#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 3.12 0.54 1.61 0.04 -1.26 -4.92 135.00 134.13 1w2q s PRO 2 Ca 0.00 1.45 0.21 0.00 0.04 0.00 0.00 61.00 62.70 1w2q s PRO 2 Cb 0.00 -1.99 1.45 0.00 0.04 0.00 0.00 34.50 34.00 1w2q s PRO 2 CO 0.00 -1.01 2.18 0.52 0.04 0.00 0.00 177.00 178.73 1w2q h MET 3 N 0.60 0.00 -1.02 4.56 2.86 -2.06 -1.49 114.93 118.38 1w2q h MET 3 Ca -0.48 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 57.44 1w2q h MET 3 Cb 1.25 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.85 1w2q h MET 3 CO 0.56 0.00 0.71 0.00 1.06 0.00 0.00 176.91 179.24 1w2q h ARG 4 N 0.00 0.14 -6.86 1.72 3.08 -2.07 -3.41 114.38 106.99 1w2q h ARG 4 Ca 0.01 -0.01 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1w2q h ARG 4 Cb 0.04 -0.03 0.15 0.00 0.08 0.00 0.00 29.97 30.20 1w2q h ARG 4 CO -0.00 0.09 0.31 0.54 -1.07 0.00 0.00 179.97 179.84 1w2q n ARG 5 N -4.36 1.31 -1.70 0.04 1.74 -0.56 -4.90 116.66 108.23 1w2q n ARG 5 Ca 0.22 0.48 -0.37 0.00 -0.77 0.00 0.00 57.85 57.42 1w2q n ARG 5 Cb 1.00 -2.29 0.07 0.00 -1.02 0.00 0.00 32.46 30.22 1w2q n ARG 5 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1w2q s GLU 6 N -2.61 2.48 0.29 5.56 0.41 -1.26 -4.86 118.70 118.70 1w2q s GLU 6 Ca 0.71 2.06 0.02 0.00 -0.41 0.00 0.00 54.97 57.36 1w2q s GLU 6 Cb -0.45 -1.84 0.61 0.00 -1.78 0.00 0.00 34.13 30.67 1w2q s GLU 6 CO 0.50 -1.65 1.81 -0.09 -0.49 0.00 0.00 175.26 175.34 1w2q h ARG 7 N 0.46 0.86 0.00 1.61 2.43 -1.90 -3.45 114.38 114.38 1w2q h ARG 7 Ca -0.51 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1w2q h ARG 7 Cb 1.34 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1w2q h ARG 7 CO 0.53 0.57 0.00 0.41 -1.51 0.00 0.00 179.97 179.96 1w2q n GLY 8 N -1.34 0.79 3.20 2.80 0.00 -1.26 -5.06 105.19 104.32 1w2q n GLY 8 Ca 0.20 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1w2q n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2q s ARG 9 N -0.67 2.99 0.08 1.61 0.52 -1.26 -5.12 118.95 117.10 1w2q s ARG 9 Ca 0.00 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.26 1w2q s ARG 9 Cb 0.00 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.17 1w2q s ARG 9 CO 0.00 0.12 0.22 -0.65 0.02 0.00 0.00 175.30 175.01 1w2q s GLN 10 N 0.49 0.84 0.00 3.54 -0.21 -1.26 -4.88 119.66 118.18 1w2q s GLN 10 Ca -0.15 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.39 1w2q s GLN 10 Cb -0.17 0.35 0.00 0.00 1.00 0.00 0.00 33.01 34.18 1w2q s GLN 10 CO 0.06 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 1w2q n GLY 11 N 0.11 0.59 0.67 3.09 0.00 -1.26 -4.92 105.19 103.47 1w2q n GLY 11 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.93 1w2q n GLY 11 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1w2q n ASP 12 N 0.00 1.95 0.27 1.61 5.75 -1.26 -3.94 116.55 120.93 1w2q n ASP 12 Ca 0.00 -1.92 0.16 0.00 -0.01 0.00 0.00 54.79 53.01 1w2q n ASP 12 Cb 0.00 -0.21 0.66 0.00 -1.03 0.00 0.00 41.12 40.53 1w2q n ASP 12 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1w2q h SER 13 N 2.25 0.00 -4.23 -1.12 4.64 -1.99 -3.43 113.55 109.67 1w2q h SER 13 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1w2q h SER 13 Cb 0.51 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.37 1w2q h SER 13 CO 0.00 0.05 -0.83 -0.44 -0.87 0.00 0.00 176.83 174.74 1w2q s SER 14 N -5.80 2.43 -0.25 4.97 0.01 -1.25 -5.11 113.70 108.70 1w2q s SER 14 Ca 0.01 -0.63 -0.26 0.00 1.31 0.00 0.00 55.95 56.38 1w2q s SER 14 Cb 0.09 -0.15 0.10 0.00 0.21 0.00 0.00 66.02 66.27 1w2q s SER 14 CO 0.56 0.08 0.87 -0.55 0.41 0.00 0.00 173.24 174.61 1w2q s SER 15 N -1.67 -0.58 0.50 2.44 0.15 -1.26 -5.00 113.70 108.27 1w2q s SER 15 Ca 0.06 1.05 0.37 0.00 0.70 0.00 0.00 55.95 58.13 1w2q s SER 15 Cb -0.10 1.04 1.52 0.00 -1.71 0.00 0.00 66.02 66.78 1w2q s SER 15 CO 0.03 -0.25 1.66 0.00 1.20 0.00 0.00 173.24 175.89 1w2q h GLU 17 N 0.07 0.31 -0.34 0.00 5.08 -1.99 1.53 114.58 119.23 1w2q h GLU 17 Ca 0.78 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 59.22 1w2q h GLU 17 Cb 2.78 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.95 1w2q h GLU 17 CO -0.19 0.20 0.33 0.00 -1.00 0.00 0.00 179.01 178.35 1w2q h ARG 18 N 0.32 0.00 0.00 2.33 2.47 -0.42 0.65 114.38 119.73 1w2q h ARG 18 Ca 0.59 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.29 1w2q h ARG 18 Cb 1.18 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1w2q h ARG 18 CO -0.59 0.00 -0.09 1.96 0.56 0.00 0.00 179.97 181.81 1w2q h GLN 19 N 0.00 0.00 -0.17 0.04 4.20 0.21 -2.97 115.11 116.42 1w2q h GLN 19 Ca 0.16 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 1w2q h GLN 19 Cb 0.81 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1w2q h GLN 19 CO -0.00 0.09 -0.41 0.28 -0.67 0.00 0.00 178.83 178.12 1w2q h VAL 20 N 0.00 1.31 -0.10 -0.54 2.07 0.41 -2.50 116.25 116.90 1w2q h VAL 20 Ca -0.00 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.00 1w2q h VAL 20 Cb 0.76 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1w2q h VAL 20 CO 0.01 0.47 0.09 0.44 0.02 0.00 0.00 177.57 178.61 1w2q h ASP 21 N 0.32 0.00 1.09 0.57 3.32 -1.53 0.35 116.42 120.54 1w2q h ASP 21 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1w2q h ASP 21 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1w2q h ASP 21 CO 0.07 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.13 1w2q n ARG 22 N -4.07 0.16 0.00 3.56 1.74 -0.94 -4.22 116.66 112.89 1w2q n ARG 22 Ca -0.01 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1w2q n ARG 22 Cb 0.20 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.00 0.00 -3.33 1.55 0.31 0.12 -4.89 118.33 110.09 1w2q n VAL 23 Ca 0.05 0.76 -0.18 0.00 -0.01 0.00 0.00 64.34 64.97 1w2q n VAL 23 Cb 0.33 -1.59 0.07 0.00 -0.91 0.00 0.00 33.84 31.74 1w2q n VAL 23 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1w2q n ASN 24 N -0.36 -6.11 -3.62 4.52 5.15 -1.26 -4.92 115.26 108.66 1w2q n ASN 24 Ca 0.00 -0.75 -0.37 0.00 -0.60 0.00 0.00 54.58 52.86 1w2q n ASN 24 Cb 0.00 -4.91 -0.01 0.00 -0.53 0.00 0.00 39.78 34.33 1w2q n ASN 24 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1w2q n LEU 25 N -3.44 5.88 -0.14 1.20 4.77 -1.26 -4.80 117.00 119.21 1w2q n LEU 25 Ca -0.09 -5.39 -0.08 0.00 -0.03 0.00 0.00 56.01 50.42 1w2q n LEU 25 Cb 0.62 -1.01 0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1w2q n LEU 25 CO 0.61 1.97 0.76 0.50 -1.33 0.00 0.00 177.39 179.89 1w2q h LYS 26 N 4.46 0.91 -0.03 3.23 3.64 -2.00 -2.78 116.57 123.99 1w2q h LYS 26 Ca 0.29 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1w2q h LYS 26 Cb 0.52 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1w2q h LYS 26 CO 1.12 0.98 -0.39 -1.00 -2.27 0.00 0.00 179.45 177.88 1w2q h PRO 27 N 0.81 0.07 0.29 1.90 0.13 -1.98 -1.94 132.00 131.28 1w2q h PRO 27 Ca 0.13 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1w2q h PRO 27 Cb 0.65 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1w2q h PRO 27 CO 0.05 0.46 -0.14 0.00 -0.23 0.00 0.00 178.00 178.14 1w2q h GLU 29 N -0.93 0.35 0.00 0.00 4.81 -1.51 0.52 114.58 117.83 1w2q h GLU 29 Ca -0.04 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1w2q h GLU 29 Cb 0.50 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1w2q h GLU 29 CO 0.06 0.23 -0.22 1.96 -0.73 0.00 0.00 179.01 180.32 1w2q h GLN 30 N 0.37 0.00 0.00 1.92 4.20 -1.25 0.18 115.11 120.53 1w2q h GLN 30 Ca 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 1w2q h GLN 30 Cb 0.78 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 1w2q h GLN 30 CO -0.09 0.22 -0.18 1.25 -0.67 0.00 0.00 178.83 179.35 1w2q h HIS 31 N 0.00 0.00 0.02 2.96 2.76 0.88 -2.03 115.15 119.74 1w2q h HIS 31 Ca -0.00 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.80 1w2q h HIS 31 Cb 0.73 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.64 1w2q h HIS 31 CO 0.00 0.14 -2.08 0.44 -1.30 0.00 0.00 177.93 175.13 1w2q n ILE 32 N -3.12 1.57 -0.14 6.26 -5.35 -0.83 -3.37 119.36 114.38 1w2q n ILE 32 Ca 0.03 -0.36 -0.08 0.00 -0.27 0.00 0.00 62.75 62.07 1w2q n ILE 32 Cb 0.59 -1.81 0.08 0.00 -1.74 0.00 0.00 39.64 36.75 1w2q n ILE 32 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1w2q h MET 33 N -0.63 0.89 -0.35 6.28 2.86 -0.78 -2.60 114.93 120.59 1w2q h MET 33 Ca -0.54 -0.31 -0.14 0.00 -2.06 0.00 0.00 59.70 56.66 1w2q h MET 33 Cb 1.65 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.23 1w2q h MET 33 CO -0.22 0.95 -0.33 1.96 1.06 0.00 0.00 176.91 180.33 1w2q h GLN 34 N 0.80 0.78 -0.03 1.72 4.20 -1.55 -2.97 115.11 118.06 1w2q h GLN 34 Ca 0.13 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1w2q h GLN 34 Cb 0.62 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1w2q h GLN 34 CO 0.04 0.99 0.02 -0.09 -0.67 0.00 0.00 178.83 179.12 1w2q h ARG 35 N 0.65 0.04 0.00 1.46 2.43 -1.52 -1.11 114.38 116.34 1w2q h ARG 35 Ca 0.07 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1w2q h ARG 35 Cb 0.87 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1w2q h ARG 35 CO 0.08 0.10 0.00 0.44 -1.51 0.00 0.00 179.97 179.08 1w2q n ILE 36 N -5.03 1.57 -0.36 1.20 -5.35 -1.00 -2.43 119.36 107.96 1w2q n ILE 36 Ca -0.07 0.42 0.05 0.00 -0.27 0.00 0.00 62.75 62.89 1w2q n ILE 36 Cb 0.06 -1.34 0.21 0.00 -1.74 0.00 0.00 39.64 36.83 1w2q n ILE 36 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1w2q h MET 37 N 0.00 1.05 0.00 6.28 2.86 -1.03 -3.45 114.93 120.64 1w2q h MET 37 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1w2q h MET 37 Cb 0.09 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1w2q h MET 37 CO 0.00 0.69 0.00 0.41 1.06 0.00 0.00 176.91 179.07 1w2q n GLY 38 N -1.36 0.88 0.14 8.32 0.00 -1.02 -3.85 105.19 108.30 1w2q n GLY 38 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1w2q n GLY 38 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1w2q h GLU 39 N 0.00 0.00 -0.01 1.61 5.08 -1.91 -2.97 114.58 116.37 1w2q h GLU 39 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1w2q h GLU 39 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1w2q h GLU 39 CO 0.00 0.59 -0.30 0.37 -1.00 0.00 0.00 179.01 178.67 1w2q h GLN 40 N 0.00 0.02 0.00 2.33 4.15 -1.87 -3.44 115.11 116.30 1w2q h GLN 40 Ca -0.01 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1w2q h GLN 40 Cb 1.13 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1w2q h GLN 40 CO 0.08 0.33 0.00 0.39 -1.93 0.00 0.00 178.83 177.69 1w2q n GLU 41 N -4.17 2.32 -3.19 1.69 1.02 -1.12 -4.72 120.64 112.47 1w2q n GLU 41 Ca -0.02 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.95 1w2q n GLU 41 Cb 0.35 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.82 1w2q n GLU 41 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1w2q n GLN 42 N -0.35 -5.33 -3.85 3.49 6.02 -1.26 -4.93 117.38 111.18 1w2q n GLN 42 Ca 0.00 0.63 -0.09 0.00 -0.01 0.00 0.00 57.00 57.53 1w2q n GLN 42 Cb 0.00 -5.01 -0.07 0.00 1.02 0.00 0.00 30.24 26.18 1w2q n GLN 42 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1w2q s TYR 43 N -3.18 0.15 -1.60 1.08 1.13 -1.26 -4.89 117.35 108.78 1w2q s TYR 43 Ca 0.38 -0.55 -0.10 0.00 -1.41 0.00 0.00 57.07 55.39 1w2q s TYR 43 Cb -0.17 -0.02 0.09 0.00 -1.10 0.00 0.00 41.96 40.76 1w2q s TYR 43 CO 0.47 -0.59 0.51 -0.25 -2.51 0.00 0.00 175.55 173.18 1w2q n ASP 44 N -0.10 -1.40 -4.58 -0.18 8.00 -1.26 -4.81 116.55 112.22 1w2q n ASP 44 Ca -0.14 -1.08 -0.40 0.00 0.71 0.00 0.00 54.79 53.88 1w2q n ASP 44 Cb 0.63 -2.54 0.03 0.00 -0.02 0.00 0.00 41.12 39.21 1w2q n ASP 44 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1w2q n SER 45 N -2.79 0.60 -4.29 -2.24 2.88 -1.26 -4.99 113.62 101.53 1w2q n SER 45 Ca -0.12 0.92 -0.26 0.00 -1.33 0.00 0.00 58.87 58.07 1w2q n SER 45 Cb 0.59 -1.32 -0.14 0.00 -0.75 0.00 0.00 64.21 62.60 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 -1.43 1.94 0.48 0.66 2.02 -1.26 -5.11 117.35 114.65 1w2q s TYR 46 Ca 0.67 -0.39 -0.24 0.00 -0.37 0.00 0.00 57.07 56.75 1w2q s TYR 46 Cb -0.50 -1.12 -0.07 0.00 -0.40 0.00 0.00 41.96 39.87 1w2q s TYR 46 CO 0.54 0.15 1.35 -0.51 -1.57 0.00 0.00 175.55 175.51 1w2q s ASP 47 N -1.47 5.73 0.36 2.29 1.01 -1.26 -4.87 116.67 118.45 1w2q s ASP 47 Ca 0.09 2.74 0.08 0.00 0.71 0.00 0.00 52.55 56.16 1w2q s ASP 47 Cb -0.09 -2.64 0.80 0.00 1.01 0.00 0.00 42.92 41.99 1w2q s ASP 47 CO 0.03 -1.26 1.90 0.40 0.21 0.00 0.00 175.17 176.45 1w2q h ILE 48 N 1.92 0.90 -0.89 0.77 2.04 -1.99 0.34 117.51 120.60 1w2q h ILE 48 Ca -0.50 -0.24 0.17 0.00 1.00 0.00 0.00 64.86 65.28 1w2q h ILE 48 Cb 1.27 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 1w2q h ILE 48 CO 0.60 0.13 0.58 -0.09 0.00 0.00 0.00 178.15 179.36 1w2q h ARG 49 N 0.71 0.53 -6.83 2.37 2.43 -2.06 -3.40 114.38 108.12 1w2q h ARG 49 Ca 0.40 -0.03 -0.48 0.00 -0.81 0.00 0.00 59.98 59.05 1w2q h ARG 49 Cb 0.56 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1w2q h ARG 49 CO -0.16 0.35 0.16 0.45 -1.51 0.00 0.00 179.97 179.25 1w2q s SER 50 N -5.71 6.75 0.70 -3.80 0.15 0.11 -5.05 113.70 106.84 1w2q s SER 50 Ca -0.09 1.34 -0.11 0.00 0.70 0.00 0.00 55.95 57.79 1w2q s SER 50 Cb 0.22 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1w2q s SER 50 CO 0.78 -0.29 1.06 0.42 1.20 0.00 0.00 173.24 176.42 1w2q s THR 51 N -2.12 3.98 0.01 6.45 -4.23 -1.26 -4.80 115.64 113.66 1w2q s THR 51 Ca 0.55 0.64 0.08 0.00 -1.18 0.00 0.00 61.69 61.78 1w2q s THR 51 Cb -0.10 -3.41 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 1w2q s THR 51 CO 0.20 -0.84 -0.23 -0.13 -0.54 0.00 0.00 174.62 173.08 1w2q s ARG 52 N -5.08 1.74 0.45 3.99 0.52 -1.26 -5.01 118.95 114.31 1w2q s ARG 52 Ca 0.58 -0.91 0.14 0.00 -0.52 0.00 0.00 55.73 55.02 1w2q s ARG 52 Cb -0.14 -1.77 1.07 0.00 0.52 0.00 0.00 34.95 34.63 1w2q s ARG 52 CO 0.55 0.47 2.04 0.77 0.02 0.00 0.00 175.30 179.15 1w2q h SER 53 N 5.25 0.29 -0.07 0.23 0.02 -2.02 0.17 113.55 117.43 1w2q h SER 53 Ca -0.42 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 1w2q h SER 53 Cb 1.14 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1w2q h SER 53 CO 0.46 0.19 0.00 0.28 -1.14 0.00 0.00 176.83 176.62 1w2q h SER 54 N 0.33 0.17 0.22 3.07 0.02 -2.02 -0.54 113.55 114.80 1w2q h SER 54 Ca 0.18 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1w2q h SER 54 Cb 0.31 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1w2q h SER 54 CO -0.04 0.21 -0.04 0.44 -1.14 0.00 0.00 176.83 176.26 1w2q h ASP 55 N 0.19 0.00 1.00 3.07 3.32 -1.36 -0.95 116.42 121.68 1w2q h ASP 55 Ca 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 1w2q h ASP 55 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1w2q h ASP 55 CO 0.00 0.04 -0.54 1.56 -1.72 0.00 0.00 179.24 178.58 1w2q h GLN 56 N 0.00 0.00 -0.41 3.56 4.20 -1.16 -3.20 115.11 118.11 1w2q h GLN 56 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1w2q h GLN 56 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1w2q h GLN 56 CO 0.01 0.54 -0.03 1.96 -0.67 0.00 0.00 178.83 180.64 1w2q h GLN 57 N 0.00 0.74 -0.96 1.46 1.08 -1.21 -2.83 115.11 113.39 1w2q h GLN 57 Ca -0.01 -0.25 0.28 0.00 -1.45 0.00 0.00 58.65 57.22 1w2q h GLN 57 Cb 1.19 -0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 28.42 1w2q h GLN 57 CO 0.07 0.84 0.48 1.96 -0.95 0.00 0.00 178.83 181.23 1w2q h GLN 58 N 0.57 0.34 -1.13 1.46 4.20 -1.55 0.91 115.11 119.90 1w2q h GLN 58 Ca 0.11 -0.02 0.32 0.00 0.06 0.00 0.00 58.65 59.12 1w2q h GLN 58 Cb 0.53 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.14 1w2q h GLN 58 CO 0.03 0.22 0.76 0.00 -0.67 0.00 0.00 178.83 179.17 1w2q h ARG 59 N 0.35 0.23 0.00 1.46 3.08 -1.63 -2.72 114.38 115.14 1w2q h ARG 59 Ca 0.66 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.70 1w2q h ARG 59 Cb 1.41 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1w2q h ARG 59 CO -0.59 0.15 0.00 0.00 -1.07 0.00 0.00 179.97 178.46 1w2q h ASP 62 N 0.02 0.30 -0.03 0.00 3.58 -0.92 0.64 116.42 120.02 1w2q h ASP 62 Ca 0.49 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.96 1w2q h ASP 62 Cb 0.88 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1w2q h ASP 62 CO -0.89 0.11 -0.07 -0.33 -2.88 0.00 0.00 179.24 175.19 1w2q h GLU 63 N 0.30 0.10 0.00 0.28 5.08 0.97 -2.64 114.58 118.66 1w2q h GLU 63 Ca 0.48 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1w2q h GLU 63 Cb 1.38 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1w2q h GLU 63 CO -0.15 0.65 0.00 1.28 -1.00 0.00 0.00 179.01 179.79 1w2q n LEU 64 N -4.72 0.00 0.03 1.33 4.77 0.01 0.31 117.00 118.73 1w2q n LEU 64 Ca -0.08 0.45 -0.19 0.00 -0.03 0.00 0.00 56.01 56.16 1w2q n LEU 64 Cb 0.33 -0.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 1w2q n LEU 64 CO 0.36 -0.35 0.12 -1.13 -1.33 0.00 0.00 177.39 175.05 1w2q h ASN 65 N 0.00 0.49 0.00 -1.43 -1.24 -0.60 -3.26 115.58 109.54 1w2q h ASN 65 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 56.30 56.13 1w2q h ASN 65 Cb 0.10 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.99 1w2q h ASN 65 CO 0.00 1.33 0.00 1.21 -1.29 0.00 0.00 177.43 178.68 1w2q n GLU 66 N -4.16 0.03 0.00 6.67 2.13 -0.90 -4.68 120.64 119.72 1w2q n GLU 66 Ca -0.13 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1w2q n GLU 66 Cb 0.77 -0.26 0.00 0.00 0.27 0.00 0.00 31.44 32.22 1w2q n GLU 66 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1w2q n MET 67 N -0.00 0.00 0.00 5.31 1.56 0.93 -4.12 117.12 120.80 1w2q n MET 67 Ca 0.00 0.34 0.14 0.00 -0.27 0.00 0.00 57.70 57.91 1w2q n MET 67 Cb 0.13 -0.84 0.82 0.00 2.15 0.00 0.00 33.22 35.48 1w2q n MET 67 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1w2q n GLU 68 N -1.63 0.90 -4.09 2.12 2.13 -0.89 -4.89 120.64 114.29 1w2q n GLU 68 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 1w2q n GLU 68 Cb 0.00 -1.48 -0.02 0.00 0.27 0.00 0.00 31.44 30.22 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 -0.98 -2.23 -4.39 4.31 4.13 -1.26 -4.89 115.26 109.95 1w2q n ASN 69 Ca 0.21 -1.23 -0.29 0.00 1.68 0.00 0.00 54.58 54.95 1w2q n ASN 69 Cb 0.09 -2.02 0.21 0.00 -1.54 0.00 0.00 39.78 36.53 1w2q n ASN 69 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1w2q s THR 70 N -3.84 1.87 0.00 3.41 -4.23 -1.23 -5.06 115.64 106.56 1w2q s THR 70 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1w2q s THR 70 Cb -0.14 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1w2q s THR 70 CO 0.96 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 175.04 1w2q n GLN 71 N -4.53 0.00 0.15 3.99 6.02 -1.26 -4.97 117.38 116.78 1w2q n GLN 71 Ca 0.07 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.16 1w2q n GLN 71 Cb 0.58 0.00 0.54 0.00 1.02 0.00 0.00 30.24 32.38 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 0.00 -0.89 0.00 1.08 0.00 -1.26 -0.96 105.19 103.16 1w2q n GLY 72 Ca 0.00 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 0.10 -0.67 0.00 2.86 -1.44 0.37 114.93 116.15 1w2q h MET 74 Ca 0.00 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 1w2q h MET 74 Cb 0.08 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.58 1w2q h MET 74 CO 0.00 0.07 -0.22 0.00 1.06 0.00 0.00 176.91 177.81 1w2q h GLU 76 N -0.05 0.00 0.02 0.00 5.08 -0.58 0.17 114.58 119.22 1w2q h GLU 76 Ca 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1w2q h GLU 76 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1w2q h GLU 76 CO -0.71 0.04 -0.01 0.00 -1.00 0.00 0.00 179.01 177.33 1w2q h ALA 77 N 1.96 -0.03 -0.45 3.43 0.00 0.37 -2.33 119.26 122.21 1w2q h ALA 77 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1w2q h ALA 77 Cb 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1w2q h ALA 77 CO 0.01 -0.05 0.21 1.25 0.00 0.00 0.00 179.25 180.67 1w2q h LEU 78 N -0.96 0.58 -1.15 0.00 5.85 -0.03 -2.00 115.31 117.60 1w2q h LEU 78 Ca -0.00 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1w2q h LEU 78 Cb 0.66 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1w2q h LEU 78 CO 0.01 0.55 0.59 1.56 -0.34 0.00 0.00 178.44 180.80 1w2q h GLN 79 N 0.58 1.00 -0.19 1.25 4.20 -0.79 -1.73 115.11 119.42 1w2q h GLN 79 Ca 0.15 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1w2q h GLN 79 Cb 0.12 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1w2q h GLN 79 CO -0.02 0.66 0.11 0.37 -0.67 0.00 0.00 178.83 179.28 1w2q h GLN 80 N 1.03 0.27 0.01 1.46 5.75 -0.79 -1.45 115.11 121.38 1w2q h GLN 80 Ca 0.39 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.87 1w2q h GLN 80 Cb 0.20 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 1w2q h GLN 80 CO -0.15 0.26 -0.35 0.82 -2.65 0.00 0.00 178.83 176.76 1w2q h ILE 81 N 0.21 0.00 -0.70 2.39 2.04 -0.72 1.55 117.51 122.28 1w2q h ILE 81 Ca 0.07 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.07 1w2q h ILE 81 Cb 0.07 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.01 1w2q h ILE 81 CO -0.01 0.00 -0.15 0.24 0.00 0.00 0.00 178.15 178.23 1w2q h MET 82 N -0.44 0.01 0.00 2.37 2.86 -1.39 2.05 114.93 120.38 1w2q h MET 82 Ca 0.01 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1w2q h MET 82 Cb 0.47 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1w2q h MET 82 CO -0.23 0.01 -0.05 1.49 1.06 0.00 0.00 176.91 179.20 1w2q h GLU 83 N 0.01 0.00 0.00 1.72 4.81 -0.08 0.94 114.58 121.98 1w2q h GLU 83 Ca 0.34 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1w2q h GLU 83 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1w2q h GLU 83 CO -0.71 0.05 -0.17 -0.91 -0.73 0.00 0.00 179.01 176.54 1w2q h ASN 84 N 0.00 0.00 -0.03 1.04 2.35 1.48 -3.37 115.58 117.05 1w2q h ASN 84 Ca -0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 1w2q h ASN 84 Cb 0.33 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.54 1w2q h ASN 84 CO 0.01 0.17 -0.37 0.00 -1.65 0.00 0.00 177.43 175.58 1w2q n GLN 85 N -3.29 1.22 0.00 0.81 6.02 -0.51 -4.93 117.38 116.69 1w2q n GLN 85 Ca 0.01 -1.81 0.03 0.00 -0.01 0.00 0.00 57.00 55.22 1w2q n GLN 85 Cb 0.42 -0.04 -0.01 0.00 1.02 0.00 0.00 30.24 31.63 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 0.45 0.00 -0.34 0.00 3.32 -1.85 1.11 116.42 119.11 1w2q h ASP 87 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1w2q h ASP 87 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1w2q h ASP 87 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1w2q n ARG 88 N -2.89 2.88 -0.02 3.56 1.74 -1.26 -4.60 116.66 116.06 1w2q n ARG 88 Ca -0.00 -2.08 -0.13 0.00 -0.77 0.00 0.00 57.85 54.87 1w2q n ARG 88 Cb 0.55 -1.29 -0.09 0.00 -1.02 0.00 0.00 32.46 30.61 1w2q n ARG 88 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1w2q h LEU 89 N 1.99 0.12 -1.99 0.55 5.85 0.10 -2.89 115.31 119.04 1w2q h LEU 89 Ca 0.00 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.34 1w2q h LEU 89 Cb 0.76 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1w2q h LEU 89 CO 0.01 0.54 0.18 1.56 -0.34 0.00 0.00 178.44 180.39 1w2q h GLN 90 N -0.30 0.02 -1.00 1.25 4.20 -1.81 -1.46 115.11 115.99 1w2q h GLN 90 Ca 0.01 -0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.94 1w2q h GLN 90 Cb 0.50 -0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.16 1w2q h GLN 90 CO 0.01 0.01 0.60 -0.44 -0.67 0.00 0.00 178.83 178.34 1w2q h ASP 91 N 0.02 0.72 -3.95 1.46 3.32 -1.80 -3.43 116.42 112.76 1w2q h ASP 91 Ca 0.12 0.12 -0.34 0.00 0.02 0.00 0.00 57.03 56.95 1w2q h ASP 91 Cb 0.46 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.92 1w2q h ASP 91 CO -0.00 0.18 -0.30 0.54 -1.72 0.00 0.00 179.24 177.94 1w2q n ARG 92 N -4.83 0.53 -0.02 3.56 1.74 -0.55 -5.01 116.66 112.07 1w2q n ARG 92 Ca 0.25 -2.19 0.08 0.00 -0.77 0.00 0.00 57.85 55.22 1w2q n ARG 92 Cb 0.66 1.42 0.42 0.00 -1.02 0.00 0.00 32.46 33.94 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 -0.52 1.19 -0.61 5.56 6.02 -1.26 -4.13 117.38 123.63 1w2q n GLN 93 Ca -0.00 -0.29 0.49 0.00 -0.01 0.00 0.00 57.00 57.19 1w2q n GLN 93 Cb 0.39 -1.27 0.78 0.00 1.02 0.00 0.00 30.24 31.16 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 0.56 0.00 -0.23 -1.09 4.05 -1.94 1.62 114.93 117.90 1w2q h MET 94 Ca 0.00 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 1w2q h MET 94 Cb 0.12 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1w2q h MET 94 CO 0.00 0.00 0.17 -0.24 0.23 0.00 0.00 176.91 177.07 1w2q h VAL 95 N 0.00 0.88 0.00 -5.77 3.04 -1.76 0.17 116.25 112.81 1w2q h VAL 95 Ca 0.84 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.53 1w2q h VAL 95 Cb 3.49 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 33.65 1w2q h VAL 95 CO -0.01 0.00 0.00 1.67 -1.01 0.00 0.00 177.57 178.22 1w2q n GLN 96 N -4.46 0.00 -0.37 4.17 7.27 0.55 -1.40 117.38 123.14 1w2q n GLN 96 Ca 0.03 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.12 1w2q n GLN 96 Cb 0.32 -0.44 0.09 0.00 2.41 0.00 0.00 30.24 32.61 1w2q n GLN 96 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1w2q h GLN 97 N 0.00 -0.00 -1.00 3.69 4.20 -1.69 2.00 115.11 122.31 1w2q h GLN 97 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 1w2q h GLN 97 Cb 0.00 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.67 1w2q h GLN 97 CO 0.00 -0.00 0.61 0.35 -0.67 0.00 0.00 178.83 179.12 1w2q h PHE 98 N -0.00 1.06 -0.47 2.96 3.57 -1.09 0.25 116.94 123.21 1w2q h PHE 98 Ca 0.41 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 1w2q h PHE 98 Cb 0.66 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1w2q h PHE 98 CO -0.82 0.21 0.21 -0.22 -2.23 0.00 0.00 178.31 175.47 1w2q h LYS 99 N 0.74 0.69 0.16 1.11 1.63 0.44 1.82 116.57 123.16 1w2q h LYS 99 Ca 0.59 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 60.27 1w2q h LYS 99 Cb 0.95 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1w2q h LYS 99 CO -0.39 0.61 -0.08 -0.09 -3.45 0.00 0.00 179.45 176.05 1w2q h ARG 100 N 0.62 -0.21 -0.33 1.90 2.43 0.42 0.34 114.38 119.56 1w2q h ARG 100 Ca 0.16 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1w2q h ARG 100 Cb 0.16 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1w2q h ARG 100 CO -0.02 -0.09 0.02 1.49 -1.51 0.00 0.00 179.97 179.86 1w2q h GLU 101 N -0.28 0.56 -0.13 0.20 4.81 -0.72 -1.91 114.58 117.11 1w2q h GLU 101 Ca -0.02 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1w2q h GLU 101 Cb 0.22 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1w2q h GLU 101 CO 0.04 0.68 0.13 1.25 -0.73 0.00 0.00 179.01 180.38 1w2q h LEU 102 N 0.37 0.00 -0.57 1.64 5.85 0.30 0.19 115.31 123.11 1w2q h LEU 102 Ca 0.09 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1w2q h LEU 102 Cb 0.42 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1w2q h LEU 102 CO 0.01 0.00 -0.49 0.24 -0.34 0.00 0.00 178.44 177.87 1w2q h MET 103 N 0.00 0.00 0.03 1.25 2.86 0.48 -3.13 114.93 116.42 1w2q h MET 103 Ca 0.06 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.47 1w2q h MET 103 Cb 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1w2q h MET 103 CO -0.00 0.49 -1.14 0.66 1.06 0.00 0.00 176.91 177.98 1w2q h SER 104 N 0.00 0.08 -0.51 1.22 4.64 -0.36 -3.32 113.55 115.30 1w2q h SER 104 Ca -0.00 -0.10 0.10 0.00 -0.47 0.00 0.00 61.79 61.32 1w2q h SER 104 Cb 1.14 -0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 63.10 1w2q h SER 104 CO 0.06 1.08 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.89 1w2q h LEU 105 N 0.01 -0.52 0.00 5.97 3.38 -1.31 0.83 115.31 123.67 1w2q h LEU 105 Ca -0.07 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1w2q h LEU 105 Cb 1.84 0.33 0.00 0.00 0.09 0.00 0.00 40.66 42.92 1w2q h LEU 105 CO 0.14 -0.18 0.00 -0.81 0.09 0.00 0.00 178.44 177.67 1w2q n PRO 106 N -5.38 0.18 -0.08 1.13 -0.04 -1.25 -2.59 135.00 126.97 1w2q n PRO 106 Ca 0.05 0.16 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 1w2q n PRO 106 Cb 0.28 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.27 0.65 0.14 0.54 6.02 0.27 -2.58 117.38 121.14 1w2q n GLN 107 Ca 0.06 0.32 0.17 0.00 -0.01 0.00 0.00 57.00 57.54 1w2q n GLN 107 Cb 0.09 -1.64 0.56 0.00 1.02 0.00 0.00 30.24 30.28 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 -0.44 0.00 0.00 -1.09 1.08 -0.90 0.39 115.11 114.15 1w2q h GLN 108 Ca -0.49 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.53 1w2q h GLN 108 Cb 1.73 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.13 1w2q h GLN 108 CO -0.13 0.00 -1.91 0.00 -0.95 0.00 0.00 178.83 175.84 1w2q n ASN 110 N -2.37 -2.69 0.19 0.00 2.85 0.14 -4.91 115.26 108.46 1w2q n ASN 110 Ca -0.17 -0.10 0.14 0.00 -0.11 0.00 0.00 54.58 54.34 1w2q n ASN 110 Cb 0.78 -1.35 0.60 0.00 1.24 0.00 0.00 39.78 41.05 1w2q n ASN 110 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1w2q h PHE 111 N -0.48 0.00 -2.30 1.20 0.04 -1.77 -3.45 116.94 110.17 1w2q h PHE 111 Ca -0.11 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.08 1w2q h PHE 111 Cb 1.07 0.00 0.20 0.00 2.20 0.00 0.00 35.95 39.42 1w2q h PHE 111 CO 0.09 0.00 -1.15 0.54 -0.60 0.00 0.00 178.31 177.20 1w2q n ARG 112 N -2.51 0.08 0.00 1.51 1.74 -1.26 -4.67 116.66 111.55 1w2q n ARG 112 Ca 0.01 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1w2q n ARG 112 Cb 0.21 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1w2q n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w2q n ALA 113 N -1.97 0.00 -1.77 7.54 0.00 -1.26 -5.13 120.51 117.92 1w2q n ALA 113 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 1w2q n ALA 113 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 4.49 0.23 0.00 0.04 -1.26 -4.93 135.00 133.56 1w2q s PRO 114 Ca 0.00 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 1w2q s PRO 114 Cb 0.00 -3.13 0.38 0.00 0.04 0.00 0.00 34.50 31.79 1w2q s PRO 114 CO 0.00 -0.01 1.76 1.96 0.04 0.00 0.00 177.00 180.76 1w2q h GLN 115 N 3.59 0.54 -5.09 4.56 4.20 -2.02 -3.41 115.11 117.48 1w2q h GLN 115 Ca -0.48 -0.03 -0.42 0.00 0.06 0.00 0.00 58.65 57.78 1w2q h GLN 115 Cb 1.22 -0.12 -0.26 0.00 0.30 0.00 0.00 27.48 28.61 1w2q h GLN 115 CO 0.66 0.36 -0.79 1.03 -0.67 0.00 0.00 178.83 179.42 1w2q s ARG 116 N -6.04 0.88 -0.04 1.46 0.52 -1.26 -5.04 118.95 109.42 1w2q s ARG 116 Ca -0.13 -0.60 -0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1w2q s ARG 116 Cb 0.19 -0.85 -0.02 0.00 0.52 0.00 0.00 34.95 34.78 1w2q s ARG 116 CO 0.76 0.22 -0.05 0.00 0.02 0.00 0.00 175.30 176.26 1w2q s ASP 118 N -4.97 7.28 -0.13 0.00 1.01 -1.26 -4.94 116.67 113.66 1w2q s ASP 118 Ca -0.06 1.64 -0.03 0.00 0.71 0.00 0.00 52.55 54.81 1w2q s ASP 118 Cb 0.02 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1w2q s ASP 118 CO 0.08 0.07 -0.01 -0.76 0.21 0.00 0.00 175.17 174.76 1w2q s LEU 119 N -1.67 3.44 0.39 1.23 1.02 -1.26 -4.98 118.68 116.84 1w2q s LEU 119 Ca 0.42 -0.00 0.16 0.00 0.02 0.00 0.00 54.13 54.73 1w2q s LEU 119 Cb -0.20 -1.82 0.80 0.00 0.02 0.00 0.00 46.19 45.00 1w2q s LEU 119 CO 0.24 0.25 1.83 0.44 0.02 0.00 0.00 176.35 179.13 1w2q h ASP 120 N 6.13 0.00 -0.54 2.29 3.32 -2.04 -2.74 116.42 122.85 1w2q h ASP 120 Ca -0.39 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 1w2q h ASP 120 Cb 1.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1w2q h ASP 120 CO 0.61 0.35 0.14 0.58 -1.72 0.00 0.00 179.24 179.20 1w2q h VAL 121 N 0.00 1.24 -3.35 -1.35 2.07 -2.04 -3.42 116.25 109.39 1w2q h VAL 121 Ca -0.00 -0.86 -0.65 0.00 0.82 0.00 0.00 66.70 66.01 1w2q h VAL 121 Cb 0.69 0.64 -0.15 0.00 -1.52 0.00 0.00 31.29 30.95 1w2q h VAL 121 CO 0.05 0.32 -0.73 -0.44 0.02 0.00 0.00 177.57 176.79 1w2q s SER 122 N -6.55 4.34 0.13 0.57 0.01 -1.03 -5.12 113.70 106.05 1w2q s SER 122 Ca -0.10 -0.46 -0.12 0.00 1.31 0.00 0.00 55.95 56.58 1w2q s SER 122 Cb 0.15 -0.79 0.04 0.00 0.21 0.00 0.00 66.02 65.64 1w2q s SER 122 CO 0.81 0.15 0.57 0.61 0.41 0.00 0.00 173.24 175.79 1w2q n GLY 123 N 0.44 0.99 3.41 3.44 0.00 -1.26 -4.42 105.19 107.80 1w2q n GLY 123 Ca -0.13 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.67 1.85 0.12 -0.02 0.00 -1.26 -5.05 107.32 100.28 1w2q s GLY 124 Ca 0.12 -1.92 -0.12 0.00 0.00 0.00 0.00 44.72 42.80 1w2q s GLY 124 CO 0.04 -1.79 1.38 3.21 0.00 0.00 0.00 173.10 175.93 1w2q h ARG 125 N 2.27 0.84 0.00 2.90 3.08 -2.03 -2.69 114.38 118.75 1w2q h ARG 125 Ca -0.40 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.09 1w2q h ARG 125 Cb 1.23 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1w2q h ARG 125 CO 0.68 1.19 0.14 0.00 -1.07 0.00 0.00 179.97 180.91