#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2q n PRO 2 N 0.00 0.10 -4.12 1.61 -0.04 -1.26 -4.72 135.00 126.57 1w2q n PRO 2 Ca 0.00 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.46 1w2q n PRO 2 Cb 0.00 -1.68 -0.07 0.00 -0.04 0.00 0.00 33.50 31.70 1w2q n PRO 2 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1w2q s MET 3 N -3.15 2.78 0.17 0.54 -1.94 -1.26 -5.12 119.30 111.32 1w2q s MET 3 Ca 0.06 -0.70 0.08 0.00 -1.71 0.00 0.00 55.69 53.43 1w2q s MET 3 Cb 0.10 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 1w2q s MET 3 CO 0.35 0.58 -0.09 1.03 -0.01 0.00 0.00 175.02 176.88 1w2q s ARG 4 N -2.17 2.09 0.62 2.03 0.52 -1.26 -5.00 118.95 115.78 1w2q s ARG 4 Ca 0.26 -1.21 0.40 0.00 -0.52 0.00 0.00 55.73 54.65 1w2q s ARG 4 Cb -0.12 -2.20 2.00 0.00 0.52 0.00 0.00 34.95 35.15 1w2q s ARG 4 CO 0.18 0.45 2.22 0.00 0.02 0.00 0.00 175.30 178.17 1w2q h ARG 5 N 3.02 0.00 -0.35 3.54 3.08 -1.99 -2.09 114.38 119.60 1w2q h ARG 5 Ca -0.47 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.47 1w2q h ARG 5 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1w2q h ARG 5 CO 0.54 0.01 -0.22 1.49 -1.07 0.00 0.00 179.97 180.71 1w2q h GLU 6 N 0.00 0.68 -5.26 0.04 4.81 -2.05 -3.46 114.58 109.35 1w2q h GLU 6 Ca -0.00 -0.27 -0.53 0.00 -0.13 0.00 0.00 59.36 58.43 1w2q h GLU 6 Cb 0.20 -0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.41 1w2q h GLU 6 CO 0.00 0.85 -0.58 1.03 -0.73 0.00 0.00 179.01 179.58 1w2q s ARG 7 N -4.59 1.80 0.00 1.92 0.52 -0.78 -4.80 118.95 113.03 1w2q s ARG 7 Ca -0.09 -2.04 0.00 0.00 -0.52 0.00 0.00 55.73 53.08 1w2q s ARG 7 Cb 0.13 -1.01 0.00 0.00 0.52 0.00 0.00 34.95 34.59 1w2q s ARG 7 CO 0.82 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 176.32 1w2q n GLY 8 N -0.83 0.60 0.39 -3.53 0.00 -1.26 -4.26 105.19 96.30 1w2q n GLY 8 Ca -0.05 -0.77 0.21 0.00 0.00 0.00 0.00 46.02 45.41 1w2q n GLY 8 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w2q h ARG 9 N 0.00 0.03 -6.95 1.61 3.08 -1.88 -3.41 114.38 106.87 1w2q h ARG 9 Ca 0.00 -0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1w2q h ARG 9 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1w2q h ARG 9 CO 0.00 0.02 0.30 -0.65 -1.07 0.00 0.00 179.97 178.57 1w2q s GLN 10 N -5.04 4.30 0.00 0.04 -0.21 -1.26 -4.79 119.66 112.70 1w2q s GLN 10 Ca -0.05 1.11 0.00 0.00 0.02 0.00 0.00 55.36 56.44 1w2q s GLN 10 Cb 0.20 -2.41 0.00 0.00 1.00 0.00 0.00 33.01 31.80 1w2q s GLN 10 CO 0.74 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 174.41 1w2q n GLY 11 N -0.22 3.86 0.32 3.09 0.00 -1.26 -4.75 105.19 106.23 1w2q n GLY 11 Ca 0.05 -1.38 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 1w2q n GLY 11 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1w2q h ASP 12 N 0.00 0.97 -0.99 1.61 2.03 -1.96 -1.92 116.42 116.16 1w2q h ASP 12 Ca 0.00 -0.04 0.19 0.00 -0.73 0.00 0.00 57.03 56.45 1w2q h ASP 12 Cb 0.00 -0.24 -0.11 0.00 -0.83 0.00 0.00 39.33 38.15 1w2q h ASP 12 CO 0.00 0.72 0.59 0.28 -1.03 0.00 0.00 179.24 179.80 1w2q h SER 13 N 1.14 0.74 -0.52 4.15 0.02 -1.97 0.42 113.55 117.52 1w2q h SER 13 Ca 0.30 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.41 1w2q h SER 13 Cb -0.10 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1w2q h SER 13 CO -0.06 0.25 0.35 0.28 -1.14 0.00 0.00 176.83 176.50 1w2q h SER 14 N 0.73 0.44 -0.64 3.07 0.02 -1.64 -0.16 113.55 115.37 1w2q h SER 14 Ca 0.57 -0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.71 1w2q h SER 14 Cb 0.91 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 1w2q h SER 14 CO -0.39 0.29 0.51 0.28 -1.14 0.00 0.00 176.83 176.38 1w2q h SER 15 N 0.50 0.00 0.06 3.07 0.02 -0.16 -1.58 113.55 115.46 1w2q h SER 15 Ca 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1w2q h SER 15 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1w2q h SER 15 CO -0.06 0.00 -0.03 0.00 -1.14 0.00 0.00 176.83 175.60 1w2q h GLU 17 N -0.09 0.00 0.00 0.00 5.08 -1.60 0.85 114.58 118.82 1w2q h GLU 17 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1w2q h GLU 17 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1w2q h GLU 17 CO 0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.85 1w2q h ARG 18 N 0.00 0.00 -0.00 2.33 3.08 -0.91 -2.96 114.38 115.91 1w2q h ARG 18 Ca 0.03 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 1w2q h ARG 18 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1w2q h ARG 18 CO -0.00 0.17 -0.75 0.37 -1.07 0.00 0.00 179.97 178.69 1w2q h GLN 19 N 0.00 0.02 -0.34 0.04 5.75 0.12 -3.06 115.11 117.65 1w2q h GLN 19 Ca -0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1w2q h GLN 19 Cb 0.84 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1w2q h GLN 19 CO 0.02 0.76 0.06 0.28 -2.65 0.00 0.00 178.83 177.31 1w2q h VAL 20 N 0.02 1.17 0.00 2.39 2.07 -1.54 -0.43 116.25 119.92 1w2q h VAL 20 Ca -0.01 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1w2q h VAL 20 Cb 1.33 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1w2q h VAL 20 CO 0.10 0.22 0.00 0.44 0.02 0.00 0.00 177.57 178.35 1w2q h ASP 21 N 0.49 0.00 0.00 0.57 3.32 -1.61 -0.55 116.42 118.64 1w2q h ASP 21 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1w2q h ASP 21 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1w2q h ASP 21 CO -0.00 0.00 -1.16 0.54 -1.72 0.00 0.00 179.24 176.90 1w2q n ARG 22 N -3.01 0.26 0.00 3.56 1.74 -0.23 -4.70 116.66 114.28 1w2q n ARG 22 Ca -0.02 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1w2q n ARG 22 Cb 0.12 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1w2q n ARG 22 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1w2q n VAL 23 N -1.62 0.00 -3.82 1.55 0.31 -0.21 -4.83 118.33 109.70 1w2q n VAL 23 Ca 0.02 0.59 -0.33 0.00 -0.01 0.00 0.00 64.34 64.62 1w2q n VAL 23 Cb 0.36 -1.47 0.02 0.00 -0.91 0.00 0.00 33.84 31.85 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 -0.12 -3.89 -3.67 4.52 5.03 -1.26 -4.84 115.26 111.03 1w2q n ASN 24 Ca 0.00 -1.07 -0.41 0.00 0.87 0.00 0.00 54.58 53.97 1w2q n ASN 24 Cb 0.00 -2.97 0.01 0.00 -1.02 0.00 0.00 39.78 35.80 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 -4.40 7.33 -0.15 3.41 4.32 -1.26 -4.73 117.00 121.53 1w2q n LEU 25 Ca -0.15 -5.23 -0.09 0.00 -0.02 0.00 0.00 56.01 50.53 1w2q n LEU 25 Cb 0.61 -1.24 0.05 0.00 -1.62 0.00 0.00 43.42 41.22 1w2q n LEU 25 CO 0.71 1.97 0.76 0.11 -1.22 0.00 0.00 177.39 179.71 1w2q h LYS 26 N 4.55 0.94 -0.39 3.23 6.56 -1.97 -2.74 116.57 126.75 1w2q h LYS 26 Ca 0.51 -0.34 -0.10 0.00 -1.06 0.00 0.00 60.65 59.66 1w2q h LYS 26 Cb 0.38 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.96 1w2q h LYS 26 CO 1.29 1.00 -0.17 -1.00 -2.06 0.00 0.00 179.45 178.51 1w2q h PRO 27 N 0.84 0.74 0.60 3.15 0.13 -1.96 -2.11 132.00 133.38 1w2q h PRO 27 Ca 0.13 -0.27 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1w2q h PRO 27 Cb 0.66 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.74 1w2q h PRO 27 CO 0.05 0.86 -0.29 0.00 -0.23 0.00 0.00 178.00 178.39 1w2q h GLU 29 N -1.01 0.13 0.00 0.00 4.81 -1.48 1.07 114.58 118.10 1w2q h GLU 29 Ca -0.08 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1w2q h GLU 29 Cb 0.67 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1w2q h GLU 29 CO 0.13 0.08 -0.33 0.37 -0.73 0.00 0.00 179.01 178.54 1w2q h GLN 30 N 0.13 0.00 0.00 1.92 5.75 -0.65 0.19 115.11 122.45 1w2q h GLN 30 Ca 0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.00 1w2q h GLN 30 Cb 1.75 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.30 1w2q h GLN 30 CO -0.09 0.33 0.00 1.25 -2.65 0.00 0.00 178.83 177.67 1w2q h HIS 31 N 0.00 0.00 0.07 3.99 2.76 0.19 -2.60 115.15 119.56 1w2q h HIS 31 Ca -0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 1w2q h HIS 31 Cb 0.74 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 1w2q h HIS 31 CO 0.00 0.00 -1.83 -0.89 -1.30 0.00 0.00 177.93 173.91 1w2q n ILE 32 N -2.92 1.67 -0.03 6.26 5.41 -0.75 -3.63 119.36 125.37 1w2q n ILE 32 Ca 0.04 -0.44 0.01 0.00 1.00 0.00 0.00 62.75 63.36 1w2q n ILE 32 Cb 0.48 -1.82 0.33 0.00 -0.71 0.00 0.00 39.64 37.92 1w2q n ILE 32 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1w2q h MET 33 N -0.32 0.61 -0.01 0.38 2.86 -0.70 -2.50 114.93 115.24 1w2q h MET 33 Ca -0.43 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1w2q h MET 33 Cb 1.78 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.32 1w2q h MET 33 CO -0.04 0.51 0.00 0.37 1.06 0.00 0.00 176.91 178.81 1w2q h GLN 34 N 0.60 0.01 0.20 1.72 4.15 -1.62 -1.86 115.11 118.32 1w2q h GLN 34 Ca 0.15 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1w2q h GLN 34 Cb 0.13 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 1w2q h GLN 34 CO -0.01 0.20 -0.14 0.00 -1.93 0.00 0.00 178.83 176.95 1w2q h ARG 35 N -0.19 -0.32 -1.18 1.69 3.08 -1.55 -2.13 114.38 113.78 1w2q h ARG 35 Ca 0.00 0.02 0.38 0.00 0.07 0.00 0.00 59.98 60.46 1w2q h ARG 35 Cb 0.20 0.07 -0.13 0.00 0.08 0.00 0.00 29.97 30.19 1w2q h ARG 35 CO -0.00 -0.21 0.74 -0.84 -1.07 0.00 0.00 179.97 178.59 1w2q h ILE 36 N -0.33 0.21 -0.46 2.04 3.07 -1.53 1.39 117.51 121.90 1w2q h ILE 36 Ca -0.03 -0.06 0.02 0.00 1.55 0.00 0.00 64.86 66.34 1w2q h ILE 36 Cb 0.27 0.02 -0.02 0.00 -0.27 0.00 0.00 36.82 36.82 1w2q h ILE 36 CO 0.01 0.03 0.31 0.24 -1.05 0.00 0.00 178.15 177.69 1w2q h MET 37 N 0.18 0.56 -0.15 0.16 2.86 -0.68 -0.57 114.93 117.29 1w2q h MET 37 Ca 0.77 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 58.36 1w2q h MET 37 Cb 2.19 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.72 1w2q h MET 37 CO -0.46 0.37 0.04 0.78 1.06 0.00 0.00 176.91 178.69 1w2q h GLY 38 N 0.58 0.22 2.00 8.32 0.00 0.23 -0.86 103.07 113.55 1w2q h GLY 38 Ca 0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 1w2q h GLY 38 CO -0.04 0.09 -0.43 0.83 0.00 0.00 0.00 176.54 176.99 1w2q h GLU 39 N 0.21 0.00 -0.19 4.80 5.08 -1.10 -3.19 114.58 120.20 1w2q h GLU 39 Ca 0.05 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1w2q h GLU 39 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1w2q h GLU 39 CO -0.00 0.43 -0.38 1.96 -1.00 0.00 0.00 179.01 180.02 1w2q h GLN 40 N 0.00 0.41 -0.60 2.33 4.20 -0.81 -2.84 115.11 117.80 1w2q h GLN 40 Ca -0.00 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1w2q h GLN 40 Cb 1.26 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 1w2q h GLN 40 CO 0.06 0.74 0.25 0.93 -0.67 0.00 0.00 178.83 180.14 1w2q h GLU 41 N 0.35 0.87 -4.29 1.46 5.08 -1.48 -3.42 114.58 113.14 1w2q h GLU 41 Ca 0.03 -0.13 -0.37 0.00 -1.00 0.00 0.00 59.36 57.89 1w2q h GLU 41 Cb 0.83 -0.16 -0.31 0.00 0.50 0.00 0.00 28.75 29.62 1w2q h GLU 41 CO 0.07 0.70 -0.77 -0.65 -1.00 0.00 0.00 179.01 177.36 1w2q s GLN 42 N -5.43 0.65 -0.08 2.33 -0.21 -1.07 -5.02 119.66 110.83 1w2q s GLN 42 Ca -0.10 -0.18 0.12 0.00 0.02 0.00 0.00 55.36 55.21 1w2q s GLN 42 Cb 0.16 -0.64 -0.17 0.00 1.00 0.00 0.00 33.01 33.36 1w2q s GLN 42 CO 0.79 0.06 0.14 2.48 -2.12 0.00 0.00 175.29 176.64 1w2q n TYR 43 N 3.36 0.00 0.01 0.91 4.11 -1.26 -4.46 117.16 119.83 1w2q n TYR 43 Ca -0.18 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.74 1w2q n TYR 43 Cb 0.55 -0.46 0.36 0.00 -0.00 0.00 0.00 39.34 39.79 1w2q n TYR 43 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 1w2q h ASP 44 N 0.00 0.47 -4.44 9.48 2.03 -1.95 -3.42 116.42 118.58 1w2q h ASP 44 Ca -0.19 -0.05 -0.29 0.00 -0.73 0.00 0.00 57.03 55.77 1w2q h ASP 44 Cb 1.25 -0.12 -0.24 0.00 -0.83 0.00 0.00 39.33 39.40 1w2q h ASP 44 CO 0.01 0.45 -0.74 -0.55 -1.03 0.00 0.00 179.24 177.37 1w2q s SER 45 N -6.72 0.78 -0.08 4.15 0.15 -1.26 -5.15 113.70 105.57 1w2q s SER 45 Ca -0.08 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.21 1w2q s SER 45 Cb 0.16 -0.00 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 1w2q s SER 45 CO 0.75 -0.10 -0.13 -0.31 1.20 0.00 0.00 173.24 174.65 1w2q s TYR 46 N -0.91 2.77 0.16 3.44 2.02 -1.26 -4.74 117.35 118.82 1w2q s TYR 46 Ca -0.05 -0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 56.22 1w2q s TYR 46 Cb -0.07 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1w2q s TYR 46 CO 0.00 0.09 0.42 0.34 -1.57 0.00 0.00 175.55 174.83 1w2q s ASP 47 N -0.41 -0.19 -0.12 2.29 2.15 -1.26 -5.11 116.67 114.02 1w2q s ASP 47 Ca 0.05 -0.47 -0.01 0.00 0.43 0.00 0.00 52.55 52.54 1w2q s ASP 47 Cb -0.12 0.51 -0.02 0.00 -0.30 0.00 0.00 42.92 42.98 1w2q s ASP 47 CO 0.02 -0.93 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.38 1w2q s ILE 48 N -3.86 3.56 0.00 4.11 -1.09 -1.26 -4.50 121.20 118.17 1w2q s ILE 48 Ca 0.08 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 58.05 1w2q s ILE 48 Cb 0.01 -2.51 -0.02 0.00 -1.58 0.00 0.00 42.46 38.36 1w2q s ILE 48 CO -0.07 0.53 -0.16 -0.60 -1.23 0.00 0.00 174.94 173.41 1w2q s ARG 49 N 0.05 1.23 0.14 2.79 3.52 -1.26 -5.15 118.95 120.28 1w2q s ARG 49 Ca -0.02 -0.65 0.06 0.00 -0.13 0.00 0.00 55.73 54.99 1w2q s ARG 49 Cb -0.14 -1.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.99 1w2q s ARG 49 CO 0.03 0.33 -0.13 -1.54 -0.81 0.00 0.00 175.30 173.18 1w2q s SER 50 N -0.61 2.06 0.21 -2.12 1.04 -1.26 -4.76 113.70 108.27 1w2q s SER 50 Ca 0.05 -0.88 0.11 0.00 0.48 0.00 0.00 55.95 55.71 1w2q s SER 50 Cb -0.07 -0.07 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 1w2q s SER 50 CO 0.00 -0.18 -0.21 0.42 0.98 0.00 0.00 173.24 174.25 1w2q s THR 51 N -2.48 2.24 0.25 2.02 -4.23 -1.26 -5.00 115.64 107.19 1w2q s THR 51 Ca 0.12 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1w2q s THR 51 Cb -0.03 -2.11 0.25 0.00 1.34 0.00 0.00 72.50 71.94 1w2q s THR 51 CO 0.03 -0.28 1.69 0.03 -0.54 0.00 0.00 174.62 175.55 1w2q h ARG 52 N 2.88 0.31 -0.33 3.99 3.08 -2.03 0.77 114.38 123.05 1w2q h ARG 52 Ca -0.43 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.70 1w2q h ARG 52 Cb 1.22 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1w2q h ARG 52 CO 0.53 0.20 0.26 0.66 -1.07 0.00 0.00 179.97 180.55 1w2q h SER 53 N 0.32 0.00 -0.64 7.04 4.64 -2.04 0.27 113.55 123.13 1w2q h SER 53 Ca 0.45 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.89 1w2q h SER 53 Cb 0.77 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.83 1w2q h SER 53 CO -0.51 0.00 0.43 0.28 -0.87 0.00 0.00 176.83 176.17 1w2q h SER 54 N 0.00 0.32 -0.79 4.97 0.02 0.19 0.84 113.55 119.10 1w2q h SER 54 Ca 0.16 0.01 0.23 0.00 -0.84 0.00 0.00 61.79 61.35 1w2q h SER 54 Cb 0.66 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1w2q h SER 54 CO -0.00 0.18 0.64 0.44 -1.14 0.00 0.00 176.83 176.95 1w2q h ASP 55 N 0.35 0.00 -0.27 3.07 3.32 -0.99 0.22 116.42 122.12 1w2q h ASP 55 Ca 0.31 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.27 1w2q h ASP 55 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1w2q h ASP 55 CO -0.08 0.00 -0.18 -0.61 -1.72 0.00 0.00 179.24 176.65 1w2q h GLN 56 N 0.00 0.61 -0.26 3.56 5.75 -1.00 -2.80 115.11 120.96 1w2q h GLN 56 Ca 0.37 -0.29 0.05 0.00 -0.15 0.00 0.00 58.65 58.63 1w2q h GLN 56 Cb 1.66 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.19 1w2q h GLN 56 CO -0.00 0.87 0.18 1.96 -2.65 0.00 0.00 178.83 179.19 1w2q h GLN 57 N 0.34 0.15 -0.84 1.69 4.20 -0.67 -0.80 115.11 119.17 1w2q h GLN 57 Ca 0.05 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.94 1w2q h GLN 57 Cb 0.72 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 1w2q h GLN 57 CO 0.05 0.10 0.56 0.37 -0.67 0.00 0.00 178.83 179.23 1w2q h GLN 58 N 0.15 0.40 -0.96 1.46 4.15 -1.24 0.10 115.11 119.17 1w2q h GLN 58 Ca 0.12 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.70 1w2q h GLN 58 Cb 0.27 -0.09 -0.09 0.00 0.21 0.00 0.00 27.48 27.79 1w2q h GLN 58 CO -0.02 0.26 0.61 -0.09 -1.93 0.00 0.00 178.83 177.67 1w2q h ARG 59 N 0.41 0.62 0.00 1.69 2.43 -1.25 -2.20 114.38 116.09 1w2q h ARG 59 Ca 0.42 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1w2q h ARG 59 Cb 1.03 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1w2q h ARG 59 CO -0.15 0.41 0.00 0.00 -1.51 0.00 0.00 179.97 178.72 1w2q h ASP 62 N 0.07 0.68 -0.06 0.00 3.32 -0.47 -0.01 116.42 119.96 1w2q h ASP 62 Ca 0.70 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.78 1w2q h ASP 62 Cb 1.63 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.10 1w2q h ASP 62 CO -0.79 0.32 -0.04 -0.08 -1.72 0.00 0.00 179.24 176.92 1w2q h GLU 63 N 0.71 0.13 0.00 3.56 4.81 0.90 -2.21 114.58 122.48 1w2q h GLU 63 Ca 0.49 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1w2q h GLU 63 Cb 0.79 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1w2q h GLU 63 CO -0.24 0.55 0.03 -0.11 -0.73 0.00 0.00 179.01 178.51 1w2q n LEU 64 N -4.76 0.31 0.17 1.64 7.94 -0.28 0.17 117.00 122.19 1w2q n LEU 64 Ca -0.07 0.63 0.03 0.00 -1.11 0.00 0.00 56.01 55.49 1w2q n LEU 64 Cb 0.27 -0.66 0.31 0.00 0.53 0.00 0.00 43.42 43.87 1w2q n LEU 64 CO 0.35 -0.73 0.64 0.78 -1.11 0.00 0.00 177.39 177.32 1w2q h ASN 65 N 0.00 0.00 0.00 1.96 4.21 -0.40 -3.44 115.58 117.91 1w2q h ASN 65 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1w2q h ASN 65 Cb 0.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1w2q h ASN 65 CO 0.00 0.44 0.00 1.21 -1.29 0.00 0.00 177.43 177.79 1w2q n GLU 66 N -3.71 0.00 0.15 0.81 2.13 0.27 -4.96 120.64 115.34 1w2q n GLU 66 Ca -0.01 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.85 1w2q n GLU 66 Cb 0.51 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.34 1w2q n GLU 66 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1w2q h MET 67 N 0.00 0.00 -0.01 5.31 2.86 -0.25 -2.97 114.93 119.87 1w2q h MET 67 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1w2q h MET 67 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1w2q h MET 67 CO 0.00 0.46 0.00 -1.91 1.06 0.00 0.00 176.91 176.52 1w2q n GLU 68 N -3.30 1.04 -3.89 1.72 2.13 0.45 -4.91 120.64 113.88 1w2q n GLU 68 Ca 0.01 -0.06 -0.39 0.00 0.66 0.00 0.00 57.16 57.39 1w2q n GLU 68 Cb 0.67 -1.40 0.03 0.00 0.27 0.00 0.00 31.44 31.01 1w2q n GLU 68 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1w2q n ASN 69 N -0.83 -4.42 -4.83 4.31 3.02 -1.12 -4.92 115.26 106.48 1w2q n ASN 69 Ca 0.19 -1.16 -0.29 0.00 -0.03 0.00 0.00 54.58 53.29 1w2q n ASN 69 Cb 0.10 -2.52 0.12 0.00 -0.61 0.00 0.00 39.78 36.87 1w2q n ASN 69 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1w2q s THR 70 N -3.54 2.00 0.00 3.41 -4.23 -1.26 -5.00 115.64 107.02 1w2q s THR 70 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1w2q s THR 70 Cb -0.21 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1w2q s THR 70 CO 0.92 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 175.00 1w2q n GLN 71 N -3.57 0.00 -3.16 3.99 6.02 -1.26 -5.11 117.38 114.28 1w2q n GLN 71 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1w2q n GLN 71 Cb 0.60 -0.21 0.00 0.00 1.02 0.00 0.00 30.24 31.65 1w2q n GLN 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1w2q n GLY 72 N 1.11 -1.11 2.52 1.08 0.00 -1.26 -5.01 105.19 102.51 1w2q n GLY 72 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 1w2q n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2q h MET 74 N -0.71 -0.32 -0.60 0.00 2.86 -1.95 -0.03 114.93 114.18 1w2q h MET 74 Ca -0.35 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1w2q h MET 74 Cb 1.25 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.87 1w2q h MET 74 CO 0.39 -0.22 -0.12 0.00 1.06 0.00 0.00 176.91 178.02 1w2q h GLU 76 N 0.02 0.00 0.03 0.00 4.81 -1.43 -0.78 114.58 117.23 1w2q h GLU 76 Ca 0.30 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1w2q h GLU 76 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1w2q h GLU 76 CO -0.60 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 177.67 1w2q h ALA 77 N 2.02 -0.04 -0.68 2.92 0.00 0.35 -2.34 119.26 121.49 1w2q h ALA 77 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1w2q h ALA 77 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1w2q h ALA 77 CO 0.00 -0.05 0.39 -0.07 0.00 0.00 0.00 179.25 179.52 1w2q h LEU 78 N -0.98 0.84 -1.03 0.00 -0.00 -0.96 -1.91 115.31 111.25 1w2q h LEU 78 Ca -0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.82 1w2q h LEU 78 Cb 0.51 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 40.90 1w2q h LEU 78 CO 0.01 0.67 0.65 1.56 -0.00 0.00 0.00 178.44 181.33 1w2q h GLN 79 N 0.93 1.25 -0.63 1.13 4.20 -1.27 -1.86 115.11 118.86 1w2q h GLN 79 Ca 0.24 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1w2q h GLN 79 Cb 0.01 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 27.48 1w2q h GLN 79 CO -0.04 0.83 0.35 0.37 -0.67 0.00 0.00 178.83 179.67 1w2q h GLN 80 N 1.29 0.88 0.15 1.46 5.75 -0.79 -2.24 115.11 121.61 1w2q h GLN 80 Ca 0.38 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.80 1w2q h GLN 80 Cb -0.07 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.27 1w2q h GLN 80 CO -0.10 0.66 -0.35 0.82 -2.65 0.00 0.00 178.83 177.20 1w2q h ILE 81 N 0.86 0.27 -0.50 2.39 2.04 -0.76 0.36 117.51 122.17 1w2q h ILE 81 Ca 0.22 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.18 1w2q h ILE 81 Cb 0.03 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 36.28 1w2q h ILE 81 CO -0.04 0.00 -0.12 0.24 0.00 0.00 0.00 178.15 178.23 1w2q h MET 82 N -0.60 0.00 0.00 2.37 2.86 -1.27 1.17 114.93 119.47 1w2q h MET 82 Ca 0.02 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1w2q h MET 82 Cb 0.62 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1w2q h MET 82 CO -0.19 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.18 1w2q n GLU 83 N -5.35 0.02 0.11 1.72 1.02 -0.79 0.21 120.64 117.58 1w2q n GLU 83 Ca 0.04 0.30 0.06 0.00 -0.02 0.00 0.00 57.16 57.54 1w2q n GLU 83 Cb 0.26 -1.54 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 1w2q n GLU 83 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1w2q h ASN 84 N 0.00 0.00 0.00 1.62 -0.73 0.55 -3.41 115.58 113.61 1w2q h ASN 84 Ca 0.00 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.01 1w2q h ASN 84 Cb 0.23 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 38.69 1w2q h ASN 84 CO 0.00 0.27 -0.24 0.00 -0.37 0.00 0.00 177.43 177.09 1w2q n GLN 85 N -2.92 1.19 0.00 6.67 6.02 -0.60 -4.93 117.38 122.80 1w2q n GLN 85 Ca -0.02 -1.17 0.14 0.00 -0.01 0.00 0.00 57.00 55.94 1w2q n GLN 85 Cb 0.67 0.31 0.51 0.00 1.02 0.00 0.00 30.24 32.76 1w2q n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1w2q h ASP 87 N 0.41 0.00 1.39 0.00 3.32 -1.92 1.36 116.42 120.98 1w2q h ASP 87 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1w2q h ASP 87 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1w2q h ASP 87 CO 0.00 0.00 -0.20 0.03 -1.72 0.00 0.00 179.24 177.35 1w2q h ARG 88 N 0.00 0.00 0.00 3.56 3.08 -1.96 -2.93 114.38 116.13 1w2q h ARG 88 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1w2q h ARG 88 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1w2q h ARG 88 CO -0.00 0.20 0.00 1.28 -1.07 0.00 0.00 179.97 180.38 1w2q n LEU 89 N -3.22 0.52 -0.58 3.04 4.77 0.47 -2.77 117.00 119.23 1w2q n LEU 89 Ca 0.02 0.69 0.47 0.00 -0.03 0.00 0.00 56.01 57.16 1w2q n LEU 89 Cb 0.52 -0.69 0.79 0.00 -2.33 0.00 0.00 43.42 41.70 1w2q n LEU 89 CO 0.34 -0.73 1.42 -0.61 -1.33 0.00 0.00 177.39 176.48 1w2q h GLN 90 N 0.00 0.01 -6.34 3.23 4.15 -1.62 -3.36 115.11 111.18 1w2q h GLN 90 Ca 0.00 -0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 1w2q h GLN 90 Cb 0.15 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1w2q h GLN 90 CO 0.00 0.01 0.55 0.34 -1.93 0.00 0.00 178.83 177.79 1w2q s ASP 91 N -4.29 7.21 0.00 -0.69 2.15 -1.11 -4.88 116.67 115.05 1w2q s ASP 91 Ca -0.05 1.69 0.11 0.00 0.43 0.00 0.00 52.55 54.73 1w2q s ASP 91 Cb 0.26 -2.56 0.51 0.00 -0.30 0.00 0.00 42.92 40.83 1w2q s ASP 91 CO 0.87 -0.43 1.29 0.54 -0.17 0.00 0.00 175.17 177.27 1w2q n ARG 92 N 4.63 0.08 -0.03 4.34 1.74 -1.26 -1.87 116.66 124.29 1w2q n ARG 92 Ca 0.09 0.25 -0.22 0.00 -0.77 0.00 0.00 57.85 57.19 1w2q n ARG 92 Cb 0.48 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.29 1w2q n ARG 92 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1w2q n GLN 93 N -1.39 0.69 -0.04 5.56 6.02 -1.26 -3.97 117.38 123.00 1w2q n GLN 93 Ca 0.04 0.37 -0.14 0.00 -0.01 0.00 0.00 57.00 57.26 1w2q n GLN 93 Cb 0.11 -1.72 -0.11 0.00 1.02 0.00 0.00 30.24 29.54 1w2q n GLN 93 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1w2q h MET 94 N -0.31 0.06 -1.00 -1.09 4.05 -1.81 -2.79 114.93 112.04 1w2q h MET 94 Ca -0.41 -0.05 0.35 0.00 -0.28 0.00 0.00 59.70 59.31 1w2q h MET 94 Cb 1.78 0.01 -0.16 0.00 -0.80 0.00 0.00 31.60 32.44 1w2q h MET 94 CO -0.02 0.75 0.56 -0.24 0.23 0.00 0.00 176.91 178.18 1w2q h VAL 95 N -0.61 0.22 0.31 -5.77 3.04 -1.52 1.29 116.25 113.21 1w2q h VAL 95 Ca -0.01 -0.08 -0.02 0.00 -1.01 0.00 0.00 66.70 65.59 1w2q h VAL 95 Cb 0.76 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 1w2q h VAL 95 CO 0.01 0.04 -0.15 1.56 -1.01 0.00 0.00 177.57 178.03 1w2q h GLN 96 N 0.24 -0.40 -0.87 4.17 4.20 -1.68 -2.19 115.11 118.59 1w2q h GLN 96 Ca 0.76 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.56 1w2q h GLN 96 Cb 1.82 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 29.63 1w2q h GLN 96 CO -0.65 -0.11 0.54 1.96 -0.67 0.00 0.00 178.83 179.90 1w2q h GLN 97 N -1.00 0.96 -0.71 1.46 4.20 -0.78 -0.58 115.11 118.66 1w2q h GLN 97 Ca -0.04 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1w2q h GLN 97 Cb 0.47 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1w2q h GLN 97 CO 0.07 0.64 0.46 0.35 -0.67 0.00 0.00 178.83 179.68 1w2q h PHE 98 N 0.99 0.90 -0.50 2.96 3.57 0.15 -0.95 116.94 124.06 1w2q h PHE 98 Ca 0.38 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 1w2q h PHE 98 Cb 0.16 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1w2q h PHE 98 CO -0.03 0.57 0.16 0.87 -2.23 0.00 0.00 178.31 177.65 1w2q h LYS 99 N 0.97 0.78 0.36 1.11 1.57 -0.45 0.34 116.57 121.24 1w2q h LYS 99 Ca 0.26 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1w2q h LYS 99 Cb -0.10 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1w2q h LYS 99 CO -0.06 0.73 -0.17 0.00 -0.57 0.00 0.00 179.45 179.38 1w2q h ARG 100 N 0.68 -0.46 -0.94 3.15 3.08 -0.65 -1.25 114.38 117.99 1w2q h ARG 100 Ca 0.16 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1w2q h ARG 100 Cb 0.27 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 1w2q h ARG 100 CO -0.01 -0.27 0.60 0.93 -1.07 0.00 0.00 179.97 180.15 1w2q h GLU 101 N -0.53 1.24 0.00 0.04 4.39 -1.08 0.65 114.58 119.29 1w2q h GLU 101 Ca -0.05 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1w2q h GLU 101 Cb 0.40 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1w2q h GLU 101 CO 0.08 0.84 -0.02 1.25 -1.16 0.00 0.00 179.01 180.00 1w2q h LEU 102 N 1.28 0.00 -0.13 1.33 5.85 0.07 0.17 115.31 123.87 1w2q h LEU 102 Ca 0.34 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.83 1w2q h LEU 102 Cb -0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1w2q h LEU 102 CO -0.07 0.02 -0.99 0.24 -0.34 0.00 0.00 178.44 177.30 1w2q h MET 103 N 0.00 0.37 0.00 1.25 2.86 0.33 -3.23 114.93 116.51 1w2q h MET 103 Ca -0.00 -0.43 -0.20 0.00 -2.06 0.00 0.00 59.70 57.00 1w2q h MET 103 Cb 0.08 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1w2q h MET 103 CO 0.00 1.11 -1.01 0.77 1.06 0.00 0.00 176.91 178.85 1w2q h SER 104 N 0.19 0.00 -0.88 1.22 0.02 -0.82 -3.33 113.55 109.96 1w2q h SER 104 Ca -0.09 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.03 1w2q h SER 104 Cb 1.64 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 64.02 1w2q h SER 104 CO 0.17 0.94 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.47 1w2q h LEU 105 N 0.00 -0.96 0.00 5.07 -0.00 -0.76 2.51 115.31 121.18 1w2q h LEU 105 Ca -0.04 0.27 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1w2q h LEU 105 Cb 1.75 0.59 0.00 0.00 -0.00 0.00 0.00 40.66 42.99 1w2q h LEU 105 CO 0.12 -0.29 0.00 -0.81 -0.00 0.00 0.00 178.44 177.45 1w2q n PRO 106 N -5.54 0.17 -0.12 1.13 -0.04 -1.25 -2.69 135.00 126.66 1w2q n PRO 106 Ca 0.12 0.17 -0.26 0.00 -0.04 0.00 0.00 63.50 63.49 1w2q n PRO 106 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.25 0.61 -0.12 0.54 6.02 0.83 -0.87 117.38 123.13 1w2q n GLN 107 Ca 0.05 0.29 0.09 0.00 -0.01 0.00 0.00 57.00 57.42 1w2q n GLN 107 Cb 0.08 -1.55 0.44 0.00 1.02 0.00 0.00 30.24 30.23 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 -0.74 0.54 -0.00 -1.09 4.20 -0.90 -1.11 115.11 116.00 1w2q h GLN 108 Ca -0.61 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.06 1w2q h GLN 108 Cb 1.65 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1w2q h GLN 108 CO -0.30 0.36 -0.76 0.00 -0.67 0.00 0.00 178.83 177.46 1w2q n ASN 110 N -1.05 -5.12 0.29 0.00 3.02 -0.42 -4.85 115.26 107.13 1w2q n ASN 110 Ca 0.05 -0.53 0.14 0.00 -0.03 0.00 0.00 54.58 54.20 1w2q n ASN 110 Cb 0.33 -4.81 0.86 0.00 -0.61 0.00 0.00 39.78 35.54 1w2q n ASN 110 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1w2q h PHE 111 N -2.37 0.00 -4.00 3.10 0.04 -1.30 -3.42 116.94 108.99 1w2q h PHE 111 Ca -0.54 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 59.70 1w2q h PHE 111 Cb 1.34 0.00 0.09 0.00 2.20 0.00 0.00 35.95 39.58 1w2q h PHE 111 CO 0.46 0.00 0.55 0.50 -0.60 0.00 0.00 178.31 179.22 1w2q s ARG 112 N -4.73 3.61 0.10 1.51 3.52 -1.25 -4.76 118.95 116.95 1w2q s ARG 112 Ca -0.05 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 1w2q s ARG 112 Cb 0.16 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 1w2q s ARG 112 CO 0.57 -0.74 0.00 0.00 -0.81 0.00 0.00 175.30 174.33 1w2q n ALA 113 N -0.53 0.00 -1.77 6.12 0.00 -1.26 -5.14 120.51 117.93 1w2q n ALA 113 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 1w2q n ALA 113 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1w2q n ALA 113 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1w2q s PRO 114 N -1.88 3.81 0.28 0.00 0.04 -1.26 -4.92 135.00 131.07 1w2q s PRO 114 Ca 0.00 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.81 1w2q s PRO 114 Cb 0.00 -2.43 0.67 0.00 0.04 0.00 0.00 34.50 32.78 1w2q s PRO 114 CO 0.00 -0.50 1.73 0.37 0.04 0.00 0.00 177.00 178.64 1w2q h GLN 115 N 2.11 0.51 -5.69 4.56 5.75 -2.02 -3.40 115.11 116.92 1w2q h GLN 115 Ca -0.49 -0.03 -0.47 0.00 -0.15 0.00 0.00 58.65 57.50 1w2q h GLN 115 Cb 1.24 -0.12 -0.21 0.00 1.07 0.00 0.00 27.48 29.46 1w2q h GLN 115 CO 0.60 0.34 -0.80 -0.98 -2.65 0.00 0.00 178.83 175.34 1w2q s ARG 116 N -5.91 0.95 -0.10 1.69 1.70 -1.26 -5.08 118.95 110.95 1w2q s ARG 116 Ca -0.12 -1.05 -0.06 0.00 -0.47 0.00 0.00 55.73 54.04 1w2q s ARG 116 Cb 0.24 -1.07 -0.02 0.00 -0.57 0.00 0.00 34.95 33.53 1w2q s ARG 116 CO 0.78 0.24 -0.11 0.00 -1.08 0.00 0.00 175.30 175.13 1w2q s ASP 118 N -5.14 -0.46 0.33 0.00 2.15 -1.26 -4.92 116.67 107.38 1w2q s ASP 118 Ca -0.09 -0.05 0.06 0.00 0.43 0.00 0.00 52.55 52.90 1w2q s ASP 118 Cb 0.01 0.52 0.73 0.00 -0.30 0.00 0.00 42.92 43.88 1w2q s ASP 118 CO 0.14 -0.86 1.86 0.25 -0.17 0.00 0.00 175.17 176.39 1w2q h LEU 119 N 2.00 0.75 -1.44 -1.34 5.85 -2.02 -3.45 115.31 115.65 1w2q h LEU 119 Ca -0.28 0.04 -0.43 0.00 0.84 0.00 0.00 57.88 58.05 1w2q h LEU 119 Cb 1.28 -0.10 0.04 0.00 0.37 0.00 0.00 40.66 42.24 1w2q h LEU 119 CO 0.34 0.38 -0.79 0.47 -0.34 0.00 0.00 178.44 178.50 1w2q n ASP 120 N -4.58 -2.79 -0.10 1.25 8.00 -1.26 -4.83 116.55 112.24 1w2q n ASP 120 Ca 0.18 -0.77 0.05 0.00 0.71 0.00 0.00 54.79 54.96 1w2q n ASP 120 Cb 0.43 -4.15 0.39 0.00 -0.02 0.00 0.00 41.12 37.77 1w2q n ASP 120 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1w2q h VAL 121 N -2.01 1.06 -4.18 2.53 3.04 -2.06 -3.41 116.25 111.22 1w2q h VAL 121 Ca -0.60 -0.23 -0.51 0.00 -1.01 0.00 0.00 66.70 64.35 1w2q h VAL 121 Cb 1.36 0.35 -0.27 0.00 -2.01 0.00 0.00 31.29 30.72 1w2q h VAL 121 CO 0.59 0.12 -0.82 -0.55 -1.01 0.00 0.00 177.57 175.90 1w2q s SER 122 N -6.43 1.97 0.79 3.17 0.15 -1.26 -5.15 113.70 106.94 1w2q s SER 122 Ca -0.09 -0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.12 1w2q s SER 122 Cb 0.18 -0.18 0.13 0.00 -1.71 0.00 0.00 66.02 64.45 1w2q s SER 122 CO 0.75 0.14 0.85 0.61 1.20 0.00 0.00 173.24 176.80 1w2q n GLY 123 N 2.27 -0.13 3.77 9.45 0.00 -1.26 -5.03 105.19 114.26 1w2q n GLY 123 Ca -0.16 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1w2q n GLY 123 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1w2q s GLY 124 N -4.74 2.94 0.22 -0.02 0.00 -1.26 -4.92 107.32 99.53 1w2q s GLY 124 Ca 0.53 1.00 -0.07 0.00 0.00 0.00 0.00 44.72 46.17 1w2q s GLY 124 CO 0.36 1.56 1.80 -0.09 0.00 0.00 0.00 173.10 176.72 1w2q h ARG 125 N 3.08 1.21 -0.14 2.90 2.43 -1.97 -1.57 114.38 120.32 1w2q h ARG 125 Ca -0.48 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 58.53 1w2q h ARG 125 Cb 1.23 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1w2q h ARG 125 CO 0.64 0.96 0.12 0.00 -1.51 0.00 0.00 179.97 180.18