#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2q h PRO 2 N 0.00 0.00 -5.87 1.61 0.13 -2.13 -3.43 132.00 122.31 1w2q h PRO 2 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 1w2q h PRO 2 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1w2q h PRO 2 CO 0.00 0.00 -0.38 -1.64 -0.23 0.00 0.00 178.00 175.75 1w2q s MET 3 N -3.48 3.59 0.18 0.86 -1.94 -1.26 -5.10 119.30 112.16 1w2q s MET 3 Ca 0.03 -0.03 0.10 0.00 -1.71 0.00 0.00 55.69 54.08 1w2q s MET 3 Cb 0.09 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 1w2q s MET 3 CO 0.45 0.68 -0.22 1.03 -0.01 0.00 0.00 175.02 176.95 1w2q s ARG 4 N -1.55 1.43 0.64 2.03 0.52 -1.26 -5.11 118.95 115.65 1w2q s ARG 4 Ca 0.25 -1.48 -0.18 0.00 -0.52 0.00 0.00 55.73 53.80 1w2q s ARG 4 Cb -0.13 -1.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 1w2q s ARG 4 CO 0.13 0.35 1.06 0.54 0.02 0.00 0.00 175.30 177.41 1w2q n ARG 5 N 0.30 0.90 0.05 3.54 5.12 -1.26 -4.85 116.66 120.44 1w2q n ARG 5 Ca -0.13 0.35 0.04 0.00 -1.93 0.00 0.00 57.85 56.19 1w2q n ARG 5 Cb 0.56 -2.28 0.44 0.00 -1.16 0.00 0.00 32.46 30.02 1w2q n ARG 5 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1w2q h GLU 6 N 0.37 0.44 -6.59 5.56 5.08 -2.07 -3.42 114.58 113.96 1w2q h GLU 6 Ca -0.49 -0.04 -0.64 0.00 -1.00 0.00 0.00 59.36 57.19 1w2q h GLU 6 Cb 1.36 -0.09 -0.23 0.00 0.50 0.00 0.00 28.75 30.29 1w2q h GLU 6 CO 0.51 0.33 -0.85 1.03 -1.00 0.00 0.00 179.01 179.02 1w2q s ARG 7 N -5.32 1.34 0.42 2.33 0.52 -1.26 -5.14 118.95 111.83 1w2q s ARG 7 Ca -0.07 -1.24 -0.06 0.00 -0.52 0.00 0.00 55.73 53.84 1w2q s ARG 7 Cb 0.17 -1.71 0.09 0.00 0.52 0.00 0.00 34.95 34.03 1w2q s ARG 7 CO 0.73 0.41 0.58 0.41 0.02 0.00 0.00 175.30 177.44 1w2q n GLY 8 N 1.10 -0.74 3.30 -3.53 0.00 -1.26 -5.09 105.19 98.97 1w2q n GLY 8 Ca -0.18 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 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 -4.16 1.82 0.31 1.61 0.52 -1.26 -5.02 118.95 112.77 1w2q s ARG 9 Ca 0.34 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1w2q s ARG 9 Cb -0.01 -1.86 0.49 0.00 0.52 0.00 0.00 34.95 34.09 1w2q s ARG 9 CO 0.24 0.50 1.90 1.96 0.02 0.00 0.00 175.30 179.92 1w2q h GLN 10 N 5.18 0.84 -7.25 3.54 4.20 -2.07 -3.43 115.11 116.12 1w2q h GLN 10 Ca -0.43 -0.12 -0.47 0.00 0.06 0.00 0.00 58.65 57.69 1w2q h GLN 10 Cb 1.14 -0.15 0.10 0.00 0.30 0.00 0.00 27.48 28.86 1w2q h GLN 10 CO 0.45 0.67 0.17 0.20 -0.67 0.00 0.00 178.83 179.65 1w2q s GLY 11 N -3.56 1.76 -0.07 3.46 0.00 -1.26 -5.04 107.32 102.62 1w2q s GLY 11 Ca -0.10 -1.70 -0.27 0.00 0.00 0.00 0.00 44.72 42.65 1w2q s GLY 11 CO 0.79 -1.07 0.87 -0.35 0.00 0.00 0.00 173.10 173.34 1w2q s ASP 12 N -4.79 7.15 0.68 1.64 2.15 -1.26 -5.01 116.67 117.23 1w2q s ASP 12 Ca 0.68 1.40 -0.17 0.00 0.43 0.00 0.00 52.55 54.90 1w2q s ASP 12 Cb -0.04 -2.50 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 1w2q s ASP 12 CO 0.46 -0.27 1.10 -1.20 -0.17 0.00 0.00 175.17 175.09 1w2q n SER 13 N 4.27 1.14 -4.17 -0.34 7.64 -1.26 -5.02 113.62 115.89 1w2q n SER 13 Ca 0.04 0.75 -0.20 0.00 1.01 0.00 0.00 58.87 60.47 1w2q n SER 13 Cb 0.50 -1.46 -0.13 0.00 -1.01 0.00 0.00 64.21 62.11 1w2q n SER 13 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1w2q s SER 14 N -1.50 1.76 0.15 6.43 0.15 -1.26 -5.14 113.70 114.29 1w2q s SER 14 Ca 0.77 -0.55 -0.15 0.00 0.70 0.00 0.00 55.95 56.72 1w2q s SER 14 Cb -0.37 -0.08 -0.07 0.00 -1.71 0.00 0.00 66.02 63.79 1w2q s SER 14 CO 0.46 -0.01 0.57 -0.94 1.20 0.00 0.00 173.24 174.52 1w2q s SER 15 N -1.48 6.86 0.56 5.45 1.04 -1.26 -4.95 113.70 119.92 1w2q s SER 15 Ca 0.00 1.12 0.29 0.00 0.48 0.00 0.00 55.95 57.84 1w2q s SER 15 Cb -0.09 -2.31 1.65 0.00 0.10 0.00 0.00 66.02 65.38 1w2q s SER 15 CO 0.02 0.10 2.17 0.00 0.98 0.00 0.00 173.24 176.51 1w2q h GLU 17 N 0.00 0.53 -0.05 0.00 4.39 -1.99 0.93 114.58 118.39 1w2q h GLU 17 Ca -0.00 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1w2q h GLU 17 Cb 0.16 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1w2q h GLU 17 CO 0.01 0.35 0.09 0.00 -1.16 0.00 0.00 179.01 178.29 1w2q h ARG 18 N 0.55 0.00 0.00 2.33 3.08 -1.84 0.16 114.38 118.66 1w2q h ARG 18 Ca 0.53 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.50 1w2q h ARG 18 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 1w2q h ARG 18 CO -0.44 0.00 -0.37 1.96 -1.07 0.00 0.00 179.97 180.06 1w2q h GLN 19 N 0.00 0.00 -0.04 0.04 4.20 0.73 -3.23 115.11 116.81 1w2q h GLN 19 Ca 0.02 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 1w2q h GLN 19 Cb 0.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1w2q h GLN 19 CO -0.00 0.37 -0.81 0.28 -0.67 0.00 0.00 178.83 177.99 1w2q h VAL 20 N 0.00 1.40 -0.76 -0.54 2.07 -0.45 -3.05 116.25 114.92 1w2q h VAL 20 Ca -0.00 -2.29 0.22 0.00 0.82 0.00 0.00 66.70 65.45 1w2q h VAL 20 Cb 1.25 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 1w2q h VAL 20 CO 0.05 0.68 0.54 0.44 0.02 0.00 0.00 177.57 179.30 1w2q h ASP 21 N 0.24 0.02 1.06 0.57 3.32 -1.53 0.93 116.42 121.03 1w2q h ASP 21 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1w2q h ASP 21 Cb 1.41 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1w2q h ASP 21 CO 0.14 0.01 0.00 -0.09 -1.72 0.00 0.00 179.24 177.58 1w2q h ARG 22 N 0.02 0.00 0.00 3.56 2.43 -1.68 -3.36 114.38 115.35 1w2q h ARG 22 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1w2q h ARG 22 Cb 1.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1w2q h ARG 22 CO -0.01 0.00 0.00 0.28 -1.51 0.00 0.00 179.97 178.73 1w2q n VAL 23 N -2.70 0.00 -2.87 0.20 0.31 0.32 -4.91 118.33 108.69 1w2q n VAL 23 Ca 0.02 0.63 -0.07 0.00 -0.01 0.00 0.00 64.34 64.91 1w2q n VAL 23 Cb 0.31 -1.25 0.01 0.00 -0.91 0.00 0.00 33.84 32.00 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 -0.23 -7.96 -3.42 4.52 3.02 -1.26 -4.97 115.26 104.97 1w2q n ASN 24 Ca 0.00 0.49 -0.27 0.00 -0.03 0.00 0.00 54.58 54.78 1w2q n ASN 24 Cb 0.00 -5.40 -0.08 0.00 -0.61 0.00 0.00 39.78 33.69 1w2q n ASN 24 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1w2q n LEU 25 N -0.41 3.36 -0.08 3.41 4.32 -1.26 -4.88 117.00 121.46 1w2q n LEU 25 Ca 0.11 -5.36 -0.12 0.00 -0.02 0.00 0.00 56.01 50.63 1w2q n LEU 25 Cb 0.46 -0.53 0.01 0.00 -1.62 0.00 0.00 43.42 41.74 1w2q n LEU 25 CO 0.48 2.05 0.54 0.11 -1.22 0.00 0.00 177.39 179.35 1w2q h LYS 26 N 4.21 0.82 -0.02 3.23 6.56 -1.99 -2.76 116.57 126.62 1w2q h LYS 26 Ca 0.19 -0.44 -0.09 0.00 -1.06 0.00 0.00 60.65 59.24 1w2q h LYS 26 Cb 0.69 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.35 1w2q h LYS 26 CO 0.79 1.08 -0.43 -1.00 -2.06 0.00 0.00 179.45 177.83 1w2q h PRO 27 N 0.67 0.04 -0.09 3.15 0.13 -1.97 -0.88 132.00 133.05 1w2q h PRO 27 Ca 0.05 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.06 1w2q h PRO 27 Cb 0.99 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1w2q h PRO 27 CO 0.09 0.47 -0.33 0.00 -0.23 0.00 0.00 178.00 178.00 1w2q h GLU 29 N -0.08 0.45 0.00 0.00 4.81 -1.42 -1.94 114.58 116.40 1w2q h GLU 29 Ca -0.02 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1w2q h GLU 29 Cb 0.96 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1w2q h GLU 29 CO 0.07 0.69 0.00 1.96 -0.73 0.00 0.00 179.01 181.00 1w2q h GLN 30 N 0.40 0.00 0.16 1.92 4.20 -1.12 0.08 115.11 120.74 1w2q h GLN 30 Ca 0.06 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.47 1w2q h GLN 30 Cb 0.69 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.50 1w2q h GLN 30 CO 0.05 0.00 -1.27 1.25 -0.67 0.00 0.00 178.83 178.20 1w2q h HIS 31 N 0.00 0.97 0.13 2.96 -0.00 -0.51 -2.21 115.15 116.49 1w2q h HIS 31 Ca 0.00 -0.64 -0.20 0.00 -0.00 0.00 0.00 60.37 59.53 1w2q h HIS 31 Cb 0.64 -0.06 0.02 0.00 -0.00 0.00 0.00 27.41 28.01 1w2q h HIS 31 CO 0.00 1.48 -0.86 0.82 -0.00 0.00 0.00 177.93 179.38 1w2q h ILE 32 N 0.18 1.47 -0.94 6.26 2.04 -1.36 -2.76 117.51 122.40 1w2q h ILE 32 Ca -0.20 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1w2q h ILE 32 Cb 1.96 3.07 -0.05 0.00 -0.74 0.00 0.00 36.82 41.06 1w2q h ILE 32 CO 0.24 0.71 0.59 0.24 0.00 0.00 0.00 178.15 179.93 1w2q h MET 33 N -0.25 1.26 -0.38 2.37 2.86 -1.10 -0.64 114.93 119.05 1w2q h MET 33 Ca -0.14 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.29 1w2q h MET 33 Cb 1.65 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 1w2q h MET 33 CO 0.16 0.86 -0.19 1.96 1.06 0.00 0.00 176.91 180.76 1w2q h GLN 34 N 1.29 0.74 0.48 1.72 4.20 -1.46 -1.82 115.11 120.25 1w2q h GLN 34 Ca 0.34 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1w2q h GLN 34 Cb -0.10 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1w2q h GLN 34 CO -0.07 0.87 -0.23 -0.09 -0.67 0.00 0.00 178.83 178.65 1w2q h ARG 35 N 0.65 -0.62 -0.98 1.46 9.65 -1.03 1.48 114.38 125.00 1w2q h ARG 35 Ca 0.10 0.04 0.26 0.00 -1.10 0.00 0.00 59.98 59.28 1w2q h ARG 35 Cb 0.68 0.14 -0.13 0.00 -1.39 0.00 0.00 29.97 29.27 1w2q h ARG 35 CO 0.05 -0.41 0.55 -0.84 2.80 0.00 0.00 179.97 182.11 1w2q h ILE 36 N -0.90 0.47 0.01 1.20 3.07 -1.20 -0.80 117.51 119.37 1w2q h ILE 36 Ca -0.07 -0.17 -0.00 0.00 1.55 0.00 0.00 64.86 66.18 1w2q h ILE 36 Cb 0.49 -0.06 0.00 0.00 -0.27 0.00 0.00 36.82 36.98 1w2q h ILE 36 CO 0.11 0.09 -0.00 0.24 -1.05 0.00 0.00 178.15 177.53 1w2q h MET 37 N 0.49 -0.01 0.00 0.16 2.86 -1.25 -3.41 114.93 113.77 1w2q h MET 37 Ca 0.65 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.29 1w2q h MET 37 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1w2q h MET 37 CO -0.52 0.74 0.00 0.41 1.06 0.00 0.00 176.91 178.60 1w2q n GLY 38 N 1.02 1.19 0.19 8.32 0.00 0.51 -1.33 105.19 115.09 1w2q n GLY 38 Ca -0.09 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.51 1.61 5.08 -1.87 -3.46 114.58 112.43 1w2q h GLU 39 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1w2q h GLU 39 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 1w2q h GLU 39 CO 0.00 0.20 -0.33 -0.65 -1.00 0.00 0.00 179.01 177.23 1w2q s GLN 40 N -3.16 0.77 0.54 2.33 -0.21 -0.44 -5.01 119.66 114.47 1w2q s GLN 40 Ca 0.05 -0.64 0.31 0.00 0.02 0.00 0.00 55.36 55.10 1w2q s GLN 40 Cb 0.06 0.32 1.47 0.00 1.00 0.00 0.00 33.01 35.87 1w2q s GLN 40 CO 0.69 -0.24 1.91 0.93 -2.12 0.00 0.00 175.29 176.46 1w2q h GLU 41 N 3.23 0.00 -7.13 2.91 5.08 -1.79 -3.42 114.58 113.47 1w2q h GLU 41 Ca -0.32 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.49 1w2q h GLU 41 Cb 1.20 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.60 1w2q h GLU 41 CO 0.49 0.00 0.48 -0.65 -1.00 0.00 0.00 179.01 178.33 1w2q s GLN 42 N -4.98 2.47 0.36 2.33 -0.21 -1.26 -4.70 119.66 113.67 1w2q s GLN 42 Ca -0.05 1.97 0.06 0.00 0.02 0.00 0.00 55.36 57.35 1w2q s GLN 42 Cb 0.21 -1.85 0.74 0.00 1.00 0.00 0.00 33.01 33.11 1w2q s GLN 42 CO 0.76 -1.64 1.97 -0.92 -2.12 0.00 0.00 175.29 173.34 1w2q h TYR 43 N 0.35 0.76 -5.26 0.91 3.20 -1.80 -3.46 116.97 111.66 1w2q h TYR 43 Ca -0.50 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.11 1w2q h TYR 43 Cb 1.32 -0.25 0.16 0.00 1.54 0.00 0.00 36.73 39.50 1w2q h TYR 43 CO 0.43 0.41 -0.71 -0.25 -1.64 0.00 0.00 178.16 176.40 1w2q n ASP 44 N -4.48 -3.09 0.19 -2.11 8.00 -1.26 -4.85 116.55 108.95 1w2q n ASP 44 Ca 0.10 -0.58 0.14 0.00 0.71 0.00 0.00 54.79 55.17 1w2q n ASP 44 Cb 0.21 -4.68 0.74 0.00 -0.02 0.00 0.00 41.12 37.37 1w2q n ASP 44 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1w2q h SER 45 N -1.52 0.00 -0.99 -2.24 0.02 -2.01 -1.31 113.55 105.49 1w2q h SER 45 Ca -0.53 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 60.58 1w2q h SER 45 Cb 1.30 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.74 1w2q h SER 45 CO 0.44 0.00 0.60 0.22 -1.14 0.00 0.00 176.83 176.94 1w2q h TYR 46 N 0.00 1.06 -0.53 3.45 3.20 -2.01 -3.28 116.97 118.86 1w2q h TYR 46 Ca 0.08 0.03 -0.32 0.00 3.14 0.00 0.00 58.73 61.67 1w2q h TYR 46 Cb 0.38 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1w2q h TYR 46 CO 0.00 0.30 0.99 -0.51 -1.64 0.00 0.00 178.16 177.30 1w2q s ASP 47 N -5.50 5.06 0.30 -2.11 1.01 -0.50 -4.71 116.67 110.22 1w2q s ASP 47 Ca -0.12 -1.42 0.03 0.00 0.71 0.00 0.00 52.55 51.75 1w2q s ASP 47 Cb 0.24 -2.58 0.49 0.00 1.01 0.00 0.00 42.92 42.07 1w2q s ASP 47 CO 0.80 -3.00 1.78 0.40 0.21 0.00 0.00 175.17 175.37 1w2q h ILE 48 N 6.44 1.24 -3.83 0.77 2.04 -1.84 -3.43 117.51 118.90 1w2q h ILE 48 Ca 0.19 -1.07 -0.56 0.00 1.00 0.00 0.00 64.86 64.42 1w2q h ILE 48 Cb 0.95 1.18 0.14 0.00 -0.74 0.00 0.00 36.82 38.36 1w2q h ILE 48 CO 1.22 0.35 0.47 0.54 0.00 0.00 0.00 178.15 180.73 1w2q n ARG 49 N -4.19 1.52 -4.36 2.37 1.74 -1.26 -5.01 116.66 107.48 1w2q n ARG 49 Ca 0.00 0.56 -0.23 0.00 -0.77 0.00 0.00 57.85 57.42 1w2q n ARG 49 Cb 0.34 -2.44 -0.11 0.00 -1.02 0.00 0.00 32.46 29.22 1w2q n ARG 49 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1w2q s SER 50 N -0.94 2.87 0.17 0.55 1.04 -1.26 -5.11 113.70 111.01 1w2q s SER 50 Ca 0.71 -0.87 -0.30 0.00 0.48 0.00 0.00 55.95 55.98 1w2q s SER 50 Cb -0.43 -0.18 -0.07 0.00 0.10 0.00 0.00 66.02 65.43 1w2q s SER 50 CO 0.50 0.00 1.04 -0.89 0.98 0.00 0.00 173.24 174.87 1w2q s THR 51 N -1.97 4.04 0.37 2.02 2.01 -1.26 -4.91 115.64 115.94 1w2q s THR 51 Ca 0.17 1.78 0.12 0.00 0.31 0.00 0.00 61.69 64.08 1w2q s THR 51 Cb -0.06 -4.14 0.34 0.00 0.01 0.00 0.00 72.50 68.65 1w2q s THR 51 CO 0.07 0.32 1.84 0.03 -0.69 0.00 0.00 174.62 176.20 1w2q h ARG 52 N 5.06 0.57 -1.10 4.92 3.08 -2.03 0.14 114.38 125.03 1w2q h ARG 52 Ca -0.44 -0.03 0.30 0.00 0.07 0.00 0.00 59.98 59.88 1w2q h ARG 52 Cb 1.21 -0.13 -0.09 0.00 0.08 0.00 0.00 29.97 31.04 1w2q h ARG 52 CO 0.71 0.37 0.72 0.77 -1.07 0.00 0.00 179.97 181.48 1w2q h SER 53 N 0.58 0.33 -0.33 7.04 0.02 -2.02 0.91 113.55 120.08 1w2q h SER 53 Ca 0.48 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.59 1w2q h SER 53 Cb 0.95 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1w2q h SER 53 CO -0.23 0.04 0.24 0.77 -1.14 0.00 0.00 176.83 176.51 1w2q h SER 54 N 0.28 0.08 -1.12 3.07 4.64 -1.05 -0.59 113.55 118.86 1w2q h SER 54 Ca 0.61 0.00 0.32 0.00 -0.47 0.00 0.00 61.79 62.26 1w2q h SER 54 Cb 1.78 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.81 1w2q h SER 54 CO -0.25 0.05 0.81 0.44 -0.87 0.00 0.00 176.83 177.00 1w2q h ASP 55 N 0.09 0.00 -0.86 4.97 3.32 0.73 0.45 116.42 125.11 1w2q h ASP 55 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1w2q h ASP 55 Cb 0.51 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1w2q h ASP 55 CO -0.01 0.00 0.52 1.56 -1.72 0.00 0.00 179.24 179.59 1w2q h GLN 56 N 0.00 1.17 -1.09 3.56 4.20 -1.25 -1.93 115.11 119.77 1w2q h GLN 56 Ca 0.53 -0.10 0.31 0.00 0.06 0.00 0.00 58.65 59.45 1w2q h GLN 56 Cb 2.14 -0.25 -0.12 0.00 0.30 0.00 0.00 27.48 29.55 1w2q h GLN 56 CO -0.01 0.81 0.67 0.37 -0.67 0.00 0.00 178.83 180.01 1w2q h GLN 57 N 1.18 0.33 -0.13 1.46 4.15 -0.25 1.15 115.11 123.00 1w2q h GLN 57 Ca 0.31 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.67 1w2q h GLN 57 Cb -0.06 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1w2q h GLN 57 CO -0.06 0.22 -0.11 1.96 -1.93 0.00 0.00 178.83 178.91 1w2q h GLN 58 N 0.34 0.20 -0.82 1.69 4.20 -1.44 -2.43 115.11 116.86 1w2q h GLN 58 Ca 0.68 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.32 1w2q h GLN 58 Cb 1.73 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.44 1w2q h GLN 58 CO -0.42 0.32 0.39 0.00 -0.67 0.00 0.00 178.83 178.46 1w2q h ARG 59 N 0.20 1.18 0.00 1.46 2.47 0.13 -1.27 114.38 118.54 1w2q h ARG 59 Ca 0.04 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1w2q h ARG 59 Cb 0.32 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1w2q h ARG 59 CO 0.02 0.91 0.00 0.00 0.56 0.00 0.00 179.97 181.46 1w2q h ASP 62 N 0.26 0.95 -0.21 0.00 3.32 -0.19 -0.83 116.42 119.72 1w2q h ASP 62 Ca 0.63 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.61 1w2q h ASP 62 Cb 1.85 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.19 1w2q h ASP 62 CO -0.26 0.63 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.41 1w2q h GLU 63 N 1.09 0.48 0.00 3.56 5.08 0.30 -2.16 114.58 122.94 1w2q h GLU 63 Ca 0.38 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1w2q h GLU 63 Cb 0.12 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1w2q h GLU 63 CO -0.13 0.79 0.00 1.28 -1.00 0.00 0.00 179.01 179.94 1w2q n LEU 64 N -4.49 0.22 0.16 1.33 4.32 -0.73 -1.11 117.00 116.71 1w2q n LEU 64 Ca -0.05 0.59 0.03 0.00 -0.02 0.00 0.00 56.01 56.56 1w2q n LEU 64 Cb 0.37 -0.59 0.19 0.00 -1.62 0.00 0.00 43.42 41.76 1w2q n LEU 64 CO 0.41 -0.57 0.55 -1.13 -1.22 0.00 0.00 177.39 175.42 1w2q h ASN 65 N 0.00 0.00 0.00 -1.43 -1.24 -0.49 -3.31 115.58 109.11 1w2q h ASN 65 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.68 1w2q h ASN 65 Cb 0.09 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.08 1w2q h ASN 65 CO 0.00 0.50 -2.25 1.21 -1.29 0.00 0.00 177.43 175.59 1w2q n GLU 66 N -3.45 0.92 -1.09 6.67 2.13 -0.26 -4.53 120.64 121.03 1w2q n GLU 66 Ca 0.00 0.04 -0.24 0.00 0.66 0.00 0.00 57.16 57.62 1w2q n GLU 66 Cb 0.63 -1.46 -0.10 0.00 0.27 0.00 0.00 31.44 30.78 1w2q n GLU 66 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1w2q n MET 67 N -2.82 2.70 -0.50 5.31 2.81 -0.61 -4.63 117.12 119.38 1w2q n MET 67 Ca -0.33 -1.53 0.44 0.00 -1.81 0.00 0.00 57.70 54.47 1w2q n MET 67 Cb 1.04 -2.36 0.77 0.00 -0.71 0.00 0.00 33.22 31.95 1w2q n MET 67 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1w2q h GLU 68 N 4.15 0.00 -0.10 0.03 4.57 -1.80 1.04 114.58 122.47 1w2q h GLU 68 Ca 0.51 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.72 1w2q h GLU 68 Cb 0.86 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1w2q h GLU 68 CO 0.99 0.00 0.38 -0.91 -1.18 0.00 0.00 179.01 178.29 1w2q h ASN 69 N 0.00 0.00 -3.87 1.04 -0.26 -1.92 -3.41 115.58 107.16 1w2q h ASN 69 Ca 0.74 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.95 1w2q h ASN 69 Cb 3.04 0.00 0.08 0.00 -1.06 0.00 0.00 38.32 40.38 1w2q h ASN 69 CO -0.01 0.00 0.69 0.42 -1.06 0.00 0.00 177.43 177.47 1w2q s THR 70 N -4.23 2.52 0.00 2.81 -4.23 0.36 -4.96 115.64 107.91 1w2q s THR 70 Ca -0.03 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1w2q s THR 70 Cb 0.10 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1w2q s THR 70 CO 0.34 0.12 0.00 0.00 -0.54 0.00 0.00 174.62 174.54 1w2q n GLN 71 N 0.79 0.00 -0.52 3.99 6.02 -1.26 -4.96 117.38 121.43 1w2q n GLN 71 Ca 0.01 0.00 0.42 0.00 -0.01 0.00 0.00 57.00 57.42 1w2q n GLN 71 Cb 0.41 0.00 0.72 0.00 1.02 0.00 0.00 30.24 32.39 1w2q n GLN 71 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1w2q h GLY 72 N 0.00 0.65 0.34 1.08 0.00 -1.93 1.08 103.07 104.30 1w2q h GLY 72 Ca 0.00 -0.06 0.14 0.00 0.00 0.00 0.00 47.33 47.41 1w2q h GLY 72 CO 0.00 -0.19 0.70 0.00 0.00 0.00 0.00 176.54 177.04 1w2q h MET 74 N 0.00 0.12 -0.65 0.00 -1.53 0.86 0.48 114.93 114.21 1w2q h MET 74 Ca 0.22 -0.01 0.14 0.00 -3.44 0.00 0.00 59.70 56.61 1w2q h MET 74 Cb 1.61 -0.03 -0.11 0.00 -0.55 0.00 0.00 31.60 32.53 1w2q h MET 74 CO -0.00 0.08 0.01 0.00 0.14 0.00 0.00 176.91 177.13 1w2q h GLU 76 N 0.12 0.00 0.06 0.00 4.39 -0.24 -0.28 114.58 118.62 1w2q h GLU 76 Ca 0.34 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1w2q h GLU 76 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1w2q h GLU 76 CO -0.56 0.05 -0.03 0.00 -1.16 0.00 0.00 179.01 177.31 1w2q h ALA 77 N 1.95 -0.08 -0.69 3.43 0.00 0.23 -2.50 119.26 121.60 1w2q h ALA 77 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1w2q h ALA 77 Cb 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1w2q h ALA 77 CO 0.01 -0.14 0.43 1.25 0.00 0.00 0.00 179.25 180.80 1w2q h LEU 78 N -0.89 0.82 -0.94 0.00 5.85 -0.73 -1.76 115.31 117.67 1w2q h LEU 78 Ca -0.01 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1w2q h LEU 78 Cb 0.63 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1w2q h LEU 78 CO 0.01 0.63 0.60 -0.61 -0.34 0.00 0.00 178.44 178.73 1w2q h GLN 79 N 0.94 1.03 0.29 1.25 4.15 -1.13 -2.21 115.11 119.43 1w2q h GLN 79 Ca 0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1w2q h GLN 79 Cb -0.05 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.40 1w2q h GLN 79 CO -0.05 0.68 -0.17 1.96 -1.93 0.00 0.00 178.83 179.32 1w2q h GLN 80 N 1.06 -0.43 -0.40 1.69 4.20 -0.85 -1.83 115.11 118.56 1w2q h GLN 80 Ca 0.42 0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.20 1w2q h GLN 80 Cb 0.22 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.02 1w2q h GLN 80 CO -0.19 -0.29 -0.52 0.82 -0.67 0.00 0.00 178.83 177.99 1w2q h ILE 81 N -0.44 0.00 -0.61 2.54 2.04 -0.97 1.19 117.51 121.25 1w2q h ILE 81 Ca -0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.95 1w2q h ILE 81 Cb 0.37 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.33 1w2q h ILE 81 CO 0.03 0.00 -0.23 0.24 0.00 0.00 0.00 178.15 178.19 1w2q h MET 82 N -0.35 -0.07 0.00 2.37 2.86 -1.32 1.85 114.93 120.27 1w2q h MET 82 Ca 0.07 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1w2q h MET 82 Cb 0.54 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1w2q h MET 82 CO -0.56 -0.05 0.00 0.93 1.06 0.00 0.00 176.91 178.29 1w2q h GLU 83 N -0.08 0.00 0.00 1.72 5.08 -0.05 0.14 114.58 121.40 1w2q h GLU 83 Ca 0.28 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1w2q h GLU 83 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1w2q h GLU 83 CO -0.66 0.00 -0.46 -0.97 -1.00 0.00 0.00 179.01 175.92 1w2q h ASN 84 N 0.00 0.00 -0.27 1.42 -0.73 1.19 -3.38 115.58 113.81 1w2q h ASN 84 Ca 0.00 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.91 1w2q h ASN 84 Cb 0.30 0.00 -0.20 0.00 0.27 0.00 0.00 38.32 38.69 1w2q h ASN 84 CO 0.00 0.46 -0.54 0.00 -0.37 0.00 0.00 177.43 176.98 1w2q n GLN 85 N -3.56 1.11 -1.89 6.67 6.02 -0.68 -4.96 117.38 120.10 1w2q n GLN 85 Ca -0.00 -2.14 -0.06 0.00 -0.01 0.00 0.00 57.00 54.79 1w2q n GLN 85 Cb 0.57 -0.66 0.07 0.00 1.02 0.00 0.00 30.24 31.24 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 1.86 0.00 0.00 0.00 3.32 -1.89 -3.20 116.42 116.51 1w2q h ASP 87 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1w2q h ASP 87 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1w2q h ASP 87 CO 0.31 0.35 -0.09 0.54 -1.72 0.00 0.00 179.24 178.63 1w2q n ARG 88 N -3.67 1.34 -0.13 3.56 1.74 -1.26 -4.77 116.66 113.46 1w2q n ARG 88 Ca -0.01 -1.58 -0.10 0.00 -0.77 0.00 0.00 57.85 55.39 1w2q n ARG 88 Cb 0.46 -0.98 -0.02 0.00 -1.02 0.00 0.00 32.46 30.90 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 0.00 0.65 -1.25 0.55 5.85 -1.85 -2.65 115.31 116.60 1w2q h LEU 89 Ca 0.00 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1w2q h LEU 89 Cb 0.92 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1w2q h LEU 89 CO 0.00 0.77 -0.19 -0.61 -0.34 0.00 0.00 178.44 178.07 1w2q h GLN 90 N 0.50 0.27 0.00 1.25 4.15 -1.79 -1.94 115.11 117.55 1w2q h GLN 90 Ca 0.11 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1w2q h GLN 90 Cb 0.42 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1w2q h GLN 90 CO 0.01 0.46 -0.16 -0.44 -1.93 0.00 0.00 178.83 176.78 1w2q h ASP 91 N 0.25 0.00 -3.23 -0.69 3.32 -1.80 -3.43 116.42 110.85 1w2q h ASP 91 Ca 0.05 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.45 1w2q h ASP 91 Cb 0.49 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.88 1w2q h ASP 91 CO 0.03 0.16 -0.75 -0.13 -1.72 0.00 0.00 179.24 176.83 1w2q s ARG 92 N -4.22 1.94 0.43 3.56 0.52 -0.74 -4.98 118.95 115.46 1w2q s ARG 92 Ca -0.03 -1.26 0.27 0.00 -0.52 0.00 0.00 55.73 54.20 1w2q s ARG 92 Cb 0.13 -2.13 1.50 0.00 0.52 0.00 0.00 34.95 34.97 1w2q s ARG 92 CO 0.62 0.45 1.83 0.37 0.02 0.00 0.00 175.30 178.59 1w2q h GLN 93 N 3.18 0.00 -1.46 3.54 4.15 -1.83 -2.44 115.11 120.25 1w2q h GLN 93 Ca -0.48 0.00 0.42 0.00 0.77 0.00 0.00 58.65 59.37 1w2q h GLN 93 Cb 1.19 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.83 1w2q h GLN 93 CO 0.51 0.00 1.06 1.98 -1.93 0.00 0.00 178.83 180.45 1w2q h MET 94 N 0.00 0.00 -0.88 1.69 4.05 -1.94 0.68 114.93 118.53 1w2q h MET 94 Ca 0.00 0.00 0.17 0.00 -0.28 0.00 0.00 59.70 59.59 1w2q h MET 94 Cb 0.07 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.81 1w2q h MET 94 CO 0.00 0.00 0.57 -0.24 0.23 0.00 0.00 176.91 177.47 1w2q h VAL 95 N 0.00 0.76 0.00 -5.77 3.04 -1.33 0.33 116.25 113.29 1w2q h VAL 95 Ca 0.69 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 66.20 1w2q h VAL 95 Cb 2.81 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 32.25 1w2q h VAL 95 CO -0.01 0.10 0.00 0.00 -1.01 0.00 0.00 177.57 176.65 1w2q n GLN 96 N -4.55 0.00 -0.32 4.17 6.02 0.24 -1.79 117.38 121.16 1w2q n GLN 96 Ca 0.18 0.14 0.02 0.00 -0.01 0.00 0.00 57.00 57.34 1w2q n GLN 96 Cb 0.57 -0.82 0.09 0.00 1.02 0.00 0.00 30.24 31.10 1w2q n GLN 96 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1w2q h GLN 97 N 0.00 -0.02 -0.88 -1.09 5.75 -1.62 1.12 115.11 118.37 1w2q h GLN 97 Ca 0.00 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.64 1w2q h GLN 97 Cb 0.00 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.46 1w2q h GLN 97 CO 0.00 -0.01 0.48 0.35 -2.65 0.00 0.00 178.83 177.00 1w2q h PHE 98 N -0.02 0.86 -0.04 3.99 3.57 -0.46 0.39 116.94 125.22 1w2q h PHE 98 Ca 0.39 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.84 1w2q h PHE 98 Cb 0.63 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1w2q h PHE 98 CO -0.72 0.25 -0.40 -0.22 -2.23 0.00 0.00 178.31 174.98 1w2q h LYS 99 N 0.71 0.08 -0.04 1.11 3.64 0.20 0.13 116.57 122.39 1w2q h LYS 99 Ca 0.47 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1w2q h LYS 99 Cb 0.61 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1w2q h LYS 99 CO -0.33 0.48 -0.05 0.00 -2.27 0.00 0.00 179.45 177.28 1w2q h ARG 100 N 0.07 0.11 -0.46 1.90 3.08 0.22 -1.35 114.38 117.95 1w2q h ARG 100 Ca 0.01 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1w2q h ARG 100 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1w2q h ARG 100 CO 0.06 0.58 0.01 0.93 -1.07 0.00 0.00 179.97 180.47 1w2q h GLU 101 N -0.36 0.80 -0.65 0.04 5.08 -0.74 -2.48 114.58 116.27 1w2q h GLU 101 Ca 0.01 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1w2q h GLU 101 Cb 0.56 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1w2q h GLU 101 CO 0.01 0.86 0.43 -0.07 -1.00 0.00 0.00 179.01 179.24 1w2q h LEU 102 N 0.65 0.58 -1.82 1.33 3.38 -0.73 0.14 115.31 118.83 1w2q h LEU 102 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1w2q h LEU 102 Cb 0.49 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1w2q h LEU 102 CO 0.02 0.37 -0.13 0.24 0.09 0.00 0.00 178.44 179.03 1w2q h MET 103 N 0.66 0.00 0.04 1.13 2.86 -0.77 -2.13 114.93 116.73 1w2q h MET 103 Ca 0.28 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.67 1w2q h MET 103 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1w2q h MET 103 CO -0.09 0.13 -1.25 0.66 1.06 0.00 0.00 176.91 177.43 1w2q h SER 104 N 0.00 0.14 -0.77 1.22 4.64 -0.67 -3.33 113.55 114.79 1w2q h SER 104 Ca -0.00 -0.18 0.16 0.00 -0.47 0.00 0.00 61.79 61.30 1w2q h SER 104 Cb 0.26 -0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 62.16 1w2q h SER 104 CO 0.02 1.14 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.92 1w2q h LEU 105 N 0.03 -0.61 0.00 5.97 3.38 -0.60 1.79 115.31 125.27 1w2q h LEU 105 Ca -0.12 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1w2q h LEU 105 Cb 1.89 0.44 0.00 0.00 0.09 0.00 0.00 40.66 43.08 1w2q h LEU 105 CO 0.14 -0.24 0.00 -0.81 0.09 0.00 0.00 178.44 177.62 1w2q n PRO 106 N -5.46 0.16 -0.10 1.13 -0.04 -1.24 -2.71 135.00 126.73 1w2q n PRO 106 Ca 0.12 0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.52 1w2q n PRO 106 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.29 0.61 0.31 0.54 6.02 0.60 -3.81 117.38 120.35 1w2q n GLN 107 Ca 0.05 0.39 0.15 0.00 -0.01 0.00 0.00 57.00 57.58 1w2q n GLN 107 Cb 0.09 -1.64 0.74 0.00 1.02 0.00 0.00 30.24 30.46 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 -0.75 0.00 0.00 -1.09 4.20 -1.05 1.16 115.11 117.58 1w2q h GLN 108 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1w2q h GLN 108 Cb 1.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.35 1w2q h GLN 108 CO -0.22 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.94 1w2q n ASN 110 N -1.87 -3.34 -2.75 0.00 5.03 0.40 -4.91 115.26 107.82 1w2q n ASN 110 Ca 0.06 0.06 -0.28 0.00 0.87 0.00 0.00 54.58 55.29 1w2q n ASN 110 Cb 0.36 -1.04 -0.09 0.00 -1.02 0.00 0.00 39.78 37.99 1w2q n ASN 110 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1w2q n PHE 111 N -2.91 1.41 0.25 3.10 3.72 -1.25 -4.57 117.46 117.22 1w2q n PHE 111 Ca -0.02 -2.39 0.08 0.00 -0.05 0.00 0.00 57.45 55.06 1w2q n PHE 111 Cb 0.09 -2.06 0.63 0.00 -0.94 0.00 0.00 39.48 37.20 1w2q n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1w2q h ARG 112 N 4.09 0.01 -4.54 -1.08 3.08 -1.90 -3.42 114.38 110.63 1w2q h ARG 112 Ca 0.57 -0.00 -0.42 0.00 0.07 0.00 0.00 59.98 60.20 1w2q h ARG 112 Cb 0.80 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.76 1w2q h ARG 112 CO 1.11 0.01 1.66 0.00 -1.07 0.00 0.00 179.97 181.68 1w2q n ALA 113 N -2.54 0.46 -1.40 0.04 0.00 -1.26 -4.85 120.51 110.96 1w2q n ALA 113 Ca -0.03 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 1w2q n ALA 113 Cb 0.09 -2.09 0.20 0.00 0.00 0.00 0.00 19.45 17.65 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 7.71 -0.17 0.00 0.00 0.04 -1.26 -4.01 135.00 137.30 1w2q s PRO 114 Ca 1.23 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1w2q s PRO 114 Cb -1.05 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1w2q s PRO 114 CO 0.46 -3.02 0.00 0.94 0.04 0.00 0.00 177.00 175.43 1w2q n GLN 115 N -4.27 0.00 -0.46 4.56 7.27 -1.26 -4.55 117.38 118.66 1w2q n GLN 115 Ca 0.12 0.00 0.39 0.00 0.07 0.00 0.00 57.00 57.58 1w2q n GLN 115 Cb 0.59 0.00 0.65 0.00 2.41 0.00 0.00 30.24 33.89 1w2q n GLN 115 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1w2q n ARG 116 N 0.00 -0.03 -3.04 3.69 1.74 -1.26 -2.56 116.66 115.20 1w2q n ARG 116 Ca 0.00 1.17 -0.17 0.00 -0.77 0.00 0.00 57.85 58.08 1w2q n ARG 116 Cb 0.00 -2.34 -0.03 0.00 -1.02 0.00 0.00 32.46 29.07 1w2q n ARG 116 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w2q n ASP 118 N 1.84 2.92 -4.89 0.00 5.68 -1.06 -4.98 116.55 116.06 1w2q n ASP 118 Ca 0.18 -1.89 -0.29 0.00 -0.50 0.00 0.00 54.79 52.29 1w2q n ASP 118 Cb 0.56 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1w2q n ASP 118 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1w2q s LEU 119 N -1.05 3.85 -0.04 -2.12 1.43 -1.26 -4.96 118.68 114.52 1w2q s LEU 119 Ca 0.26 0.97 0.09 0.00 -1.03 0.00 0.00 54.13 54.42 1w2q s LEU 119 Cb 0.15 -3.85 0.34 0.00 0.03 0.00 0.00 46.19 42.86 1w2q s LEU 119 CO 0.20 -0.39 1.19 -0.90 0.23 0.00 0.00 176.35 176.68 1w2q n ASP 120 N -1.44 2.41 -0.31 2.29 5.68 -1.26 -4.28 116.55 119.64 1w2q n ASP 120 Ca 0.01 -2.17 0.20 0.00 -0.50 0.00 0.00 54.79 52.33 1w2q n ASP 120 Cb 0.54 -0.37 0.48 0.00 -1.14 0.00 0.00 41.12 40.63 1w2q n ASP 120 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1w2q h VAL 121 N 1.98 0.59 -1.04 2.12 2.07 -1.99 0.22 116.25 120.20 1w2q h VAL 121 Ca 0.00 -0.15 0.29 0.00 0.82 0.00 0.00 66.70 67.65 1w2q h VAL 121 Cb 0.75 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 30.50 1w2q h VAL 121 CO 0.09 0.08 0.63 0.28 0.02 0.00 0.00 177.57 178.67 1w2q h SER 122 N 0.45 0.54 -3.70 0.57 0.02 -1.83 -3.40 113.55 106.20 1w2q h SER 122 Ca 0.56 0.14 -0.56 0.00 -0.84 0.00 0.00 61.79 61.08 1w2q h SER 122 Cb 1.34 0.06 0.17 0.00 0.14 0.00 0.00 62.40 64.11 1w2q h SER 122 CO -0.27 0.01 0.14 0.61 -1.14 0.00 0.00 176.83 176.18 1w2q n GLY 123 N -1.36 -0.30 0.00 -3.77 0.00 0.75 -4.49 105.19 96.01 1w2q n GLY 123 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.21 3.11 0.31 -0.02 0.00 -1.26 -5.01 105.19 103.52 1w2q n GLY 124 Ca 0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.75 -0.91 1.61 3.08 -1.98 -1.73 114.38 115.20 1w2q h ARG 125 Ca 0.00 -0.12 0.26 0.00 0.07 0.00 0.00 59.98 60.20 1w2q h ARG 125 Cb 0.00 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1w2q h ARG 125 CO 0.00 0.63 0.71 0.00 -1.07 0.00 0.00 179.97 180.24