 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1w2q h ARG 92 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1w2q h ARG 92 CO 0.92 0.00 -0.04 1.96 -1.51 0.00 0.00 179.97 181.30 1w2q h GLN 93 N 0.00 -0.10 0.56 0.20 4.20 -1.89 -3.14 115.11 114.94 1w2q h GLN 93 Ca 0.05 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1w2q h GLN 93 Cb 1.05 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1w2q h GLN 93 CO -0.00 0.43 -0.33 0.52 -0.67 0.00 0.00 178.83 178.78 1w2q h MET 94 N -0.72 -0.80 -0.77 1.46 2.86 -1.26 0.63 114.93 116.33 1w2q h MET 94 Ca -0.01 0.05 0.23 0.00 -2.06 0.00 0.00 59.70 57.91 1w2q h MET 94 Cb 0.57 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.27 1w2q h MET 94 CO 0.02 -0.53 0.08 0.28 1.06 0.00 0.00 176.91 177.82 1w2q n VAL 95 N -4.44 -0.32 0.00 -2.22 0.31 -1.07 0.23 118.33 110.81 1w2q n VAL 95 Ca -0.10 1.67 0.00 0.00 -0.01 0.00 0.00 64.34 65.90 1w2q n VAL 95 Cb 0.34 -2.48 0.00 0.00 -0.91 0.00 0.00 33.84 30.79 1w2q n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1w2q n GLN 96 N -5.02 0.00 -0.34 5.55 6.02 -1.00 -1.76 117.38 120.82 1w2q n GLN 96 Ca 0.20 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.28 1w2q n GLN 96 Cb 0.66 -0.42 0.19 0.00 1.02 0.00 0.00 30.24 31.69 1w2q n GLN 96 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1w2q h GLN 97 N 0.00 0.01 -0.66 -1.09 4.20 -0.67 1.07 115.11 117.97 1w2q h GLN 97 Ca 0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1w2q h GLN 97 Cb 0.00 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1w2q h GLN 97 CO 0.00 0.01 0.40 0.35 -0.67 0.00 0.00 178.83 178.92 1w2q h PHE 98 N 0.01 0.86 -0.54 2.96 3.57 0.27 0.76 116.94 124.84 1w2q h PHE 98 Ca 0.51 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.94 1w2q h PHE 98 Cb 0.90 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1w2q h PHE 98 CO -0.63 0.58 0.05 -0.22 -2.23 0.00 0.00 178.31 175.86 1w2q h LYS 99 N 0.89 0.91 -0.22 1.11 3.64 0.18 2.22 116.57 125.30 1w2q h LYS 99 Ca 0.24 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1w2q h LYS 99 Cb -0.04 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1w2q h LYS 99 CO -0.05 0.90 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.80 1w2q h ARG 100 N 0.79 0.49 -0.21 1.90 2.43 0.33 -0.15 114.38 119.96 1w2q h ARG 100 Ca 0.16 -0.23 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 1w2q h ARG 100 Cb 0.46 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1w2q h ARG 100 CO 0.02 0.79 -0.42 1.49 -1.51 0.00 0.00 179.97 180.33 1w2q h GLU 101 N 0.18 0.66 0.00 0.20 4.57 0.68 -2.77 114.58 118.10 1w2q h GLU 101 Ca 0.04 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.79 1w2q h GLU 101 Cb 0.66 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1w2q h GLU 101 CO 0.04 1.04 -0.05 1.25 -1.18 0.00 0.00 179.01 180.12 1w2q h LEU 102 N 0.35 0.00 -0.70 1.64 5.85 0.37 0.50 115.31 123.32 1w2q h LEU 102 Ca 0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1w2q h LEU 102 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1w2q h LEU 102 CO 0.09 0.05 -0.24 0.24 -0.34 0.00 0.00 178.44 178.24 1w2q h MET 103 N 0.00 0.00 0.08 1.25 2.86 -0.73 -3.10 114.93 115.28 1w2q h MET 103 Ca -0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 1w2q h MET 103 Cb 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1w2q h MET 103 CO 0.01 0.24 -1.27 0.66 1.06 0.00 0.00 176.91 177.61 1w2q h SER 104 N 0.00 0.26 -0.49 1.22 4.64 -0.77 -3.33 113.55 115.07 1w2q h SER 104 Ca -0.00 -0.30 0.10 0.00 -0.47 0.00 0.00 61.79 61.11 1w2q h SER 104 Cb 0.92 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 62.84 1w2q h SER 104 CO 0.03 1.25 -0.06 -0.07 -0.87 0.00 0.00 176.83 177.10 1w2q h LEU 105 N 0.04 -0.34 0.00 5.97 3.38 -1.36 0.55 115.31 123.55 1w2q h LEU 105 Ca -0.13 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w2q h LEU 105 Cb 1.93 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.94 1w2q h LEU 105 CO 0.16 -0.12 0.00 -0.81 0.09 0.00 0.00 178.44 177.76 1w2q n PRO 106 N -5.30 0.23 -0.13 1.13 -0.04 -1.25 -2.73 135.00 126.91 1w2q n PRO 106 Ca 0.05 0.12 -0.24 0.00 -0.04 0.00 0.00 63.50 63.39 1w2q n PRO 106 Cb 0.27 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 1w2q n PRO 106 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1w2q n GLN 107 N -1.18 0.57 0.06 0.54 6.02 0.18 -1.44 117.38 122.13 1w2q n GLN 107 Ca 0.06 0.21 0.21 0.00 -0.01 0.00 0.00 57.00 57.47 1w2q n GLN 107 Cb 0.07 -1.45 0.74 0.00 1.02 0.00 0.00 30.24 30.62 1w2q n GLN 107 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1w2q h GLN 108 N -0.59 0.00 0.00 -1.09 4.20 -0.88 0.52 115.11 117.27 1w2q h GLN 108 Ca -0.62 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.09 1w2q h GLN 108 Cb 1.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.46 1w2q h GLN 108 CO -0.29 0.00 -0.51 0.00 -0.67 0.00 0.00 178.83 177.37 1w2q n ASN 110 N -1.26 -2.99 0.07 0.00 5.03 0.17 -4.91 115.26 111.38 1w2q n ASN 110 Ca 0.02 -0.52 -0.08 0.00 0.87 0.00 0.00 54.58 54.87 1w2q n ASN 110 Cb 0.15 -4.53 -0.10 0.00 -1.02 0.00 0.00 39.78 34.28 1w2q n ASN 110 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1w2q h PHE 111 N -1.84 0.05 -3.71 3.10 0.04 -1.53 -3.44 116.94 109.60 1w2q h PHE 111 Ca -0.51 -0.04 -0.50 0.00 2.80 0.00 0.00 57.97 59.72 1w2q h PHE 111 Cb 1.30 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 1w2q h PHE 111 CO 0.40 1.00 0.39 1.03 -0.60 0.00 0.00 178.31 180.53 1w2q s ARG 112 N -2.77 4.77 -0.01 1.51 0.52 -1.24 -4.86 118.95 116.87 1w2q s ARG 112 Ca 0.00 1.56 -0.10 0.00 -0.52 0.00 0.00 55.73 56.68 1w2q s ARG 112 Cb 0.10 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.30 1w2q s ARG 112 CO 0.82 0.38 0.20 0.00 0.02 0.00 0.00 175.30 176.72 1w2q s ALA 113 N -0.91 -0.50 -1.48 2.13 0.00 -1.26 -5.02 121.76 114.73 1w2q s ALA 113 Ca 0.43 0.10 0.16 0.00 0.00 0.00 0.00 51.96 52.65 1w2q s ALA 113 Cb -0.27 0.04 0.80 0.00 0.00 0.00 0.00 23.12 23.68 1w2q s ALA 113 CO 0.34 -0.21 1.43 -0.35 0.00 0.00 0.00 175.76 176.96 1w2q n PRO 114 N 1.59 0.24 0.10 0.00 -0.04 -1.26 -2.72 135.00 132.92 1w2q n PRO 114 Ca -0.21 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1w2q n PRO 114 Cb 0.56 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.56 1w2q n PRO 114 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1w2q h GLN 115 N 0.00 0.02 -3.26 0.54 4.20 -2.01 -3.45 115.11 111.15 1w2q h GLN 115 Ca 0.00 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1w2q h GLN 115 Cb 0.13 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.85 1w2q h GLN 115 CO 0.00 0.80 0.08 1.03 -0.67 0.00 0.00 178.83 180.08 1w2q s ARG 116 N -3.22 1.64 -0.72 1.46 0.52 -1.10 -4.89 118.95 112.64 1w2q s ARG 116 Ca -0.01 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 1w2q s ARG 116 Cb 0.11 0.55 0.00 0.00 0.52 0.00 0.00 34.95 36.13 1w2q s ARG 116 CO 0.79 -0.72 0.00 0.00 0.02 0.00 0.00 175.30 175.39 1w2q h ASP 118 N 0.00 0.00 0.63 0.00 5.19 -1.87 -2.66 116.42 117.70 1w2q h ASP 118 Ca -0.14 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.00 1w2q h ASP 118 Cb 0.81 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1w2q h ASP 118 CO 0.20 0.23 -1.35 -0.07 -3.12 0.00 0.00 179.24 175.14 1w2q h LEU 119 N 0.00 0.29 -0.84 1.55 4.07 -1.97 -3.47 115.31 114.93 1w2q h LEU 119 Ca -0.00 -0.36 -0.49 0.00 0.08 0.00 0.00 57.88 57.11 1w2q h LEU 119 Cb 0.51 -0.09 -0.09 0.00 1.08 0.00 0.00 40.66 42.07 1w2q h LEU 119 CO 0.03 1.29 -0.76 0.47 -1.08 0.00 0.00 178.44 178.39 1w2q n ASP 120 N -3.42 -4.35 -0.13 -0.43 8.00 -1.01 -4.84 116.55 110.37 1w2q n ASP 120 Ca -0.11 -0.80 -0.09 0.00 0.71 0.00 0.00 54.79 54.50 1w2q n ASP 120 Cb 1.02 -3.50 -0.01 0.00 -0.02 0.00 0.00 41.12 38.60 1w2q n ASP 120 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1w2q h VAL 121 N -1.81 1.19 -4.17 2.53 2.07 -1.92 -3.43 116.25 110.72 1w2q h VAL 121 Ca -0.57 -0.58 -0.49 0.00 0.82 0.00 0.00 66.70 65.88 1w2q h VAL 121 Cb 1.37 0.86 0.06 0.00 -1.52 0.00 0.00 31.29 32.06 1w2q h VAL 121 CO 0.69 0.21 0.38 -0.94 0.02 0.00 0.00 177.57 177.93 1w2q s SER 122 N -5.82 5.87 0.00 0.57 1.04 -1.26 -4.89 113.70 109.21 1w2q s SER 122 Ca -0.13 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1w2q s SER 122 Cb 0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1w2q s SER 122 CO 0.75 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1w2q n GLY 123 N -0.80 2.09 1.52 7.32 0.00 -1.26 -5.00 105.19 109.07 1w2q n GLY 123 Ca 0.09 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1w2q n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2q n GLY 124 N 1.91 0.56 0.25 -0.02 0.00 -1.26 -4.94 105.19 101.70 1w2q n GLY 124 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 1w2q n GLY 124 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w2q h ARG 125 N 0.66 0.74 0.00 1.61 3.08 -1.96 -2.30 114.38 116.21 1w2q h ARG 125 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1w2q h ARG 125 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1w2q h ARG 125 CO 0.00 0.95 0.00 0.00 -1.07 0.00 0.00 179.97 179.85