#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 -5.62 1.61 0.13 -2.12 -3.42 132.00 122.58 1w2q h PRO 2 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1w2q h PRO 2 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1w2q h PRO 2 CO 0.00 0.08 -0.34 -1.64 -0.23 0.00 0.00 178.00 175.87 1w2q s MET 3 N -3.71 4.02 0.13 0.86 -1.94 -1.26 -5.09 119.30 112.32 1w2q s MET 3 Ca 0.01 0.10 0.07 0.00 -1.71 0.00 0.00 55.69 54.16 1w2q s MET 3 Cb 0.10 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.56 1w2q s MET 3 CO 0.57 0.45 -0.15 1.03 -0.01 0.00 0.00 175.02 176.91 1w2q s ARG 4 N -0.17 1.09 0.15 2.03 0.52 -1.26 -5.15 118.95 116.16 1w2q s ARG 4 Ca 0.17 -1.28 0.10 0.00 -0.52 0.00 0.00 55.73 54.21 1w2q s ARG 4 Cb -0.13 -1.04 -0.04 0.00 0.52 0.00 0.00 34.95 34.25 1w2q s ARG 4 CO 0.06 0.21 -0.22 1.03 0.02 0.00 0.00 175.30 176.39 1w2q s ARG 5 N -2.65 1.59 0.39 3.54 0.52 -1.26 -5.01 118.95 116.07 1w2q s ARG 5 Ca 0.10 -1.34 0.12 0.00 -0.52 0.00 0.00 55.73 54.09 1w2q s ARG 5 Cb -0.05 -1.97 0.94 0.00 0.52 0.00 0.00 34.95 34.39 1w2q s ARG 5 CO 0.04 0.44 1.90 1.49 0.02 0.00 0.00 175.30 179.19 1w2q h GLU 6 N 3.58 0.53 -6.98 3.54 4.81 -2.08 -3.41 114.58 114.58 1w2q h GLU 6 Ca -0.49 -0.03 -0.51 0.00 -0.13 0.00 0.00 59.36 58.20 1w2q h GLU 6 Cb 1.18 -0.12 0.06 0.00 0.63 0.00 0.00 28.75 30.50 1w2q h GLU 6 CO 0.44 0.35 0.49 1.03 -0.73 0.00 0.00 179.01 180.60 1w2q s ARG 7 N -5.54 3.88 0.13 1.92 0.52 -1.26 -5.03 118.95 113.57 1w2q s ARG 7 Ca -0.09 1.80 -0.01 0.00 -0.52 0.00 0.00 55.73 56.91 1w2q s ARG 7 Cb 0.21 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 33.20 1w2q s ARG 7 CO 0.78 -0.46 0.18 0.41 0.02 0.00 0.00 175.30 176.23 1w2q n GLY 8 N 0.51 -0.25 3.37 -3.53 0.00 -1.26 -5.07 105.19 98.96 1w2q n GLY 8 Ca 0.06 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.14 3.43 0.38 1.61 0.52 -1.26 -4.99 118.95 115.49 1w2q s ARG 9 Ca 0.11 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1w2q s ARG 9 Cb -0.00 -2.76 0.75 0.00 0.52 0.00 0.00 34.95 33.46 1w2q s ARG 9 CO 0.08 0.12 1.97 1.96 0.02 0.00 0.00 175.30 179.45 1w2q h GLN 10 N 7.03 0.49 0.00 3.54 4.20 -2.03 -3.45 115.11 124.88 1w2q h GLN 10 Ca -0.31 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1w2q h GLN 10 Cb 1.20 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1w2q h GLN 10 CO 0.58 0.43 0.00 0.41 -0.67 0.00 0.00 178.83 179.59 1w2q n GLY 11 N -1.16 0.96 3.72 3.46 0.00 -1.26 -5.03 105.19 105.88 1w2q n GLY 11 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1w2q n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1w2q s ASP 12 N -2.85 7.31 0.96 1.61 2.15 -1.26 -5.02 116.67 119.57 1w2q s ASP 12 Ca 0.00 1.57 -0.12 0.00 0.43 0.00 0.00 52.55 54.43 1w2q s ASP 12 Cb 0.00 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.18 1w2q s ASP 12 CO 0.00 -0.14 0.66 -1.54 -0.17 0.00 0.00 175.17 173.98 1w2q n SER 13 N 3.40 -1.28 -4.60 -0.34 3.41 -1.26 -4.86 113.62 108.10 1w2q n SER 13 Ca 0.02 0.31 -0.39 0.00 -0.26 0.00 0.00 58.87 58.55 1w2q n SER 13 Cb 0.50 -1.29 0.04 0.00 -0.26 0.00 0.00 64.21 63.20 1w2q n SER 13 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1w2q n SER 14 N -2.48 0.80 0.00 4.04 7.64 -1.26 -4.83 113.62 117.52 1w2q n SER 14 Ca 0.08 0.88 0.12 0.00 1.01 0.00 0.00 58.87 60.97 1w2q n SER 14 Cb 0.54 -1.36 0.63 0.00 -1.01 0.00 0.00 64.21 63.01 1w2q n SER 14 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1w2q n SER 15 N -0.16 0.00 -0.32 6.43 3.41 -1.26 -3.57 113.62 118.15 1w2q n SER 15 Ca 0.12 -0.07 0.29 0.00 -0.26 0.00 0.00 58.87 58.95 1w2q n SER 15 Cb 0.44 -0.29 0.63 0.00 -0.26 0.00 0.00 64.21 64.73 1w2q n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1w2q h GLU 17 N 0.20 0.02 -0.01 0.00 4.81 -1.95 2.11 114.58 119.76 1w2q h GLU 17 Ca 0.58 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1w2q h GLU 17 Cb 1.88 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 1w2q h GLU 17 CO -0.17 0.01 0.01 0.00 -0.73 0.00 0.00 179.01 178.14 1w2q h ARG 18 N 0.02 0.00 0.00 1.92 3.08 -1.25 0.18 114.38 118.34 1w2q h ARG 18 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1w2q h ARG 18 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1w2q h ARG 18 CO -0.79 0.00 0.00 0.37 -1.07 0.00 0.00 179.97 178.48 1w2q h GLN 19 N 0.00 0.00 0.08 0.04 4.15 0.33 -3.22 115.11 116.49 1w2q h GLN 19 Ca 0.00 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.14 1w2q h GLN 19 Cb 0.03 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.74 1w2q h GLN 19 CO -0.00 0.00 -1.16 0.28 -1.93 0.00 0.00 178.83 176.01 1w2q h VAL 20 N 0.00 1.30 -0.12 2.39 2.07 -0.02 -3.06 116.25 118.81 1w2q h VAL 20 Ca 0.00 -2.41 0.03 0.00 0.82 0.00 0.00 66.70 65.14 1w2q h VAL 20 Cb 0.82 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1w2q h VAL 20 CO 0.00 0.74 0.35 0.44 0.02 0.00 0.00 177.57 179.11 1w2q h ASP 21 N 0.31 0.00 0.26 0.57 3.32 -1.55 1.30 116.42 120.62 1w2q h ASP 21 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1w2q h ASP 21 Cb 1.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.38 1w2q h ASP 21 CO 0.22 0.00 -0.33 0.54 -1.72 0.00 0.00 179.24 177.96 1w2q n ARG 22 N -3.16 0.72 -0.01 3.56 1.74 -1.16 -4.36 116.66 114.00 1w2q n ARG 22 Ca 0.01 -0.44 -0.10 0.00 -0.77 0.00 0.00 57.85 56.55 1w2q n ARG 22 Cb 0.43 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 1w2q n ARG 22 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1w2q h VAL 23 N 1.08 0.00 -6.44 1.55 2.07 0.17 -3.46 116.25 111.22 1w2q h VAL 23 Ca 0.00 0.00 -0.41 0.00 0.82 0.00 0.00 66.70 67.11 1w2q h VAL 23 Cb 0.52 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1w2q h VAL 23 CO 0.00 0.00 -0.86 -3.20 0.02 0.00 0.00 177.57 173.53 1w2q n ASN 24 N -4.43 -5.37 -3.51 0.57 5.15 -1.26 -4.87 115.26 101.55 1w2q n ASN 24 Ca -0.04 -0.87 -0.36 0.00 -0.60 0.00 0.00 54.58 52.72 1w2q n ASN 24 Cb 0.25 -2.62 -0.01 0.00 -0.53 0.00 0.00 39.78 36.87 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 -3.10 5.93 -0.20 1.20 4.77 -1.26 -4.80 117.00 119.54 1w2q n LEU 25 Ca -0.19 -5.44 -0.10 0.00 -0.03 0.00 0.00 56.01 50.25 1w2q n LEU 25 Cb 0.62 -0.96 0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1w2q n LEU 25 CO 0.64 2.06 0.79 0.50 -1.33 0.00 0.00 177.39 180.05 1w2q h LYS 26 N 4.15 1.04 -0.14 3.23 3.64 -1.97 -2.80 116.57 123.71 1w2q h LYS 26 Ca 0.31 -0.35 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1w2q h LYS 26 Cb 0.48 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1w2q h LYS 26 CO 1.07 1.04 -0.35 -1.00 -2.27 0.00 0.00 179.45 177.95 1w2q h PRO 27 N 0.93 0.29 0.04 1.90 0.13 -1.98 -1.30 132.00 132.00 1w2q h PRO 27 Ca 0.16 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1w2q h PRO 27 Cb 0.59 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1w2q h PRO 27 CO 0.04 0.60 -0.02 0.00 -0.23 0.00 0.00 178.00 178.39 1w2q h GLU 29 N -0.43 0.48 0.00 0.00 4.81 -1.45 -0.22 114.58 117.76 1w2q h GLU 29 Ca -0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1w2q h GLU 29 Cb 0.40 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1w2q h GLU 29 CO 0.01 0.45 -0.03 1.96 -0.73 0.00 0.00 179.01 180.67 1w2q h GLN 30 N 0.47 0.00 0.15 1.92 4.20 -1.02 0.24 115.11 121.07 1w2q h GLN 30 Ca 0.11 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.59 1w2q h GLN 30 Cb 0.19 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.00 1w2q h GLN 30 CO -0.00 0.03 -1.01 1.12 -0.67 0.00 0.00 178.83 178.29 1w2q h HIS 31 N 0.00 0.74 -0.08 2.96 2.07 -0.30 -1.37 115.15 119.17 1w2q h HIS 31 Ca -0.00 -0.51 -0.17 0.00 -2.85 0.00 0.00 60.37 56.84 1w2q h HIS 31 Cb 0.40 -0.04 0.01 0.00 2.57 0.00 0.00 27.41 30.35 1w2q h HIS 31 CO 0.00 1.38 -0.62 0.82 -3.07 0.00 0.00 177.93 176.43 1w2q h ILE 32 N -0.11 1.36 -0.55 6.12 2.04 -1.15 -2.53 117.51 122.69 1w2q h ILE 32 Ca -0.17 -1.94 -0.06 0.00 1.00 0.00 0.00 64.86 63.69 1w2q h ILE 32 Cb 1.77 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 40.09 1w2q h ILE 32 CO 0.19 0.59 0.12 0.24 0.00 0.00 0.00 178.15 179.29 1w2q h MET 33 N 0.17 0.90 -0.62 2.37 2.86 -0.63 -1.19 114.93 118.79 1w2q h MET 33 Ca -0.06 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1w2q h MET 33 Cb 1.28 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 1w2q h MET 33 CO 0.13 0.85 0.26 1.96 1.06 0.00 0.00 176.91 181.17 1w2q h GLN 34 N 0.80 0.89 -0.16 1.72 1.08 -1.27 -1.16 115.11 117.01 1w2q h GLN 34 Ca 0.17 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1w2q h GLN 34 Cb 0.37 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1w2q h GLN 34 CO 0.01 0.72 -0.18 -0.09 -0.95 0.00 0.00 178.83 178.33 1w2q h ARG 35 N 0.88 0.41 0.00 1.46 2.43 -1.09 -2.59 114.38 115.87 1w2q h ARG 35 Ca 0.21 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1w2q h ARG 35 Cb 0.15 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1w2q h ARG 35 CO -0.02 0.79 0.00 0.44 -1.51 0.00 0.00 179.97 179.67 1w2q n ILE 36 N -4.50 0.97 -0.34 1.20 -5.35 -0.48 -3.29 119.36 107.57 1w2q n ILE 36 Ca -0.06 0.24 0.28 0.00 -0.27 0.00 0.00 62.75 62.94 1w2q n ILE 36 Cb 0.39 -1.02 0.54 0.00 -1.74 0.00 0.00 39.64 37.80 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 0.19 0.00 6.28 2.86 -0.79 -3.43 114.93 120.04 1w2q h MET 37 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1w2q h MET 37 Cb 0.19 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1w2q h MET 37 CO 0.00 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.51 1w2q n GLY 38 N -1.32 0.09 0.59 8.32 0.00 -1.21 -4.09 105.19 107.58 1w2q n GLY 38 Ca 0.34 -0.00 0.39 0.00 0.00 0.00 0.00 46.02 46.75 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 -5.53 1.61 5.08 -1.94 -3.36 114.58 110.44 1w2q h GLU 39 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1w2q h GLU 39 Cb 0.00 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 28.95 1w2q h GLU 39 CO 0.00 0.00 -0.83 -0.65 -1.00 0.00 0.00 179.01 176.53 1w2q s GLN 40 N -4.74 1.44 -0.04 2.33 -0.21 -1.26 -5.13 119.66 112.05 1w2q s GLN 40 Ca -0.04 -0.60 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 1w2q s GLN 40 Cb 0.21 -1.36 0.03 0.00 1.00 0.00 0.00 33.01 32.89 1w2q s GLN 40 CO 0.73 0.34 0.09 -1.21 -2.12 0.00 0.00 175.29 173.12 1w2q s GLU 41 N -0.31 0.02 -1.32 2.91 2.02 -1.26 -4.71 118.70 116.06 1w2q s GLU 41 Ca 0.04 0.29 -0.03 0.00 0.02 0.00 0.00 54.97 55.30 1w2q s GLU 41 Cb -0.07 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 33.94 1w2q s GLU 41 CO -0.00 -0.18 0.91 1.04 0.02 0.00 0.00 175.26 177.05 1w2q n GLN 42 N 4.27 -5.99 -0.36 1.61 6.02 -1.26 -4.86 117.38 116.81 1w2q n GLN 42 Ca -0.26 0.72 -0.01 0.00 -0.01 0.00 0.00 57.00 57.44 1w2q n GLN 42 Cb 0.51 -5.54 0.13 0.00 1.02 0.00 0.00 30.24 26.36 1w2q n GLN 42 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1w2q h TYR 43 N -2.04 1.23 -3.79 1.08 3.20 -1.99 -3.42 116.97 111.23 1w2q h TYR 43 Ca -0.59 0.03 -0.45 0.00 3.14 0.00 0.00 58.73 60.85 1w2q h TYR 43 Cb 1.36 -0.41 0.14 0.00 1.54 0.00 0.00 36.73 39.35 1w2q h TYR 43 CO 0.48 0.76 0.36 0.16 -1.64 0.00 0.00 178.16 178.27 1w2q s ASP 44 N -6.11 3.64 -0.05 -2.11 1.47 -1.26 -5.09 116.67 107.16 1w2q s ASP 44 Ca -0.13 0.26 0.02 0.00 1.18 0.00 0.00 52.55 53.88 1w2q s ASP 44 Cb 0.18 -0.46 0.01 0.00 -0.34 0.00 0.00 42.92 42.31 1w2q s ASP 44 CO 0.82 -2.39 -0.11 -0.55 0.68 0.00 0.00 175.17 173.61 1w2q s SER 45 N -4.79 1.63 -0.03 2.11 0.15 -1.26 -5.12 113.70 106.38 1w2q s SER 45 Ca 0.70 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 57.14 1w2q s SER 45 Cb -0.06 -0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1w2q s SER 45 CO 0.50 0.04 -0.19 -0.31 1.20 0.00 0.00 173.24 174.48 1w2q s TYR 46 N 0.55 2.54 1.06 3.44 1.51 -1.26 -5.12 117.35 120.07 1w2q s TYR 46 Ca -0.11 -0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 55.50 1w2q s TYR 46 Cb -0.14 -1.56 0.23 0.00 -0.11 0.00 0.00 41.96 40.37 1w2q s TYR 46 CO 0.03 0.10 1.18 0.16 -1.11 0.00 0.00 175.55 175.91 1w2q s ASP 47 N -0.74 2.16 0.33 2.29 1.47 -1.26 -4.89 116.67 116.03 1w2q s ASP 47 Ca 0.11 0.62 0.04 0.00 1.18 0.00 0.00 52.55 54.49 1w2q s ASP 47 Cb -0.10 -0.89 0.58 0.00 -0.34 0.00 0.00 42.92 42.17 1w2q s ASP 47 CO 0.00 -3.35 1.87 0.40 0.68 0.00 0.00 175.17 174.77 1w2q h ILE 48 N -2.06 1.20 -1.05 2.11 2.04 -2.00 -2.10 117.51 115.66 1w2q h ILE 48 Ca -0.46 -0.77 0.30 0.00 1.00 0.00 0.00 64.86 64.92 1w2q h ILE 48 Cb 1.29 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 1w2q h ILE 48 CO 0.42 0.27 0.74 0.03 0.00 0.00 0.00 178.15 179.61 1w2q h ARG 49 N 0.54 0.06 -6.10 2.37 3.08 -2.05 -3.39 114.38 108.89 1w2q h ARG 49 Ca 0.12 -0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.61 1w2q h ARG 49 Cb 0.31 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1w2q h ARG 49 CO 0.01 0.04 -0.50 -1.12 -1.07 0.00 0.00 179.97 177.32 1w2q s SER 50 N -5.38 6.04 0.00 7.04 0.01 -0.79 -5.07 113.70 115.55 1w2q s SER 50 Ca -0.06 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1w2q s SER 50 Cb 0.23 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1w2q s SER 50 CO 0.79 0.06 0.00 0.41 0.41 0.00 0.00 173.24 174.91 1w2q n THR 51 N -0.44 0.00 -4.29 1.44 -1.04 -1.26 -4.76 114.28 103.93 1w2q n THR 51 Ca -0.07 0.19 -0.22 0.00 -2.04 0.00 0.00 64.05 61.91 1w2q n THR 51 Cb 0.54 -0.97 -0.12 0.00 -1.82 0.00 0.00 70.33 67.96 1w2q n THR 51 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1w2q s ARG 52 N -0.38 1.14 0.55 -2.82 0.52 -1.26 -5.01 118.95 111.69 1w2q s ARG 52 Ca 0.00 -1.24 0.33 0.00 -0.52 0.00 0.00 55.73 54.30 1w2q s ARG 52 Cb 0.00 -1.26 1.49 0.00 0.52 0.00 0.00 34.95 35.69 1w2q s ARG 52 CO 0.00 0.27 2.04 0.77 0.02 0.00 0.00 175.30 178.40 1w2q h SER 53 N 3.72 0.00 -0.03 0.23 0.02 -2.00 -2.65 113.55 112.85 1w2q h SER 53 Ca -0.43 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 1w2q h SER 53 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1w2q h SER 53 CO 0.45 0.05 0.38 0.28 -1.14 0.00 0.00 176.83 176.85 1w2q h SER 54 N 0.00 0.00 0.00 3.07 0.02 -2.03 0.13 113.55 114.75 1w2q h SER 54 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1w2q h SER 54 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1w2q h SER 54 CO 0.01 0.00 0.13 0.44 -1.14 0.00 0.00 176.83 176.27 1w2q h ASP 55 N 0.00 0.00 0.49 3.07 3.32 -1.90 0.80 116.42 122.19 1w2q h ASP 55 Ca 0.01 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.87 1w2q h ASP 55 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1w2q h ASP 55 CO -0.00 0.00 -0.85 1.56 -1.72 0.00 0.00 179.24 178.23 1w2q h GLN 56 N 0.00 0.26 -0.76 3.56 4.20 -1.00 -3.20 115.11 118.17 1w2q h GLN 56 Ca 0.00 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 1w2q h GLN 56 Cb 0.26 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1w2q h GLN 56 CO 0.00 0.96 0.31 1.96 -0.67 0.00 0.00 178.83 181.39 1w2q h GLN 57 N 0.15 1.13 -0.91 1.46 4.20 -1.03 -1.85 115.11 118.26 1w2q h GLN 57 Ca -0.05 -0.20 0.27 0.00 0.06 0.00 0.00 58.65 58.73 1w2q h GLN 57 Cb 1.46 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 29.02 1w2q h GLN 57 CO 0.13 0.92 1.00 1.96 -0.67 0.00 0.00 178.83 182.17 1w2q h GLN 58 N 1.10 0.00 0.43 1.46 4.20 -1.58 -0.52 115.11 120.20 1w2q h GLN 58 Ca 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 1w2q h GLN 58 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1w2q h GLN 58 CO -0.02 0.00 -0.24 -0.09 -0.67 0.00 0.00 178.83 177.81 1w2q h ARG 59 N 0.00 -0.60 -0.06 1.46 2.43 -1.50 0.87 114.38 116.98 1w2q h ARG 59 Ca 0.43 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.65 1w2q h ARG 59 Cb 2.43 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 32.10 1w2q h ARG 59 CO -0.00 -0.40 -0.07 0.00 -1.51 0.00 0.00 179.97 177.99 1w2q h ASP 62 N 0.14 0.60 -0.06 0.00 3.32 0.42 -0.08 116.42 120.76 1w2q h ASP 62 Ca 0.57 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.66 1w2q h ASP 62 Cb 1.17 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1w2q h ASP 62 CO -0.72 0.26 -0.03 -0.33 -1.72 0.00 0.00 179.24 176.70 1w2q h GLU 63 N 0.61 0.13 0.00 3.56 5.08 0.33 -2.18 114.58 122.10 1w2q h GLU 63 Ca 0.49 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1w2q h GLU 63 Cb 0.94 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1w2q h GLU 63 CO -0.24 0.50 0.02 1.28 -1.00 0.00 0.00 179.01 179.57 1w2q n LEU 64 N -4.80 0.23 0.16 1.33 4.77 -0.16 0.11 117.00 118.63 1w2q n LEU 64 Ca -0.07 0.59 0.03 0.00 -0.03 0.00 0.00 56.01 56.53 1w2q n LEU 64 Cb 0.25 -0.62 0.21 0.00 -2.33 0.00 0.00 43.42 40.92 1w2q n LEU 64 CO 0.35 -0.67 0.56 -1.13 -1.33 0.00 0.00 177.39 175.17 1w2q h ASN 65 N 0.00 0.00 0.00 -1.43 -1.24 -0.54 -3.36 115.58 109.01 1w2q h ASN 65 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1w2q h ASN 65 Cb 0.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1w2q h ASN 65 CO 0.00 0.50 0.00 1.21 -1.29 0.00 0.00 177.43 177.85 1w2q n GLU 66 N -3.52 0.00 0.14 6.67 2.13 0.24 -4.85 120.64 121.44 1w2q n GLU 66 Ca -0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1w2q n GLU 66 Cb 0.61 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.24 1w2q n GLU 66 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1w2q h MET 67 N 0.00 -0.69 -0.01 5.31 4.05 0.56 0.14 114.93 124.28 1w2q h MET 67 Ca 0.00 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1w2q h MET 67 Cb 0.00 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1w2q h MET 67 CO 0.00 -0.46 0.00 0.39 0.23 0.00 0.00 176.91 177.07 1w2q n GLU 68 N -5.48 1.03 -4.16 0.39 1.02 -0.37 -4.88 120.64 108.19 1w2q n GLU 68 Ca -0.08 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.70 1w2q n GLU 68 Cb 0.40 -1.17 -0.06 0.00 -0.02 0.00 0.00 31.44 30.60 1w2q n GLU 68 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1w2q n ASN 69 N -0.61 -0.29 -4.84 1.62 4.13 0.48 -4.90 115.26 110.84 1w2q n ASN 69 Ca 0.08 -1.19 -0.29 0.00 1.68 0.00 0.00 54.58 54.86 1w2q n ASN 69 Cb 0.05 -2.11 0.11 0.00 -1.54 0.00 0.00 39.78 36.29 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 -4.12 2.17 -0.41 3.41 -4.23 -1.26 -5.03 115.64 106.17 1w2q s THR 70 Ca 0.08 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1w2q s THR 70 Cb -0.04 -2.93 0.36 0.00 1.34 0.00 0.00 72.50 71.23 1w2q s THR 70 CO 0.96 -0.07 1.29 1.67 -0.54 0.00 0.00 174.62 177.92 1w2q n GLN 71 N -3.49 1.12 -0.07 3.99 7.27 -1.26 -4.92 117.38 120.01 1w2q n GLN 71 Ca 0.07 -1.81 0.00 0.00 0.07 0.00 0.00 57.00 55.33 1w2q n GLN 71 Cb 0.60 -0.31 0.00 0.00 2.41 0.00 0.00 30.24 32.94 1w2q n GLN 71 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1w2q n GLY 72 N -0.33 0.71 0.00 1.69 0.00 -1.26 -4.89 105.19 101.11 1w2q n GLY 72 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 0.01 -0.73 0.00 2.86 -1.92 0.17 114.93 115.32 1w2q h MET 74 Ca 0.00 -0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 1w2q h MET 74 Cb 0.00 -0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.53 1w2q h MET 74 CO 0.00 0.00 -0.36 0.00 1.06 0.00 0.00 176.91 177.61 1w2q h GLU 76 N -0.11 0.00 0.01 0.00 5.08 -0.99 -1.36 114.58 117.21 1w2q h GLU 76 Ca 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1w2q h GLU 76 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1w2q h GLU 76 CO -0.79 0.01 -0.01 0.00 -1.00 0.00 0.00 179.01 177.23 1w2q h ALA 77 N 1.99 -0.02 -0.74 3.43 0.00 0.43 -2.59 119.26 121.75 1w2q h ALA 77 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1w2q h ALA 77 Cb 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1w2q h ALA 77 CO 0.00 -0.14 0.40 -0.07 0.00 0.00 0.00 179.25 179.44 1w2q h LEU 78 N -0.75 0.93 -0.86 0.00 3.38 -0.48 0.62 115.31 118.14 1w2q h LEU 78 Ca -0.00 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1w2q h LEU 78 Cb 0.71 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1w2q h LEU 78 CO 0.00 0.76 0.52 1.56 0.09 0.00 0.00 178.44 181.37 1w2q h GLN 79 N 1.02 0.89 -0.03 1.13 1.08 -1.32 -0.45 115.11 117.44 1w2q h GLN 79 Ca 0.26 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1w2q h GLN 79 Cb 0.04 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1w2q h GLN 79 CO -0.04 0.59 -0.08 1.96 -0.95 0.00 0.00 178.83 180.31 1w2q h GLN 80 N 0.92 0.10 0.05 1.46 1.08 -0.97 -2.15 115.11 115.60 1w2q h GLN 80 Ca 0.39 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.53 1w2q h GLN 80 Cb 0.25 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1w2q h GLN 80 CO -0.20 0.69 -0.46 0.82 -0.95 0.00 0.00 178.83 178.73 1w2q h ILE 81 N -0.47 0.00 -0.60 2.54 2.04 -0.47 1.15 117.51 121.70 1w2q h ILE 81 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1w2q h ILE 81 Cb 0.70 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.69 1w2q h ILE 81 CO 0.02 0.00 0.08 -0.03 0.00 0.00 0.00 178.15 178.22 1w2q h MET 82 N -0.62 0.19 0.00 2.37 4.05 -1.18 1.16 114.93 120.91 1w2q h MET 82 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1w2q h MET 82 Cb 0.64 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1w2q h MET 82 CO -0.28 0.13 0.00 0.39 0.23 0.00 0.00 176.91 177.38 1w2q n GLU 83 N -5.19 0.10 0.13 0.39 1.02 -0.48 0.15 120.64 116.77 1w2q n GLU 83 Ca 0.09 0.37 0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1w2q n GLU 83 Cb 0.34 -1.71 0.05 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.24 1.04 -3.38 115.58 113.62 1w2q h ASN 84 Ca 0.00 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1w2q h ASN 84 Cb 0.27 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.26 1w2q h ASN 84 CO 0.00 0.00 -0.57 0.00 -1.29 0.00 0.00 177.43 175.57 1w2q n GLN 85 N -2.78 0.00 0.00 6.67 6.02 -0.61 -4.80 117.38 121.88 1w2q n GLN 85 Ca 0.01 -1.14 0.11 0.00 -0.01 0.00 0.00 57.00 55.97 1w2q n GLN 85 Cb 0.54 -0.40 0.00 0.00 1.02 0.00 0.00 30.24 31.40 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 0.57 0.00 0.00 0.00 3.32 -1.81 0.25 116.42 118.75 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 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1w2q h ASP 87 CO 0.00 0.00 -0.08 0.54 -1.72 0.00 0.00 179.24 177.98 1w2q n ARG 88 N -3.27 1.32 -0.02 3.56 1.74 -1.26 -4.78 116.66 113.94 1w2q n ARG 88 Ca 0.04 -2.00 -0.09 0.00 -0.77 0.00 0.00 57.85 55.03 1w2q n ARG 88 Cb 0.62 -1.18 -0.04 0.00 -1.02 0.00 0.00 32.46 30.85 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 -0.01 -0.99 0.55 5.85 -0.68 0.87 115.31 120.90 1w2q h LEU 89 Ca 0.00 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.89 1w2q h LEU 89 Cb 0.97 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.95 1w2q h LEU 89 CO 0.00 0.02 0.61 1.56 -0.34 0.00 0.00 178.44 180.28 1w2q h GLN 90 N 0.08 0.85 -0.23 1.25 4.20 -1.87 0.43 115.11 119.84 1w2q h GLN 90 Ca 0.07 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1w2q h GLN 90 Cb 0.07 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1w2q h GLN 90 CO -0.10 0.56 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.85 1w2q h ASP 91 N 0.88 0.67 0.53 1.46 3.32 -1.66 -2.92 116.42 118.70 1w2q h ASP 91 Ca 0.52 -0.51 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1w2q h ASP 91 Cb 0.65 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1w2q h ASP 91 CO -0.32 1.06 -0.20 0.03 -1.72 0.00 0.00 179.24 178.09 1w2q h ARG 92 N 0.31 0.00 -5.79 3.56 3.08 0.48 -3.46 114.38 112.56 1w2q h ARG 92 Ca 0.02 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.71 1w2q h ARG 92 Cb 0.91 0.00 0.14 0.00 0.08 0.00 0.00 29.97 31.09 1w2q h ARG 92 CO 0.08 0.20 -0.76 1.04 -1.07 0.00 0.00 179.97 179.46 1w2q n GLN 93 N -3.64 -6.60 -0.09 0.04 6.02 0.14 -4.89 117.38 108.35 1w2q n GLN 93 Ca -0.01 0.80 0.05 0.00 -0.01 0.00 0.00 57.00 57.83 1w2q n GLN 93 Cb 0.33 -5.75 0.07 0.00 1.02 0.00 0.00 30.24 25.91 1w2q n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1w2q n MET 94 N -4.37 1.60 0.17 -1.09 0.00 -1.25 -4.72 117.12 107.47 1w2q n MET 94 Ca -0.21 -1.96 0.19 0.00 0.00 0.00 0.00 57.70 55.72 1w2q n MET 94 Cb 0.64 -1.18 0.80 0.00 0.00 0.00 0.00 33.22 33.48 1w2q n MET 94 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 1w2q h VAL 95 N 0.91 0.34 0.00 3.17 -1.51 -1.90 0.81 116.25 118.06 1w2q h VAL 95 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1w2q h VAL 95 Cb 0.89 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1w2q h VAL 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1w2q n GLN 96 N -3.61 0.00 -0.34 5.19 6.02 -1.26 -1.41 117.38 121.98 1w2q n GLN 96 Ca 0.04 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.20 1w2q n GLN 96 Cb 0.47 -0.23 0.33 0.00 1.02 0.00 0.00 30.24 31.83 1w2q n GLN 96 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1w2q n GLN 97 N -0.21 -0.08 -0.15 -1.09 6.02 -1.23 0.16 117.38 120.81 1w2q n GLN 97 Ca 0.00 1.47 -0.08 0.00 -0.01 0.00 0.00 57.00 58.38 1w2q n GLN 97 Cb 0.00 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 28.89 1w2q n GLN 97 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1w2q h PHE 98 N 0.00 0.65 -0.03 1.08 3.57 -1.00 0.21 116.94 121.42 1w2q h PHE 98 Ca 0.63 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 62.03 1w2q h PHE 98 Cb 1.37 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1w2q h PHE 98 CO -0.44 0.52 -0.31 -0.22 -2.23 0.00 0.00 178.31 175.62 1w2q h LYS 99 N 0.59 0.05 0.04 1.11 3.64 0.28 0.29 116.57 122.57 1w2q h LYS 99 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1w2q h LYS 99 Cb 0.11 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1w2q h LYS 99 CO -0.02 0.37 -0.02 0.00 -2.27 0.00 0.00 179.45 177.51 1w2q h ARG 100 N 0.05 -0.05 -0.33 1.90 3.08 0.97 -1.56 114.38 118.44 1w2q h ARG 100 Ca 0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1w2q h ARG 100 Cb 0.58 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1w2q h ARG 100 CO 0.04 0.53 -0.08 0.93 -1.07 0.00 0.00 179.97 180.32 1w2q h GLU 101 N -0.69 0.54 -0.44 0.04 4.39 -0.49 -2.62 114.58 115.31 1w2q h GLU 101 Ca -0.01 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1w2q h GLU 101 Cb 0.61 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1w2q h GLU 101 CO 0.01 0.63 0.21 -0.07 -1.16 0.00 0.00 179.01 178.62 1w2q h LEU 102 N 0.51 0.58 -0.91 1.33 3.38 -0.40 0.20 115.31 120.00 1w2q h LEU 102 Ca 0.10 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1w2q h LEU 102 Cb 0.45 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1w2q h LEU 102 CO 0.02 0.55 0.52 0.24 0.09 0.00 0.00 178.44 179.87 1w2q h MET 103 N 0.57 0.78 0.00 1.13 2.86 -0.89 0.04 114.93 119.41 1w2q h MET 103 Ca 0.15 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 1w2q h MET 103 Cb 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1w2q h MET 103 CO -0.02 0.51 -0.64 0.66 1.06 0.00 0.00 176.91 178.48 1w2q h SER 104 N 0.80 0.00 -0.88 1.22 4.64 -1.35 -3.32 113.55 114.66 1w2q h SER 104 Ca 0.47 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.97 1w2q h SER 104 Cb 0.55 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.47 1w2q h SER 104 CO -0.30 0.62 -0.17 0.25 -0.87 0.00 0.00 176.83 176.36 1w2q h LEU 105 N 0.00 -0.73 0.00 5.97 5.85 0.15 2.36 115.31 128.90 1w2q h LEU 105 Ca -0.01 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1w2q h LEU 105 Cb 1.48 0.52 0.00 0.00 0.37 0.00 0.00 40.66 43.03 1w2q h LEU 105 CO 0.08 -0.29 0.00 -0.81 -0.34 0.00 0.00 178.44 177.08 1w2q n PRO 106 N -5.53 0.18 -0.11 5.25 -0.04 -1.23 -2.75 135.00 130.77 1w2q n PRO 106 Ca 0.14 0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 63.53 1w2q n PRO 106 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.61 -0.42 0.54 1.13 0.78 -2.41 117.38 116.34 1w2q n GLN 107 Ca 0.06 0.34 0.40 0.00 -1.94 0.00 0.00 57.00 55.85 1w2q n GLN 107 Cb 0.09 -1.60 0.66 0.00 0.11 0.00 0.00 30.24 29.50 1w2q n GLN 107 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1w2q h GLN 108 N -0.70 0.00 0.00 -1.09 4.15 -1.06 2.31 115.11 118.71 1w2q h GLN 108 Ca -0.54 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.87 1w2q h GLN 108 Cb 1.62 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.31 1w2q h GLN 108 CO -0.24 0.00 -1.93 0.00 -1.93 0.00 0.00 178.83 174.73 1w2q n ASN 110 N -2.31 -2.17 -0.02 0.00 3.02 0.78 -4.85 115.26 109.70 1w2q n ASN 110 Ca -0.05 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.59 1w2q n ASN 110 Cb 0.59 -0.67 0.48 0.00 -0.61 0.00 0.00 39.78 39.56 1w2q n ASN 110 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1w2q n PHE 111 N -2.56 0.01 -1.58 3.10 3.72 -1.19 -4.89 117.46 114.07 1w2q n PHE 111 Ca 0.00 -0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.95 1w2q n PHE 111 Cb 0.04 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.57 1w2q n PHE 111 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1w2q n ARG 112 N -0.71 1.27 -3.79 -1.08 3.00 -1.01 -4.84 116.66 109.49 1w2q n ARG 112 Ca 0.12 0.45 -0.25 0.00 -0.00 0.00 0.00 57.85 58.17 1w2q n ARG 112 Cb 0.07 -1.81 -0.01 0.00 0.00 0.00 0.00 32.46 30.70 1w2q n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1w2q s ALA 113 N -1.09 4.28 -1.97 5.13 0.00 -1.26 -4.99 121.76 121.87 1w2q s ALA 113 Ca 0.59 -1.53 0.16 0.00 0.00 0.00 0.00 51.96 51.19 1w2q s ALA 113 Cb -0.69 -0.80 0.98 0.00 0.00 0.00 0.00 23.12 22.61 1w2q s ALA 113 CO 0.60 -0.39 1.40 -0.35 0.00 0.00 0.00 175.76 177.01 1w2q n PRO 114 N -1.69 0.50 -4.47 0.00 -0.04 -1.26 -4.70 135.00 123.34 1w2q n PRO 114 Ca 0.00 0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.21 1w2q n PRO 114 Cb 0.64 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 1w2q n PRO 114 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1w2q s GLN 115 N -2.03 1.32 -0.13 0.54 -0.21 -1.26 -5.12 119.66 112.76 1w2q s GLN 115 Ca 0.24 -1.14 -0.12 0.00 0.02 0.00 0.00 55.36 54.37 1w2q s GLN 115 Cb 0.11 -1.59 -0.05 0.00 1.00 0.00 0.00 33.01 32.49 1w2q s GLN 115 CO 0.19 0.39 0.26 1.03 -2.12 0.00 0.00 175.29 175.04 1w2q s ARG 116 N -1.67 4.01 0.52 2.91 0.52 -1.26 -4.95 118.95 119.03 1w2q s ARG 116 Ca 0.09 0.06 0.31 0.00 -0.52 0.00 0.00 55.73 55.66 1w2q s ARG 116 Cb -0.10 -3.34 1.45 0.00 0.52 0.00 0.00 34.95 33.48 1w2q s ARG 116 CO 0.04 0.44 1.86 0.00 0.02 0.00 0.00 175.30 177.66 1w2q s ASP 118 N -5.49 6.24 -0.17 0.00 2.15 -1.26 -4.93 116.67 113.19 1w2q s ASP 118 Ca -0.05 -0.49 -0.07 0.00 0.43 0.00 0.00 52.55 52.36 1w2q s ASP 118 Cb 0.22 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1w2q s ASP 118 CO 0.78 -1.59 0.07 -0.22 -0.17 0.00 0.00 175.17 174.04 1w2q s LEU 119 N 4.90 3.86 0.24 -1.34 2.96 -1.13 -4.98 118.68 123.19 1w2q s LEU 119 Ca 0.32 0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 54.30 1w2q s LEU 119 Cb -0.11 -1.97 0.25 0.00 0.50 0.00 0.00 46.19 44.87 1w2q s LEU 119 CO 0.16 0.21 1.88 0.44 -1.32 0.00 0.00 176.35 177.71 1w2q h ASP 120 N 6.46 1.10 -0.62 3.68 3.32 -1.94 -2.39 116.42 126.02 1w2q h ASP 120 Ca -0.39 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1w2q h ASP 120 Cb 1.17 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 1w2q h ASP 120 CO 0.69 0.87 0.28 0.58 -1.72 0.00 0.00 179.24 179.94 1w2q h VAL 121 N 1.24 1.22 -3.67 -1.35 2.07 -2.02 -3.43 116.25 110.31 1w2q h VAL 121 Ca 0.31 -0.65 -0.20 0.00 0.82 0.00 0.00 66.70 66.98 1w2q h VAL 121 Cb 0.00 0.50 -0.26 0.00 -1.52 0.00 0.00 31.29 30.02 1w2q h VAL 121 CO -0.05 0.26 -0.65 -0.55 0.02 0.00 0.00 177.57 176.59 1w2q s SER 122 N -6.05 0.01 0.16 0.57 0.15 -0.90 -5.15 113.70 102.47 1w2q s SER 122 Ca -0.13 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.33 1w2q s SER 122 Cb 0.13 0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.61 1w2q s SER 122 CO 0.79 -0.09 0.76 0.61 1.20 0.00 0.00 173.24 176.51 1w2q n GLY 123 N 2.67 0.82 0.00 9.45 0.00 -1.24 -2.85 105.19 114.04 1w2q n GLY 123 Ca -0.15 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.53 -1.59 0.19 -0.02 0.00 -1.26 -5.04 105.19 96.95 1w2q n GLY 124 Ca -0.02 1.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.93 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 0.60 -0.45 1.61 3.08 -2.02 -3.41 114.38 113.78 1w2q h ARG 125 Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1w2q h ARG 125 Cb 0.00 -0.13 -0.15 0.00 0.08 0.00 0.00 29.97 29.77 1w2q h ARG 125 CO 0.00 0.43 -0.25 0.00 -1.07 0.00 0.00 179.97 179.08