#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqn n LEU 22 N 0.00 3.07 -3.66 0.00 -0.00 -1.26 -4.80 117.00 110.35 2wqn n LEU 22 Ca 0.00 1.18 -0.29 0.00 -0.00 0.00 0.00 56.01 56.90 2wqn n LEU 22 Cb 0.00 -1.43 -0.12 0.00 -0.00 0.00 0.00 43.42 41.87 2wqn n LEU 22 CO 0.00 -0.65 -0.22 -0.13 -0.00 0.00 0.00 177.39 176.39 2wqn s ARG 23 N -1.29 1.40 0.41 1.96 0.52 -1.26 -5.01 118.95 115.67 2wqn s ARG 23 Ca 0.61 -2.26 0.11 0.00 -0.52 0.00 0.00 55.73 53.67 2wqn s ARG 23 Cb -0.62 -2.29 0.93 0.00 0.52 0.00 0.00 34.95 33.49 2wqn s ARG 23 CO 0.57 -1.24 1.95 -1.35 0.02 0.00 0.00 175.30 175.26 2wqn h PRO 24 N 6.24 0.52 0.00 3.54 0.11 -1.94 0.74 132.00 141.20 2wqn h PRO 24 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2wqn h PRO 24 Cb 0.89 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2wqn h PRO 24 CO 0.49 0.34 0.00 0.38 -0.21 0.00 0.00 178.00 179.00 2wqn h ASP 25 N 0.53 0.00 0.28 -2.05 2.03 -2.04 -3.20 116.42 111.98 2wqn h ASP 25 Ca 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.62 2wqn h ASP 25 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 2wqn h ASP 25 CO -0.10 0.00 -0.13 0.23 -1.03 0.00 0.00 179.24 178.20 2wqn n MET 26 N -2.86 0.82 0.00 4.15 2.81 0.25 -5.01 117.12 117.28 2wqn n MET 26 Ca 0.01 -0.35 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 2wqn n MET 26 Cb 0.26 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2wqn n MET 26 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wqn n GLY 27 N 1.28 2.44 0.20 3.03 0.00 -1.21 -1.10 105.19 109.82 2wqn n GLY 27 Ca 0.15 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2wqn n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wqn n TYR 28 N 14.00 0.12 -0.99 1.61 0.53 -1.26 -4.29 117.16 126.88 2wqn n TYR 28 Ca 0.00 -0.06 -0.02 0.00 -1.02 0.00 0.00 57.90 56.80 2wqn n TYR 28 Cb 0.00 0.00 0.34 0.00 -1.03 0.00 0.00 39.34 38.65 2wqn n TYR 28 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2wqn n ASN 29 N -0.26 5.20 -3.73 7.72 4.13 -0.26 -4.79 115.26 123.27 2wqn n ASN 29 Ca 0.08 -3.12 -0.13 0.00 1.68 0.00 0.00 54.58 53.08 2wqn n ASN 29 Cb 0.12 -0.73 -0.10 0.00 -1.54 0.00 0.00 39.78 37.53 2wqn n ASN 29 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2wqn s THR 30 N -2.91 0.01 0.37 3.41 -1.32 -1.26 -4.94 115.64 109.00 2wqn s THR 30 Ca 0.55 -0.11 0.10 0.00 -1.21 0.00 0.00 61.69 61.03 2wqn s THR 30 Cb 0.43 -0.59 0.12 0.00 -1.51 0.00 0.00 72.50 70.95 2wqn s THR 30 CO 0.15 -0.06 1.85 -0.07 -2.21 0.00 0.00 174.62 174.28 2wqn h LEU 31 N 5.03 0.15 -2.33 9.08 3.38 -1.94 -2.45 115.31 126.23 2wqn h LEU 31 Ca -0.27 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2wqn h LEU 31 Cb 1.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2wqn h LEU 31 CO 0.29 0.42 0.20 0.00 0.09 0.00 0.00 178.44 179.44 2wqn h ALA 32 N 1.60 1.54 -0.20 1.53 0.00 -1.96 -0.78 119.26 120.98 2wqn h ALA 32 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wqn h ALA 32 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wqn h ALA 32 CO 0.04 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.13 2wqn n ASN 33 N -3.44 1.78 -4.24 0.00 3.02 -0.92 -4.25 115.26 107.21 2wqn n ASN 33 Ca -0.00 -1.75 -0.26 0.00 -0.03 0.00 0.00 54.58 52.54 2wqn n ASN 33 Cb 0.29 -0.13 -0.14 0.00 -0.61 0.00 0.00 39.78 39.19 2wqn n ASN 33 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wqn s PHE 34 N -1.75 1.83 -0.22 3.10 0.08 -0.30 -0.17 117.98 120.55 2wqn s PHE 34 Ca 0.32 -0.37 -0.06 0.00 0.12 0.00 0.00 56.93 56.94 2wqn s PHE 34 Cb 0.17 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 2wqn s PHE 34 CO 0.25 0.06 0.02 0.50 -0.10 0.00 0.00 175.22 175.96 2wqn s ARG 35 N -1.02 3.62 -0.00 0.44 3.52 -0.66 -4.93 118.95 119.91 2wqn s ARG 35 Ca 0.08 -0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 2wqn s ARG 35 Cb -0.09 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 2wqn s ARG 35 CO 0.01 -0.07 1.24 0.42 -0.81 0.00 0.00 175.30 176.10 2wqn s ILE 36 N 1.23 4.06 -0.26 4.11 -1.09 -1.26 -1.91 121.20 126.08 2wqn s ILE 36 Ca 0.04 1.44 -0.02 0.00 -2.23 0.00 0.00 60.65 59.88 2wqn s ILE 36 Cb -0.15 -3.92 -0.16 0.00 -1.58 0.00 0.00 42.46 36.65 2wqn s ILE 36 CO 0.02 0.04 -0.23 -0.62 -1.23 0.00 0.00 174.94 172.92 2wqn n GLU 37 N 4.76 0.64 -3.60 2.79 1.02 0.59 -4.98 120.64 121.86 2wqn n GLU 37 Ca 0.11 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.30 2wqn n GLU 37 Cb 0.46 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 2wqn n GLU 37 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2wqn s LYS 38 N -2.52 0.74 -0.11 3.49 2.20 -1.08 -4.99 119.74 117.48 2wqn s LYS 38 Ca -0.35 0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 55.55 2wqn s LYS 38 Cb 0.10 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.75 2wqn s LYS 38 CO 0.59 -0.15 1.33 0.21 -0.36 0.00 0.00 175.35 176.97 2wqn s LYS 39 N -0.22 4.25 -0.00 4.03 2.20 -1.26 0.23 119.74 128.97 2wqn s LYS 39 Ca -0.01 1.79 0.06 0.00 -0.36 0.00 0.00 55.97 57.44 2wqn s LYS 39 Cb -0.03 -3.74 -0.06 0.00 -1.51 0.00 0.00 37.83 32.49 2wqn s LYS 39 CO 0.01 -0.66 0.24 0.44 -0.36 0.00 0.00 175.35 175.01 2wqn n ILE 40 N 5.16 0.00 -3.59 5.43 -5.35 0.36 -4.90 119.36 116.47 2wqn n ILE 40 Ca 0.14 -0.36 -0.15 0.00 -0.27 0.00 0.00 62.75 62.10 2wqn n ILE 40 Cb 0.45 0.99 -0.06 0.00 -1.74 0.00 0.00 39.64 39.28 2wqn n ILE 40 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2wqn s GLY 41 N -1.55 -0.43 -0.12 3.28 0.00 -0.70 -5.00 107.32 102.81 2wqn s GLY 41 Ca 0.02 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.59 2wqn s GLY 41 CO 0.23 0.53 -0.14 0.50 0.00 0.00 0.00 173.10 174.22 2wqn s ARG 42 N -1.67 2.18 0.51 2.90 3.00 -1.26 -0.79 118.95 123.82 2wqn s ARG 42 Ca -0.10 -0.53 0.07 0.00 0.00 0.00 0.00 55.73 55.17 2wqn s ARG 42 Cb -0.01 -1.91 0.04 0.00 0.00 0.00 0.00 34.95 33.06 2wqn s ARG 42 CO 0.05 -0.12 0.52 0.20 0.00 0.00 0.00 175.30 175.94 2wqn s GLY 43 N 1.16 2.10 0.24 -3.53 0.00 0.19 -4.99 107.32 102.49 2wqn s GLY 43 Ca -0.03 -1.70 0.03 0.00 0.00 0.00 0.00 44.72 43.02 2wqn s GLY 43 CO -0.04 -1.78 1.58 0.06 0.00 0.00 0.00 173.10 172.91 2wqn h GLN 44 N 0.65 0.30 0.00 2.90 3.07 -2.03 -3.33 115.11 116.67 2wqn h GLN 44 Ca -0.36 -0.19 0.00 0.00 0.09 0.00 0.00 58.65 58.19 2wqn h GLN 44 Cb 1.29 0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.87 2wqn h GLN 44 CO 0.52 0.78 -0.48 1.97 0.09 0.00 0.00 178.83 181.71 2wqn n PHE 45 N -3.92 0.00 -4.13 0.06 -0.00 -1.26 -5.07 117.46 103.14 2wqn n PHE 45 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.32 2wqn n PHE 45 Cb 0.59 -0.02 -0.09 0.00 -0.00 0.00 0.00 39.48 39.95 2wqn n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2wqn s SER 46 N -1.84 0.14 -0.07 5.98 1.04 -1.25 -4.32 113.70 113.39 2wqn s SER 46 Ca 0.02 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.26 2wqn s SER 46 Cb 0.05 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2wqn s SER 46 CO 0.29 -0.86 -0.18 -1.61 0.98 0.00 0.00 173.24 171.86 2wqn s GLU 47 N -4.09 2.19 -0.13 4.02 2.02 -1.01 0.55 118.70 122.24 2wqn s GLU 47 Ca 0.31 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.64 2wqn s GLU 47 Cb 0.06 -1.77 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 2wqn s GLU 47 CO 0.08 0.17 -0.12 0.08 0.02 0.00 0.00 175.26 175.49 2wqn s VAL 48 N 0.30 3.18 0.16 2.63 1.01 0.03 -1.63 120.40 126.08 2wqn s VAL 48 Ca -0.12 -0.62 0.11 0.00 0.00 0.00 0.00 61.98 61.36 2wqn s VAL 48 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2wqn s VAL 48 CO 0.05 0.52 -0.25 -0.31 0.00 0.00 0.00 175.10 175.11 2wqn s TYR 49 N 0.37 2.33 -0.04 5.22 2.02 0.37 -0.48 117.35 127.13 2wqn s TYR 49 Ca -0.10 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.06 2wqn s TYR 49 Cb -0.16 -1.21 -0.05 0.00 -0.40 0.00 0.00 41.96 40.14 2wqn s TYR 49 CO 0.05 0.42 0.52 0.50 -1.57 0.00 0.00 175.55 175.47 2wqn s ARG 50 N -2.35 4.25 0.24 -0.62 3.52 0.14 -0.53 118.95 123.60 2wqn s ARG 50 Ca 0.17 0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 56.27 2wqn s ARG 50 Cb -0.09 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 2wqn s ARG 50 CO 0.08 0.37 0.38 0.00 -0.81 0.00 0.00 175.30 175.32 2wqn s ALA 51 N -0.13 0.25 -0.04 6.12 0.00 0.03 -0.30 121.76 127.69 2wqn s ALA 51 Ca 0.28 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 51.12 2wqn s ALA 51 Cb -0.17 1.17 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 2wqn s ALA 51 CO 0.14 -0.78 -0.19 0.00 0.00 0.00 0.00 175.76 174.94 2wqn s ALA 52 N -3.96 1.68 -0.20 0.00 0.00 -0.80 0.03 121.76 118.52 2wqn s ALA 52 Ca 0.28 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 2wqn s ALA 52 Cb 0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2wqn s ALA 52 CO 0.11 0.32 1.52 0.00 0.00 0.00 0.00 175.76 177.71 2wqn h LEU 54 N 11.01 0.00 -0.13 0.00 3.38 -0.89 0.38 115.31 129.06 2wqn h LEU 54 Ca -0.32 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.42 2wqn h LEU 54 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2wqn h LEU 54 CO 0.99 0.00 -1.00 -0.07 0.09 0.00 0.00 178.44 178.46 2wqn h LEU 55 N 0.00 0.42 -0.24 1.67 3.38 -1.90 -3.40 115.31 115.23 2wqn h LEU 55 Ca 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2wqn h LEU 55 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2wqn h LEU 55 CO 0.00 1.19 0.00 -0.90 0.09 0.00 0.00 178.44 178.82 2wqn n ASP 56 N -3.66 0.14 0.00 -0.43 5.68 -1.13 -5.03 116.55 112.12 2wqn n ASP 56 Ca -0.06 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 2wqn n ASP 56 Cb 0.87 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 2wqn n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wqn n GLY 57 N -0.01 0.66 3.72 6.12 0.00 0.13 -4.99 105.19 110.83 2wqn n GLY 57 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wqn n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wqn s VAL 58 N -2.85 3.08 0.31 1.61 1.01 -1.24 -4.71 120.40 117.61 2wqn s VAL 58 Ca 0.00 0.78 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 2wqn s VAL 58 Cb 0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2wqn s VAL 58 CO 0.00 0.06 0.84 -2.16 0.00 0.00 0.00 175.10 173.84 2wqn s PRO 59 N 1.07 4.29 0.10 2.72 0.05 -1.26 -0.63 135.00 141.34 2wqn s PRO 59 Ca 0.66 1.01 -0.09 0.00 0.05 0.00 0.00 61.00 62.63 2wqn s PRO 59 Cb -0.39 -2.62 0.00 0.00 0.05 0.00 0.00 34.50 31.54 2wqn s PRO 59 CO 0.31 0.22 0.22 0.14 0.05 0.00 0.00 177.00 177.94 2wqn s VAL 60 N -1.78 0.13 -0.09 -0.36 -7.23 0.11 -4.20 120.40 106.97 2wqn s VAL 60 Ca 0.51 -1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 59.40 2wqn s VAL 60 Cb -0.14 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 2wqn s VAL 60 CO 0.19 -0.59 0.37 0.00 -0.31 0.00 0.00 175.10 174.77 2wqn s ALA 61 N -3.86 3.62 -0.22 1.32 0.00 0.01 -0.79 121.76 121.83 2wqn s ALA 61 Ca 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2wqn s ALA 61 Cb 0.04 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.76 2wqn s ALA 61 CO -0.10 0.24 -0.14 -1.17 0.00 0.00 0.00 175.76 174.58 2wqn s LEU 62 N -0.13 2.73 -0.07 0.00 2.96 0.31 -0.38 118.68 124.10 2wqn s LEU 62 Ca 0.21 -0.90 -0.13 0.00 -0.22 0.00 0.00 54.13 53.10 2wqn s LEU 62 Cb -0.15 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 2wqn s LEU 62 CO 0.09 -0.08 0.31 -0.54 -1.32 0.00 0.00 176.35 174.82 2wqn s LYS 63 N 1.25 3.86 -0.14 1.98 1.02 -0.19 -0.48 119.74 127.04 2wqn s LYS 63 Ca 0.00 0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.21 2wqn s LYS 63 Cb -0.16 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 2wqn s LYS 63 CO -0.09 0.62 -0.19 0.15 -0.92 0.00 0.00 175.35 174.92 2wqn s LYS 64 N -0.73 2.73 -0.06 1.68 1.02 -0.64 -1.72 119.74 122.01 2wqn s LYS 64 Ca 0.20 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.49 2wqn s LYS 64 Cb -0.15 -2.28 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2wqn s LYS 64 CO 0.09 -0.08 -0.20 0.08 -0.92 0.00 0.00 175.35 174.32 2wqn s VAL 65 N 1.00 1.71 -0.26 3.17 1.01 -0.39 -2.41 120.40 124.23 2wqn s VAL 65 Ca -0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 2wqn s VAL 65 Cb -0.15 -1.47 -0.11 0.00 0.00 0.00 0.00 36.38 34.65 2wqn s VAL 65 CO -0.04 0.48 3.21 0.00 0.00 0.00 0.00 175.10 178.75 2wqn n GLN 66 N 3.28 2.25 0.27 2.72 1.13 -1.26 -1.18 117.38 124.59 2wqn n GLN 66 Ca -0.19 -1.68 0.11 0.00 -1.94 0.00 0.00 57.00 53.30 2wqn n GLN 66 Cb 0.52 -2.09 0.57 0.00 0.11 0.00 0.00 30.24 29.35 2wqn n GLN 66 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 2wqn h ILE 67 N 2.02 0.00 0.00 5.09 -0.00 -1.92 0.81 117.51 123.52 2wqn h ILE 67 Ca 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 65.15 2wqn h ILE 67 Cb 1.11 0.46 -0.00 0.00 -0.00 0.00 0.00 36.82 38.39 2wqn h ILE 67 CO 0.57 0.00 -0.32 -0.26 -0.00 0.00 0.00 178.15 178.14 2wqn h PHE 68 N 0.00 0.00 -0.27 0.16 0.04 -1.84 0.54 116.94 115.57 2wqn h PHE 68 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wqn h PHE 68 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 2wqn h PHE 68 CO 0.00 0.06 0.00 -0.25 -0.60 0.00 0.00 178.31 177.52 2wqn n ASP 69 N -3.00 3.22 0.00 2.17 9.92 0.28 -4.52 116.55 124.62 2wqn n ASP 69 Ca 0.02 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.31 2wqn n ASP 69 Cb 0.56 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 2wqn n ASP 69 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2wqn n LEU 70 N 1.38 0.00 -4.69 0.64 4.32 -1.14 -5.10 117.00 112.41 2wqn n LEU 70 Ca 0.18 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.92 2wqn n LEU 70 Cb 0.59 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.31 2wqn n LEU 70 CO 0.16 0.00 -0.21 -0.04 -1.22 0.00 0.00 177.39 176.07 2wqn s MET 71 N -0.09 2.16 0.30 3.23 -1.94 0.18 -5.06 119.30 118.07 2wqn s MET 71 Ca 0.00 -1.85 0.09 0.00 -1.71 0.00 0.00 55.69 52.22 2wqn s MET 71 Cb 0.00 -1.92 -0.06 0.00 2.01 0.00 0.00 34.83 34.86 2wqn s MET 71 CO 0.00 -0.03 -0.10 0.16 -0.01 0.00 0.00 175.02 175.04 2wqn s ASP 72 N -3.83 3.25 0.13 3.03 -4.77 -1.26 -4.71 116.67 108.52 2wqn s ASP 72 Ca 0.38 -1.16 -0.20 0.00 -3.30 0.00 0.00 52.55 48.27 2wqn s ASP 72 Cb 0.04 -0.26 0.01 0.00 -1.09 0.00 0.00 42.92 41.62 2wqn s ASP 72 CO 0.21 -0.22 1.14 0.00 0.70 0.00 0.00 175.17 176.99 2wqn n ALA 73 N -0.66 -0.37 0.06 2.11 0.00 -1.26 -0.82 120.51 119.58 2wqn n ALA 73 Ca -0.05 0.66 -0.11 0.00 0.00 0.00 0.00 53.44 53.93 2wqn n ALA 73 Cb 0.63 -0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 2wqn n ALA 73 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wqn h LYS 74 N 0.00 -0.27 -0.56 0.00 5.09 -2.00 -1.97 116.57 116.86 2wqn h LYS 74 Ca 0.16 0.02 0.06 0.00 0.09 0.00 0.00 60.65 60.98 2wqn h LYS 74 Cb 0.34 0.06 -0.05 0.00 0.10 0.00 0.00 32.23 32.68 2wqn h LYS 74 CO -0.70 -0.18 0.26 0.00 -2.09 0.00 0.00 179.45 176.74 2wqn h ALA 75 N 0.64 0.72 -0.43 0.07 0.00 -1.37 -1.75 119.26 117.14 2wqn h ALA 75 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wqn h ALA 75 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wqn h ALA 75 CO -0.15 -0.11 0.28 0.00 0.00 0.00 0.00 179.25 179.27 2wqn h ARG 76 N 0.49 0.52 0.22 0.00 3.08 -0.67 0.23 114.38 118.25 2wqn h ARG 76 Ca 0.26 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2wqn h ARG 76 Cb 0.22 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2wqn h ARG 76 CO -0.21 0.35 -0.10 0.00 -1.07 0.00 0.00 179.97 178.93 2wqn h ALA 77 N 1.74 -0.29 -0.06 0.04 0.00 -0.62 -1.23 119.26 118.84 2wqn h ALA 77 Ca 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2wqn h ALA 77 Cb -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wqn h ALA 77 CO -0.04 -0.53 -0.04 -0.44 0.00 0.00 0.00 179.25 178.20 2wqn h ASP 78 N -0.56 -0.13 0.07 0.00 3.32 -0.52 0.17 116.42 118.76 2wqn h ASP 78 Ca -0.03 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wqn h ASP 78 Cb 0.42 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2wqn h ASP 78 CO 0.05 -0.06 -0.03 0.00 -1.72 0.00 0.00 179.24 177.48 2wqn h ILE 80 N -0.10 1.27 -0.70 0.00 2.04 -1.06 0.14 117.51 119.10 2wqn h ILE 80 Ca -0.01 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 2wqn h ILE 80 Cb 0.08 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2wqn h ILE 80 CO 0.02 0.45 0.40 0.11 0.00 0.00 0.00 178.15 179.13 2wqn h LYS 81 N 0.73 0.97 -0.26 2.37 1.57 -0.63 -1.32 116.57 120.00 2wqn h LYS 81 Ca 0.10 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2wqn h LYS 81 Cb 0.74 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2wqn h LYS 81 CO 0.06 0.71 0.05 1.49 -0.57 0.00 0.00 179.45 181.18 2wqn h GLU 82 N 0.96 0.43 -0.96 3.15 4.57 -0.53 -1.85 114.58 120.35 2wqn h GLU 82 Ca 0.25 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 2wqn h GLU 82 Cb 0.01 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 2wqn h GLU 82 CO -0.04 0.54 0.63 0.82 -1.18 0.00 0.00 179.01 179.78 2wqn h ILE 83 N 0.24 1.18 -0.43 2.32 1.08 -0.61 -0.58 117.51 120.71 2wqn h ILE 83 Ca 0.08 -0.42 -0.08 0.00 -0.39 0.00 0.00 64.86 64.05 2wqn h ILE 83 Cb 0.32 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 2wqn h ILE 83 CO 0.00 0.23 -0.06 0.44 -0.69 0.00 0.00 178.15 178.07 2wqn h ASP 84 N 1.23 0.71 -0.56 1.72 3.32 -1.02 -1.01 116.42 120.81 2wqn h ASP 84 Ca 0.38 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2wqn h ASP 84 Cb -0.03 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2wqn h ASP 84 CO -0.11 0.81 0.31 -0.07 -1.72 0.00 0.00 179.24 178.46 2wqn h LEU 85 N 0.68 0.70 -1.53 1.55 3.38 -0.65 -3.13 115.31 116.31 2wqn h LEU 85 Ca 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2wqn h LEU 85 Cb 0.50 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wqn h LEU 85 CO 0.03 0.59 0.01 -0.07 0.09 0.00 0.00 178.44 179.08 2wqn h LEU 86 N 0.75 0.28 -1.44 1.67 3.38 -0.07 -2.65 115.31 117.23 2wqn h LEU 86 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wqn h LEU 86 Cb 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2wqn h LEU 86 CO -0.03 0.33 0.00 0.11 0.09 0.00 0.00 178.44 178.94 2wqn h LYS 87 N 0.30 0.00 0.00 1.13 1.57 -1.16 -2.26 116.57 116.15 2wqn h LYS 87 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2wqn h LYS 87 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2wqn h LYS 87 CO 0.00 0.00 -0.16 1.96 -0.57 0.00 0.00 179.45 180.69 2wqn h GLN 88 N 0.00 0.00 -7.05 3.15 4.20 -1.55 -3.46 115.11 110.40 2wqn h GLN 88 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2wqn h GLN 88 Cb 0.47 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.38 2wqn h GLN 88 CO 0.00 0.16 0.59 -0.51 -0.67 0.00 0.00 178.83 178.40 2wqn s LEU 89 N -6.41 3.84 -0.30 1.46 1.43 -0.85 -5.01 118.68 112.84 2wqn s LEU 89 Ca 0.03 2.71 0.06 0.00 -1.03 0.00 0.00 54.13 55.90 2wqn s LEU 89 Cb 0.08 -4.30 0.19 0.00 0.03 0.00 0.00 46.19 42.19 2wqn s LEU 89 CO 0.65 -1.55 0.58 0.21 0.23 0.00 0.00 176.35 176.46 2wqn s ASN 90 N -1.03 -1.44 -0.23 2.29 3.84 -1.26 -4.79 114.94 112.32 2wqn s ASN 90 Ca 0.72 0.05 -0.26 0.00 0.21 0.00 0.00 52.86 53.57 2wqn s ASN 90 Cb -0.39 1.94 0.09 0.00 -0.55 0.00 0.00 41.25 42.34 2wqn s ASN 90 CO 0.46 -0.29 0.81 -2.28 -2.79 0.00 0.00 177.10 173.01 2wqn s HIS 91 N 2.71 -0.66 0.52 0.43 2.46 -1.26 -5.05 115.29 114.44 2wqn s HIS 91 Ca 0.11 1.52 0.42 0.00 0.47 0.00 0.00 55.06 57.57 2wqn s HIS 91 Cb -0.10 0.33 2.20 0.00 -0.13 0.00 0.00 32.58 34.88 2wqn s HIS 91 CO -0.25 -0.38 2.27 -1.35 -2.47 0.00 0.00 174.74 172.57 2wqn h PRO 92 N 4.30 0.00 -0.36 2.88 0.11 -2.00 -2.75 132.00 134.19 2wqn h PRO 92 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2wqn h PRO 92 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wqn h PRO 92 CO 0.14 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.02 2wqn n ASN 93 N -3.03 3.44 -4.13 -2.05 4.13 -1.26 -4.80 115.26 107.56 2wqn n ASN 93 Ca -0.02 -2.36 -0.28 0.00 1.68 0.00 0.00 54.58 53.59 2wqn n ASN 93 Cb 0.11 -0.37 -0.17 0.00 -1.54 0.00 0.00 39.78 37.81 2wqn n ASN 93 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wqn s VAL 94 N -1.66 1.62 0.09 2.41 1.01 -1.04 0.49 120.40 123.32 2wqn s VAL 94 Ca 0.33 -0.77 -0.33 0.00 0.00 0.00 0.00 61.98 61.21 2wqn s VAL 94 Cb 0.21 -1.42 -0.12 0.00 0.00 0.00 0.00 36.38 35.05 2wqn s VAL 94 CO 0.15 0.46 1.75 -0.38 0.00 0.00 0.00 175.10 177.08 2wqn n ILE 95 N 3.58 0.26 -2.57 2.22 2.08 -0.65 -4.65 119.36 119.63 2wqn n ILE 95 Ca -0.20 -0.05 -0.41 0.00 0.56 0.00 0.00 62.75 62.65 2wqn n ILE 95 Cb 0.52 -1.83 -0.04 0.00 -0.75 0.00 0.00 39.64 37.54 2wqn n ILE 95 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2wqn s LYS 96 N 2.31 4.61 -0.61 0.38 2.47 -1.26 -4.88 119.74 122.75 2wqn s LYS 96 Ca 0.83 1.64 -0.15 0.00 -1.56 0.00 0.00 55.97 56.73 2wqn s LYS 96 Cb -0.61 -3.32 0.15 0.00 -1.46 0.00 0.00 37.83 32.59 2wqn s LYS 96 CO 0.41 0.08 0.55 0.71 0.16 0.00 0.00 175.35 177.25 2wqn s TYR 97 N 0.00 3.40 0.19 4.03 2.02 -1.26 -0.84 117.35 124.89 2wqn s TYR 97 Ca 0.50 -1.56 -0.06 0.00 -0.37 0.00 0.00 57.07 55.59 2wqn s TYR 97 Cb -0.27 -3.76 0.11 0.00 -0.40 0.00 0.00 41.96 37.63 2wqn s TYR 97 CO 0.33 -1.01 1.55 1.88 -1.57 0.00 0.00 175.55 176.73 2wqn h TYR 98 N 8.53 0.88 -2.11 2.71 0.05 -1.53 -3.42 116.97 122.09 2wqn h TYR 98 Ca -0.18 -0.25 0.13 0.00 0.05 0.00 0.00 58.73 58.48 2wqn h TYR 98 Cb 1.08 -0.19 -0.16 0.00 1.01 0.00 0.00 36.73 38.47 2wqn h TYR 98 CO 0.80 1.00 0.55 0.00 -1.05 0.00 0.00 178.16 179.46 2wqn s ALA 99 N -4.34 -1.87 -0.06 3.88 0.00 -1.16 -4.93 121.76 113.27 2wqn s ALA 99 Ca -0.09 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.84 2wqn s ALA 99 Cb 0.12 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.54 2wqn s ALA 99 CO 0.85 -0.65 0.40 -1.54 0.00 0.00 0.00 175.76 174.82 2wqn s SER 100 N -2.36 -0.34 -0.17 0.00 1.04 -1.26 -0.90 113.70 109.71 2wqn s SER 100 Ca 0.05 0.42 -0.30 0.00 0.48 0.00 0.00 55.95 56.60 2wqn s SER 100 Cb -0.01 0.52 0.14 0.00 0.10 0.00 0.00 66.02 66.77 2wqn s SER 100 CO -0.08 -0.38 1.06 0.72 0.98 0.00 0.00 173.24 175.55 2wqn s PHE 101 N -0.83 -0.29 -0.15 5.02 -0.12 -0.57 -4.98 117.98 116.06 2wqn s PHE 101 Ca -0.09 0.45 -0.20 0.00 -0.05 0.00 0.00 56.93 57.03 2wqn s PHE 101 Cb -0.04 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 2wqn s PHE 101 CO 0.04 -0.30 0.59 0.96 -0.05 0.00 0.00 175.22 176.46 2wqn s ILE 102 N -1.41 5.08 -0.26 -4.49 -5.25 -1.26 -0.51 121.20 113.09 2wqn s ILE 102 Ca 0.02 1.15 -0.19 0.00 -0.99 0.00 0.00 60.65 60.64 2wqn s ILE 102 Cb -0.01 -3.92 0.07 0.00 2.95 0.00 0.00 42.46 41.56 2wqn s ILE 102 CO -0.02 0.20 0.67 -0.70 -1.79 0.00 0.00 174.94 173.31 2wqn s GLU 103 N 1.33 0.73 -1.25 0.37 2.12 0.20 -4.91 118.70 117.30 2wqn s GLU 103 Ca 0.29 1.09 -0.02 0.00 0.36 0.00 0.00 54.97 56.69 2wqn s GLU 103 Cb -0.16 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.47 2wqn s GLU 103 CO 0.12 -0.13 0.33 -0.25 -0.54 0.00 0.00 175.26 174.79 2wqn n ASP 104 N 3.66 -4.98 -1.82 -1.70 9.92 -1.26 -2.21 116.55 118.16 2wqn n ASP 104 Ca -0.18 -0.16 -0.17 0.00 -0.53 0.00 0.00 54.79 53.75 2wqn n ASP 104 Cb 0.57 -3.91 -0.02 0.00 -0.64 0.00 0.00 41.12 37.12 2wqn n ASP 104 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2wqn n ASN 105 N -1.37 -5.10 -4.18 -2.24 5.15 -1.26 -5.00 115.26 101.27 2wqn n ASN 105 Ca -0.12 0.09 -0.16 0.00 -0.60 0.00 0.00 54.58 53.79 2wqn n ASN 105 Cb 0.61 -4.17 -0.11 0.00 -0.53 0.00 0.00 39.78 35.58 2wqn n ASN 105 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wqn s GLU 106 N -4.52 0.84 -0.22 1.20 2.02 -0.94 -4.54 118.70 112.54 2wqn s GLU 106 Ca 0.00 -1.07 -0.24 0.00 0.02 0.00 0.00 54.97 53.68 2wqn s GLU 106 Cb 0.00 -0.69 -0.01 0.00 0.10 0.00 0.00 34.13 33.53 2wqn s GLU 106 CO 0.00 0.13 0.79 -1.17 0.02 0.00 0.00 175.26 175.04 2wqn s LEU 107 N -2.12 4.10 -0.24 1.80 0.20 -0.32 -0.62 118.68 121.48 2wqn s LEU 107 Ca 0.02 1.01 -0.07 0.00 0.69 0.00 0.00 54.13 55.79 2wqn s LEU 107 Cb -0.06 -3.14 -0.03 0.00 -0.43 0.00 0.00 46.19 42.53 2wqn s LEU 107 CO 0.01 -0.46 0.05 0.20 -0.29 0.00 0.00 176.35 175.87 2wqn s ASN 108 N 1.30 5.07 -0.19 3.68 0.01 0.33 -1.26 114.94 123.88 2wqn s ASN 108 Ca 0.34 -0.20 -0.03 0.00 -0.71 0.00 0.00 52.86 52.26 2wqn s ASN 108 Cb -0.16 -1.90 -0.01 0.00 0.41 0.00 0.00 41.25 39.59 2wqn s ASN 108 CO 0.09 -0.01 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.98 2wqn s ILE 109 N 1.46 3.47 -0.24 0.60 1.01 -0.70 -1.51 121.20 125.30 2wqn s ILE 109 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 2wqn s ILE 109 Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2wqn s ILE 109 CO 0.03 0.45 0.09 -0.69 0.00 0.00 0.00 174.94 174.82 2wqn s VAL 110 N 1.03 4.65 0.17 2.92 1.01 -0.08 -1.02 120.40 129.07 2wqn s VAL 110 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.00 2wqn s VAL 110 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2wqn s VAL 110 CO 0.00 0.35 -0.16 -0.76 0.00 0.00 0.00 175.10 174.53 2wqn s LEU 111 N 1.30 2.46 0.15 3.92 1.43 0.49 -1.26 118.68 127.18 2wqn s LEU 111 Ca 0.05 -0.89 -0.34 0.00 -1.03 0.00 0.00 54.13 51.92 2wqn s LEU 111 Cb -0.15 -0.72 -0.14 0.00 0.03 0.00 0.00 46.19 45.22 2wqn s LEU 111 CO 0.04 -0.10 1.58 1.21 0.23 0.00 0.00 176.35 179.32 2wqn n GLU 112 N 0.16 2.12 -2.35 1.70 2.13 -0.02 -0.81 120.64 123.56 2wqn n GLU 112 Ca -0.12 0.77 -0.42 0.00 0.66 0.00 0.00 57.16 58.04 2wqn n GLU 112 Cb 0.58 -2.53 -0.03 0.00 0.27 0.00 0.00 31.44 29.73 2wqn n GLU 112 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2wqn s LEU 113 N 1.02 4.30 -0.30 4.31 2.96 -1.26 -4.44 118.68 125.28 2wqn s LEU 113 Ca 0.79 1.96 0.02 0.00 -0.22 0.00 0.00 54.13 56.68 2wqn s LEU 113 Cb -0.69 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 42.53 2wqn s LEU 113 CO 0.39 -0.63 0.02 0.00 -1.32 0.00 0.00 176.35 174.80 2wqn s ALA 114 N 2.19 2.29 -0.09 5.97 0.00 -1.26 -4.96 121.76 125.91 2wqn s ALA 114 Ca 0.59 -1.95 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2wqn s ALA 114 Cb -0.28 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 2wqn s ALA 114 CO 0.24 -1.51 0.08 -3.47 0.00 0.00 0.00 175.76 171.10 2wqn n ASP 115 N 4.52 0.09 -0.19 0.00 2.03 -1.26 -4.75 116.55 117.00 2wqn n ASP 115 Ca -0.03 -0.54 0.11 0.00 0.52 0.00 0.00 54.79 54.85 2wqn n ASP 115 Cb 0.43 1.00 0.06 0.00 -0.72 0.00 0.00 41.12 41.89 2wqn n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wqn n ALA 116 N -1.04 3.93 0.00 -1.67 0.00 -1.26 -5.07 120.51 115.39 2wqn n ALA 116 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2wqn n ALA 116 Cb 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2wqn n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wqn n GLY 117 N 1.45 0.66 2.83 0.00 0.00 -1.25 -4.87 105.19 104.01 2wqn n GLY 117 Ca 0.07 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 2wqn n GLY 117 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wqn n ASP 118 N 1.65 -1.52 0.00 1.61 5.75 -1.26 -1.80 116.55 120.97 2wqn n ASP 118 Ca 0.00 -2.34 -0.04 0.00 -0.01 0.00 0.00 54.79 52.40 2wqn n ASP 118 Cb 0.00 2.62 0.18 0.00 -1.03 0.00 0.00 41.12 42.89 2wqn n ASP 118 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2wqn h LEU 119 N 0.00 0.53 -0.75 -2.12 5.85 -0.98 -1.86 115.31 115.98 2wqn h LEU 119 Ca -0.24 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.33 2wqn h LEU 119 Cb 0.95 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2wqn h LEU 119 CO 0.32 0.77 0.47 -1.28 -0.34 0.00 0.00 178.44 178.38 2wqn h SER 120 N 0.46 0.78 0.10 1.25 0.87 -1.82 -0.85 113.55 114.34 2wqn h SER 120 Ca 0.07 -0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.42 2wqn h SER 120 Cb 0.68 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2wqn h SER 120 CO 0.05 0.54 -0.79 0.03 -0.53 0.00 0.00 176.83 176.13 2wqn h ARG 121 N 0.92 0.57 -0.86 2.24 3.08 -1.83 -2.46 114.38 116.04 2wqn h ARG 121 Ca 0.30 -0.49 0.06 0.00 0.07 0.00 0.00 59.98 59.92 2wqn h ARG 121 Cb 0.01 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 2wqn h ARG 121 CO -0.11 1.11 0.53 1.98 -1.07 0.00 0.00 179.97 182.42 2wqn h MET 122 N 0.37 0.94 -0.14 0.04 4.05 -0.95 -0.56 114.93 118.69 2wqn h MET 122 Ca -0.05 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.22 2wqn h MET 122 Cb 1.40 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 2wqn h MET 122 CO 0.15 0.62 -0.34 0.82 0.23 0.00 0.00 176.91 178.39 2wqn h ILE 123 N 0.97 1.28 -0.46 1.77 2.04 -1.09 -2.46 117.51 119.55 2wqn h ILE 123 Ca 0.38 -1.36 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 2wqn h ILE 123 Cb 0.17 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2wqn h ILE 123 CO -0.17 0.41 0.03 0.11 0.00 0.00 0.00 178.15 178.53 2wqn h LYS 124 N 0.24 0.79 -0.17 2.37 1.57 -0.83 -2.06 116.57 118.49 2wqn h LYS 124 Ca 0.03 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2wqn h LYS 124 Cb 0.72 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 2wqn h LYS 124 CO 0.05 0.83 -0.21 0.45 -0.57 0.00 0.00 179.45 180.01 2wqn h HIS 125 N 0.65 -0.54 -0.71 -1.35 3.86 -0.69 0.10 115.15 116.47 2wqn h HIS 125 Ca 0.14 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 2wqn h HIS 125 Cb 0.45 0.27 -0.03 0.00 1.06 0.00 0.00 27.41 29.16 2wqn h HIS 125 CO 0.03 -0.29 0.26 0.74 0.86 0.00 0.00 177.93 179.54 2wqn h PHE 126 N -0.25 1.11 -0.48 2.45 0.04 -1.40 -0.09 116.94 118.32 2wqn h PHE 126 Ca 0.11 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.81 2wqn h PHE 126 Cb 0.41 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 2wqn h PHE 126 CO -0.33 0.87 0.27 -0.22 -0.60 0.00 0.00 178.31 178.30 2wqn h LYS 127 N 1.03 0.53 -0.45 1.51 3.64 -1.09 0.86 116.57 122.61 2wqn h LYS 127 Ca 0.23 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2wqn h LYS 127 Cb 0.25 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2wqn h LYS 127 CO -0.01 0.35 0.06 0.87 -2.27 0.00 0.00 179.45 178.44 2wqn h LYS 128 N 0.55 0.70 -0.01 1.90 1.79 0.12 -0.58 116.57 121.04 2wqn h LYS 128 Ca 0.20 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2wqn h LYS 128 Cb 0.04 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2wqn h LYS 128 CO -0.10 0.67 -0.02 1.04 -1.08 0.00 0.00 179.45 179.96 2wqn n GLN 129 N -4.27 1.16 -3.76 3.15 1.13 -0.14 -4.91 117.38 109.75 2wqn n GLN 129 Ca 0.03 -0.39 -0.24 0.00 -1.94 0.00 0.00 57.00 54.46 2wqn n GLN 129 Cb 0.24 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.13 2wqn n GLN 129 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wqn n LYS 130 N -0.57 -5.05 -4.13 -1.09 5.02 -0.23 -5.00 118.16 107.10 2wqn n LYS 130 Ca 0.20 0.61 -0.16 0.00 -2.02 0.00 0.00 58.31 56.94 2wqn n LYS 130 Cb 0.23 -5.24 -0.12 0.00 -0.02 0.00 0.00 35.03 29.89 2wqn n LYS 130 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wqn s ARG 131 N -6.16 0.70 0.35 1.97 0.52 0.14 -5.02 118.95 111.45 2wqn s ARG 131 Ca 0.17 -0.86 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 2wqn s ARG 131 Cb -0.08 -0.61 -0.05 0.00 0.52 0.00 0.00 34.95 34.73 2wqn s ARG 131 CO 0.82 0.13 0.64 -0.51 0.02 0.00 0.00 175.30 176.40 2wqn s LEU 132 N -1.63 3.93 -0.12 2.53 1.43 -1.26 -4.18 118.68 119.38 2wqn s LEU 132 Ca -0.05 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 2wqn s LEU 132 Cb -0.10 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 2wqn s LEU 132 CO 0.01 -0.32 1.16 -0.63 0.23 0.00 0.00 176.35 176.80 2wqn s ILE 133 N -2.29 4.43 0.62 -0.59 1.01 -1.26 -4.99 121.20 118.12 2wqn s ILE 133 Ca 0.45 1.73 -0.19 0.00 0.00 0.00 0.00 60.65 62.65 2wqn s ILE 133 Cb -0.10 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2wqn s ILE 133 CO 0.34 -0.06 1.27 -2.65 0.00 0.00 0.00 174.94 173.84 2wqn n PRO 134 N 5.71 1.23 -0.28 2.79 -0.02 -1.26 -4.73 135.00 138.44 2wqn n PRO 134 Ca 0.11 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2wqn n PRO 134 Cb 0.46 -2.50 0.13 0.00 -0.02 0.00 0.00 33.50 31.57 2wqn n PRO 134 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wqn h GLU 135 N 0.75 0.82 -0.97 -0.52 4.81 -1.95 -0.53 114.58 116.99 2wqn h GLU 135 Ca -0.51 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 58.80 2wqn h GLU 135 Cb 1.33 -0.18 -0.08 0.00 0.63 0.00 0.00 28.75 30.45 2wqn h GLU 135 CO 0.54 0.54 0.61 -0.09 -0.73 0.00 0.00 179.01 179.88 2wqn h ARG 136 N 0.84 0.90 -0.01 1.92 2.43 -1.89 -1.29 114.38 117.29 2wqn h ARG 136 Ca 0.35 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 59.23 2wqn h ARG 136 Cb 0.20 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2wqn h ARG 136 CO -0.18 0.59 -0.96 1.15 -1.51 0.00 0.00 179.97 179.06 2wqn h THR 137 N 0.93 1.36 -0.27 0.20 2.02 -1.49 -2.28 112.91 113.37 2wqn h THR 137 Ca 0.48 -2.35 0.05 0.00 0.77 0.00 0.00 66.41 65.35 2wqn h THR 137 Cb 0.52 2.38 -0.04 0.00 -1.74 0.00 0.00 68.15 69.26 2wqn h THR 137 CO -0.24 0.71 -0.01 0.58 0.37 0.00 0.00 175.52 176.94 2wqn h VAL 138 N 0.30 0.80 -0.50 3.16 2.07 -0.43 -2.66 116.25 118.99 2wqn h VAL 138 Ca -0.09 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 2wqn h VAL 138 Cb 1.60 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2wqn h VAL 138 CO 0.18 0.01 -0.00 -0.50 0.02 0.00 0.00 177.57 177.27 2wqn h TRP 139 N 0.07 0.90 -0.95 1.57 4.06 -1.26 0.31 115.95 120.66 2wqn h TRP 139 Ca 0.13 -0.13 0.13 0.00 2.06 0.00 0.00 58.89 61.07 2wqn h TRP 139 Cb 0.17 -0.24 -0.08 0.00 -1.00 0.00 0.00 29.16 28.01 2wqn h TRP 139 CO -0.21 0.83 0.60 -0.22 -3.56 0.00 0.00 178.44 175.88 2wqn h LYS 140 N 0.78 0.85 0.09 0.49 3.64 -1.07 -0.53 116.57 120.83 2wqn h LYS 140 Ca 0.15 -0.05 -0.36 0.00 -1.27 0.00 0.00 60.65 59.12 2wqn h LYS 140 Cb 0.48 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2wqn h LYS 140 CO 0.02 0.56 -1.99 0.66 -2.27 0.00 0.00 179.45 176.43 2wqn n TYR 141 N -4.59 1.11 -0.25 1.91 4.01 -1.09 -4.20 117.16 114.06 2wqn n TYR 141 Ca 0.18 0.26 -0.04 0.00 -0.16 0.00 0.00 57.90 58.14 2wqn n TYR 141 Cb 0.39 -1.15 0.13 0.00 -0.31 0.00 0.00 39.34 38.39 2wqn n TYR 141 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2wqn h PHE 142 N 0.05 1.09 -0.36 -0.72 3.57 -0.62 -2.24 116.94 117.72 2wqn h PHE 142 Ca -0.42 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 60.97 2wqn h PHE 142 Cb 2.03 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.41 2wqn h PHE 142 CO 0.06 0.82 0.03 -0.24 -2.23 0.00 0.00 178.31 176.75 2wqn h VAL 143 N 1.07 1.19 -0.50 1.41 3.04 -1.30 0.25 116.25 121.41 2wqn h VAL 143 Ca 0.25 -0.74 -0.12 0.00 -1.01 0.00 0.00 66.70 65.09 2wqn h VAL 143 Cb 0.17 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 30.32 2wqn h VAL 143 CO -0.03 0.26 -0.16 1.56 -1.01 0.00 0.00 177.57 178.20 2wqn h GLN 144 N 0.53 0.97 -0.44 4.17 4.20 -1.63 -1.63 115.11 121.28 2wqn h GLN 144 Ca 0.12 -0.38 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 2wqn h GLN 144 Cb 0.29 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2wqn h GLN 144 CO 0.01 1.05 -0.09 1.25 -0.67 0.00 0.00 178.83 180.37 2wqn h LEU 145 N 0.85 0.77 -0.65 1.46 5.85 -0.70 -1.31 115.31 121.59 2wqn h LEU 145 Ca 0.12 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 2wqn h LEU 145 Cb 0.71 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2wqn h LEU 145 CO 0.05 0.89 -0.19 0.00 -0.34 0.00 0.00 178.44 178.86 2wqn h SER 147 N 0.75 -0.41 -0.56 0.00 0.87 -0.84 0.97 113.55 114.33 2wqn h SER 147 Ca 0.11 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.82 2wqn h SER 147 Cb 0.72 0.14 -0.11 0.00 -0.44 0.00 0.00 62.40 62.71 2wqn h SER 147 CO 0.06 -0.24 -0.12 0.00 -0.53 0.00 0.00 176.83 176.00 2wqn h ALA 148 N 0.46 0.39 0.00 6.23 0.00 -1.09 -1.84 119.26 123.42 2wqn h ALA 148 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 2wqn h ALA 148 Cb 0.32 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2wqn h ALA 148 CO -0.03 -0.43 -0.84 1.25 0.00 0.00 0.00 179.25 179.20 2wqn h LEU 149 N 0.01 0.10 -0.84 0.00 5.85 -0.83 -2.36 115.31 117.24 2wqn h LEU 149 Ca 0.27 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 2wqn h LEU 149 Cb 0.42 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2wqn h LEU 149 CO -0.57 0.89 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.03 2wqn h GLU 150 N 0.04 0.50 0.02 1.25 4.81 -0.55 -0.16 114.58 120.49 2wqn h GLU 150 Ca -0.02 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2wqn h GLU 150 Cb 1.46 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 2wqn h GLU 150 CO 0.12 0.76 -0.01 1.25 -0.73 0.00 0.00 179.01 180.39 2wqn h HIS 151 N 0.43 -0.03 -0.07 0.92 2.76 -1.12 0.19 115.15 118.24 2wqn h HIS 151 Ca 0.05 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2wqn h HIS 151 Cb 0.75 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2wqn h HIS 151 CO 0.03 -0.02 -0.01 0.52 -1.30 0.00 0.00 177.93 177.15 2wqn h MET 152 N -0.03 0.01 -0.66 5.26 2.86 -1.11 -2.03 114.93 119.24 2wqn h MET 152 Ca -0.00 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2wqn h MET 152 Cb 0.02 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2wqn h MET 152 CO 0.00 0.01 0.19 0.45 1.06 0.00 0.00 176.91 178.62 2wqn h HIS 153 N 0.01 1.04 -0.11 -0.22 -0.00 -0.94 -0.21 115.15 114.73 2wqn h HIS 153 Ca 0.03 -0.10 0.02 0.00 -0.00 0.00 0.00 60.37 60.32 2wqn h HIS 153 Cb 0.04 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.14 2wqn h HIS 153 CO -0.12 0.84 0.08 0.66 -0.00 0.00 0.00 177.93 179.39 2wqn h SER 154 N 0.98 0.05 -0.44 2.45 4.64 -0.31 0.10 113.55 121.02 2wqn h SER 154 Ca 0.21 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2wqn h SER 154 Cb 0.29 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2wqn h SER 154 CO -0.01 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 2wqn n ARG 155 N -4.51 2.03 -3.05 4.77 5.12 -0.64 -4.93 116.66 115.44 2wqn n ARG 155 Ca -0.01 -1.60 -0.23 0.00 -1.93 0.00 0.00 57.85 54.08 2wqn n ARG 155 Cb 0.15 -1.35 0.03 0.00 -1.16 0.00 0.00 32.46 30.13 2wqn n ARG 155 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wqn n ARG 156 N 0.80 -4.86 -4.46 5.56 5.12 0.35 -5.00 116.66 114.17 2wqn n ARG 156 Ca 0.15 0.88 -0.33 0.00 -1.93 0.00 0.00 57.85 56.62 2wqn n ARG 156 Cb 0.38 -5.74 -0.15 0.00 -1.16 0.00 0.00 32.46 25.79 2wqn n ARG 156 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wqn s VAL 157 N -3.17 2.80 0.12 1.55 1.01 -0.18 -5.00 120.40 117.53 2wqn s VAL 157 Ca 0.32 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 2wqn s VAL 157 Cb -0.14 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.97 2wqn s VAL 157 CO 0.39 0.50 0.64 -0.04 0.00 0.00 0.00 175.10 176.60 2wqn s MET 158 N 0.85 4.29 -0.08 2.72 -1.94 -1.26 -3.72 119.30 120.16 2wqn s MET 158 Ca -0.04 0.85 -0.27 0.00 -1.71 0.00 0.00 55.69 54.52 2wqn s MET 158 Cb -0.15 -3.18 -0.23 0.00 2.01 0.00 0.00 34.83 33.28 2wqn s MET 158 CO -0.00 0.58 1.02 1.25 -0.01 0.00 0.00 175.02 177.85 2wqn h HIS 159 N 4.27 -0.00 0.00 -0.03 2.76 -1.96 -3.48 115.15 116.71 2wqn h HIS 159 Ca -0.49 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2wqn h HIS 159 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.17 2wqn h HIS 159 CO 0.66 0.72 0.00 0.54 -1.30 0.00 0.00 177.93 178.56 2wqn n ARG 160 N -4.74 0.00 -2.88 5.26 1.74 -1.26 -4.71 116.66 110.07 2wqn n ARG 160 Ca -0.09 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.87 2wqn n ARG 160 Cb 0.36 -0.71 0.03 0.00 -1.02 0.00 0.00 32.46 31.12 2wqn n ARG 160 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wqn n ASP 161 N 0.00 0.19 -4.68 0.55 2.03 -1.26 -5.07 116.55 108.31 2wqn n ASP 161 Ca 0.00 -2.94 -0.43 0.00 0.52 0.00 0.00 54.79 51.94 2wqn n ASP 161 Cb 0.00 0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.39 2wqn n ASP 161 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wqn s ILE 162 N -1.90 4.55 0.02 5.18 1.01 -1.26 -4.84 121.20 123.95 2wqn s ILE 162 Ca 0.30 1.85 -0.28 0.00 0.00 0.00 0.00 60.65 62.53 2wqn s ILE 162 Cb 0.38 -4.19 0.09 0.00 0.01 0.00 0.00 42.46 38.75 2wqn s ILE 162 CO -0.04 -0.07 0.78 -1.59 0.00 0.00 0.00 174.94 174.03 2wqn s LYS 163 N 2.64 0.96 0.22 2.79 -2.85 -1.26 -4.61 119.74 117.63 2wqn s LYS 163 Ca 0.50 -0.20 -0.08 0.00 -1.00 0.00 0.00 55.97 55.19 2wqn s LYS 163 Cb -0.19 0.45 0.33 0.00 -2.06 0.00 0.00 37.83 36.36 2wqn s LYS 163 CO 0.15 -0.39 1.72 -1.35 0.10 0.00 0.00 175.35 175.58 2wqn h PRO 164 N 2.24 0.32 0.00 1.78 0.11 -1.94 -0.46 132.00 134.05 2wqn h PRO 164 Ca -0.26 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2wqn h PRO 164 Cb 1.23 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wqn h PRO 164 CO 0.34 0.21 -0.09 0.00 -0.21 0.00 0.00 178.00 178.26 2wqn h ALA 165 N 1.49 1.24 -0.33 -0.75 0.00 -1.95 -0.85 119.26 118.12 2wqn h ALA 165 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wqn h ALA 165 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wqn h ALA 165 CO -0.39 0.11 0.00 -1.71 0.00 0.00 0.00 179.25 177.26 2wqn n ASN 166 N -3.55 2.16 -4.10 0.00 2.85 -0.21 -4.53 115.26 107.89 2wqn n ASN 166 Ca -0.02 -1.89 -0.36 0.00 -0.11 0.00 0.00 54.58 52.20 2wqn n ASN 166 Cb 0.22 -0.21 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 2wqn n ASN 166 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2wqn s VAL 167 N -1.57 4.03 0.70 3.44 1.01 -0.33 -0.05 120.40 127.62 2wqn s VAL 167 Ca 0.31 -3.45 -0.14 0.00 0.00 0.00 0.00 61.98 58.70 2wqn s VAL 167 Cb 0.16 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2wqn s VAL 167 CO 0.23 -0.99 1.11 -0.36 0.00 0.00 0.00 175.10 175.09 2wqn s PHE 168 N -0.74 2.56 -0.04 5.22 0.08 -0.73 -1.05 117.98 123.28 2wqn s PHE 168 Ca 0.22 1.56 0.01 0.00 0.12 0.00 0.00 56.93 58.84 2wqn s PHE 168 Cb -0.13 -3.15 0.02 0.00 -0.57 0.00 0.00 43.02 39.19 2wqn s PHE 168 CO -0.08 -1.78 -0.03 0.42 -0.10 0.00 0.00 175.22 173.65 2wqn s ILE 169 N -2.48 0.39 1.01 0.64 1.01 -0.75 -0.24 121.20 120.77 2wqn s ILE 169 Ca 0.66 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 2wqn s ILE 169 Cb -0.20 -0.45 0.20 0.00 0.01 0.00 0.00 42.46 42.02 2wqn s ILE 169 CO 0.46 0.19 1.20 0.42 0.00 0.00 0.00 174.94 177.21 2wqn s THR 170 N 0.98 1.89 0.57 2.92 -4.23 -0.20 -3.85 115.64 113.72 2wqn s THR 170 Ca -0.10 0.00 0.43 0.00 -1.18 0.00 0.00 61.69 60.83 2wqn s THR 170 Cb -0.14 -2.78 0.43 0.00 1.34 0.00 0.00 72.50 71.35 2wqn s THR 170 CO -0.01 0.00 2.30 0.00 -0.54 0.00 0.00 174.62 176.37 2wqn h ALA 171 N -1.83 1.00 -0.55 3.99 0.00 -1.91 -1.83 119.26 118.14 2wqn h ALA 171 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wqn h ALA 171 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2wqn h ALA 171 CO 0.46 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.96 2wqn n THR 172 N -3.03 0.73 -0.87 0.00 -2.24 -1.26 -4.93 114.28 102.68 2wqn n THR 172 Ca -0.03 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2wqn n THR 172 Cb 0.09 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 2wqn n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wqn n GLY 173 N 1.47 0.62 3.72 3.38 0.00 -0.69 -5.03 105.19 108.66 2wqn n GLY 173 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2wqn n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wqn s VAL 174 N -2.24 4.49 0.14 1.61 1.01 -1.26 -4.78 120.40 119.37 2wqn s VAL 174 Ca 0.00 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 2wqn s VAL 174 Cb 0.00 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2wqn s VAL 174 CO 0.00 0.21 1.05 -0.69 0.00 0.00 0.00 175.10 175.68 2wqn s VAL 175 N 0.56 4.12 -0.31 2.92 1.01 -1.26 -1.04 120.40 126.40 2wqn s VAL 175 Ca 0.51 1.78 0.01 0.00 0.00 0.00 0.00 61.98 64.28 2wqn s VAL 175 Cb -0.24 -4.14 0.10 0.00 0.00 0.00 0.00 36.38 32.10 2wqn s VAL 175 CO 0.30 0.28 0.08 -0.54 0.00 0.00 0.00 175.10 175.21 2wqn s LYS 176 N -0.12 0.96 -0.27 2.72 -0.14 0.66 -4.25 119.74 119.31 2wqn s LYS 176 Ca 0.49 -1.28 -0.28 0.00 -1.36 0.00 0.00 55.97 53.54 2wqn s LYS 176 Cb -0.27 -2.36 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 2wqn s LYS 176 CO 0.33 -0.95 2.02 -1.17 -0.76 0.00 0.00 175.35 174.82 2wqn s LEU 177 N 1.41 3.48 1.06 3.17 2.96 0.18 -1.77 118.68 129.18 2wqn s LEU 177 Ca 0.09 1.63 -0.15 0.00 -0.22 0.00 0.00 54.13 55.48 2wqn s LEU 177 Cb -0.18 -3.52 0.22 0.00 0.50 0.00 0.00 46.19 43.22 2wqn s LEU 177 CO -0.19 -1.83 1.12 -0.83 -1.32 0.00 0.00 176.35 173.29 2wqn s GLY 178 N 7.24 1.58 0.27 7.98 0.00 0.93 -1.64 107.32 123.68 2wqn s GLY 178 Ca 0.91 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 2wqn s GLY 178 CO 0.34 0.07 1.44 0.51 0.00 0.00 0.00 173.10 175.46 2wqn s ASP 179 N -3.76 6.63 0.32 1.64 -4.77 -1.26 -4.82 116.67 110.64 2wqn s ASP 179 Ca 0.68 2.72 -0.29 0.00 -3.30 0.00 0.00 52.55 52.35 2wqn s ASP 179 Cb -0.14 -2.63 -0.11 0.00 -1.09 0.00 0.00 42.92 38.95 2wqn s ASP 179 CO 0.56 -0.71 1.49 -0.76 0.70 0.00 0.00 175.17 176.45 2wqn s LEU 180 N -0.65 4.35 0.00 2.11 1.02 -1.26 -5.03 118.68 119.21 2wqn s LEU 180 Ca 0.58 2.91 0.00 0.00 0.02 0.00 0.00 54.13 57.64 2wqn s LEU 180 Cb -0.42 -3.65 0.00 0.00 0.02 0.00 0.00 46.19 42.14 2wqn s LEU 180 CO 0.46 -0.81 0.00 1.07 0.02 0.00 0.00 176.35 177.09 2wqn n THR 199 N 1.36 0.00 -1.65 5.49 5.66 -1.26 -5.06 114.28 118.82 2wqn n THR 199 Ca 0.04 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.63 2wqn n THR 199 Cb 0.39 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.18 2wqn n THR 199 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2wqn n PRO 200 N 0.00 1.59 -0.03 1.09 -0.02 -1.26 -4.94 135.00 131.44 2wqn n PRO 200 Ca 0.00 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 61.94 2wqn n PRO 200 Cb 0.00 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 2wqn n PRO 200 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2wqn h TYR 201 N 1.78 0.18 -3.71 6.00 3.20 -1.98 -3.38 116.97 119.06 2wqn h TYR 201 Ca -0.46 -0.01 -0.68 0.00 3.14 0.00 0.00 58.73 60.71 2wqn h TYR 201 Cb 1.32 -0.05 -0.33 0.00 1.54 0.00 0.00 36.73 39.20 2wqn h TYR 201 CO 0.46 0.28 -0.67 0.71 -1.64 0.00 0.00 178.16 177.29 2wqn s TYR 202 N -5.54 3.35 -0.40 -3.82 2.02 -1.26 -5.09 117.35 106.61 2wqn s TYR 202 Ca -0.14 -2.03 -0.17 0.00 -0.37 0.00 0.00 57.07 54.36 2wqn s TYR 202 Cb 0.06 -2.36 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 2wqn s TYR 202 CO 0.69 -0.84 0.45 -1.64 -1.57 0.00 0.00 175.55 172.64 2wqn s MET 203 N 1.21 3.29 0.58 -0.62 -1.94 -1.26 -4.91 119.30 115.66 2wqn s MET 203 Ca -0.02 -0.56 -0.15 0.00 -1.71 0.00 0.00 55.69 53.25 2wqn s MET 203 Cb -0.20 -3.91 -0.04 0.00 2.01 0.00 0.00 34.83 32.69 2wqn s MET 203 CO -0.02 -0.77 1.03 -1.54 -0.01 0.00 0.00 175.02 173.72 2wqn s SER 204 N 1.81 6.03 0.23 3.03 1.04 -1.26 -4.82 113.70 119.75 2wqn s SER 204 Ca 0.14 1.68 -0.07 0.00 0.48 0.00 0.00 55.95 58.18 2wqn s SER 204 Cb -0.16 -2.52 0.27 0.00 0.10 0.00 0.00 66.02 63.71 2wqn s SER 204 CO 0.14 -1.00 1.85 -0.65 0.98 0.00 0.00 173.24 174.56 2wqn h PRO 205 N 0.38 0.89 -0.42 4.02 0.11 -1.97 0.19 132.00 135.19 2wqn h PRO 205 Ca -0.46 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2wqn h PRO 205 Cb 1.21 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2wqn h PRO 205 CO 0.59 0.59 0.02 1.05 -0.21 0.00 0.00 178.00 180.04 2wqn h GLU 206 N 0.92 0.67 -0.24 1.05 9.09 -1.93 -2.45 114.58 121.69 2wqn h GLU 206 Ca 0.33 -0.15 -0.18 0.00 0.05 0.00 0.00 59.36 59.41 2wqn h GLU 206 Cb 0.10 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 2wqn h GLU 206 CO -0.15 0.67 -0.53 0.00 0.05 0.00 0.00 179.01 179.05 2wqn h ARG 207 N 0.64 0.79 -0.89 1.06 2.47 -1.51 0.18 114.38 117.11 2wqn h ARG 207 Ca 0.13 -0.53 0.15 0.00 -1.26 0.00 0.00 59.98 58.48 2wqn h ARG 207 Cb 0.37 0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 28.69 2wqn h ARG 207 CO 0.01 1.15 0.57 0.82 0.56 0.00 0.00 179.97 183.08 2wqn h ILE 208 N 0.53 0.81 -0.64 2.04 2.04 -0.41 -1.41 117.51 120.48 2wqn h ILE 208 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2wqn h ILE 208 Cb 1.15 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2wqn h ILE 208 CO 0.12 0.12 0.00 1.41 0.00 0.00 0.00 178.15 179.80 2wqn n HIS 209 N -4.56 1.60 -1.17 1.37 8.25 -0.94 -4.93 115.22 114.83 2wqn n HIS 209 Ca 0.18 -0.63 -0.06 0.00 -0.26 0.00 0.00 57.72 56.94 2wqn n HIS 209 Cb 0.50 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 2wqn n HIS 209 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2wqn n GLU 210 N 1.05 -0.98 -1.05 -0.41 1.02 -0.53 -5.00 120.64 114.74 2wqn n GLU 210 Ca 0.26 0.60 -0.30 0.00 -0.02 0.00 0.00 57.16 57.71 2wqn n GLU 210 Cb 0.95 -4.53 0.16 0.00 -0.02 0.00 0.00 31.44 28.00 2wqn n GLU 210 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2wqn s ASN 211 N -2.44 3.04 0.36 1.62 0.01 0.59 -4.96 114.94 113.16 2wqn s ASN 211 Ca 0.00 1.58 -0.28 0.00 -0.71 0.00 0.00 52.86 53.45 2wqn s ASN 211 Cb 0.00 -2.24 -0.11 0.00 0.41 0.00 0.00 41.25 39.31 2wqn s ASN 211 CO 0.00 -2.92 1.40 -0.83 -1.51 0.00 0.00 177.10 173.23 2wqn s GLY 212 N -3.20 2.97 0.34 0.66 0.00 -1.26 -4.42 107.32 102.41 2wqn s GLY 212 Ca 0.65 1.42 -0.27 0.00 0.00 0.00 0.00 44.72 46.51 2wqn s GLY 212 CO 0.58 2.08 1.12 -0.47 0.00 0.00 0.00 173.10 176.42 2wqn s TYR 213 N -1.14 3.34 0.04 1.90 5.04 -1.26 -4.79 117.35 120.49 2wqn s TYR 213 Ca 0.51 1.63 -0.01 0.00 -2.44 0.00 0.00 57.07 56.77 2wqn s TYR 213 Cb -0.43 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 38.57 2wqn s TYR 213 CO 0.58 -0.86 0.07 0.27 -1.34 0.00 0.00 175.55 174.26 2wqn n ASN 214 N 0.61 -0.19 -0.34 4.32 6.94 -1.26 -5.03 115.26 120.32 2wqn n ASN 214 Ca 0.02 -1.22 -0.04 0.00 -0.02 0.00 0.00 54.58 53.32 2wqn n ASN 214 Cb 0.46 0.34 0.09 0.00 -2.36 0.00 0.00 39.78 38.31 2wqn n ASN 214 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 2wqn h PHE 215 N 1.12 1.25 0.00 -2.53 0.04 -1.99 -1.09 116.94 113.74 2wqn h PHE 215 Ca -0.03 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2wqn h PHE 215 Cb 0.14 -0.40 -0.00 0.00 2.20 0.00 0.00 35.95 37.89 2wqn h PHE 215 CO 0.00 0.86 -0.06 0.87 -0.60 0.00 0.00 178.31 179.38 2wqn h LYS 216 N 1.27 0.00 -0.57 1.51 1.79 -1.93 -1.62 116.57 117.02 2wqn h LYS 216 Ca 0.32 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.68 2wqn h LYS 216 Cb 0.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 2wqn h LYS 216 CO -0.05 0.06 -0.08 0.77 -1.08 0.00 0.00 179.45 179.06 2wqn h SER 217 N 0.00 1.05 -0.99 0.86 0.02 -1.59 -1.65 113.55 111.25 2wqn h SER 217 Ca -0.00 -0.34 0.06 0.00 -0.84 0.00 0.00 61.79 60.68 2wqn h SER 217 Cb 0.16 -0.29 -0.07 0.00 0.14 0.00 0.00 62.40 62.35 2wqn h SER 217 CO 0.01 1.14 0.64 0.44 -1.14 0.00 0.00 176.83 177.92 2wqn h ASP 218 N 0.95 1.02 -0.75 3.07 3.32 -1.26 -2.44 116.42 120.33 2wqn h ASP 218 Ca 0.15 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2wqn h ASP 218 Cb 0.65 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2wqn h ASP 218 CO 0.04 0.65 0.30 0.40 -1.72 0.00 0.00 179.24 178.92 2wqn h ILE 219 N 1.16 1.25 0.04 0.35 1.08 -1.16 -0.32 117.51 119.91 2wqn h ILE 219 Ca 0.43 -0.79 0.02 0.00 -0.39 0.00 0.00 64.86 64.13 2wqn h ILE 219 Cb 0.17 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 2wqn h ILE 219 CO -0.17 0.32 -0.16 -0.25 -0.69 0.00 0.00 178.15 177.19 2wqn h TRP 220 N 1.07 -0.42 -0.60 1.37 2.91 -0.96 -1.39 115.95 117.94 2wqn h TRP 220 Ca 0.25 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.33 2wqn h TRP 220 Cb 0.21 0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 28.99 2wqn h TRP 220 CO 0.02 -0.24 0.33 0.77 -1.03 0.00 0.00 178.44 178.29 2wqn h SER 221 N -0.29 0.49 -0.90 2.65 0.02 -1.16 -1.73 113.55 112.64 2wqn h SER 221 Ca 0.04 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.11 2wqn h SER 221 Cb 0.34 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.72 2wqn h SER 221 CO -0.13 0.33 0.54 0.25 -1.14 0.00 0.00 176.83 176.68 2wqn h LEU 222 N 0.63 0.79 -0.33 5.07 5.85 -0.72 -0.67 115.31 125.93 2wqn h LEU 222 Ca 0.26 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.86 2wqn h LEU 222 Cb 0.13 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2wqn h LEU 222 CO -0.16 0.45 -0.42 1.23 -0.34 0.00 0.00 178.44 179.21 2wqn h GLY 223 N 0.90 0.95 0.98 3.75 0.00 -0.65 -1.92 103.07 107.08 2wqn h GLY 223 Ca 0.43 -1.02 0.03 0.00 0.00 0.00 0.00 47.33 46.77 2wqn h GLY 223 CO -0.24 0.92 0.62 0.00 0.00 0.00 0.00 176.54 177.83 2wqn h LEU 225 N 1.20 0.82 -0.59 0.00 6.46 -0.98 0.17 115.31 122.39 2wqn h LEU 225 Ca 0.37 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2wqn h LEU 225 Cb -0.02 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.66 2wqn h LEU 225 CO -0.11 1.03 0.37 0.25 -0.62 0.00 0.00 178.44 179.36 2wqn h LEU 226 N 0.61 0.69 -0.60 2.25 5.85 -1.14 -0.43 115.31 122.54 2wqn h LEU 226 Ca 0.09 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2wqn h LEU 226 Cb 0.70 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2wqn h LEU 226 CO 0.05 0.53 0.37 0.22 -0.34 0.00 0.00 178.44 179.27 2wqn h TYR 227 N 0.80 0.78 -0.25 1.25 3.20 -1.10 -2.66 116.97 118.99 2wqn h TYR 227 Ca 0.21 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 2wqn h TYR 227 Cb -0.05 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 2wqn h TYR 227 CO -0.03 0.52 -0.20 1.49 -1.64 0.00 0.00 178.16 178.30 2wqn h GLU 228 N 0.81 0.45 -0.55 1.82 4.81 -0.37 0.20 114.58 121.75 2wqn h GLU 228 Ca 0.22 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2wqn h GLU 228 Cb -0.04 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2wqn h GLU 228 CO -0.04 0.64 0.24 0.52 -0.73 0.00 0.00 179.01 179.64 2wqn h MET 229 N 0.41 0.78 0.01 1.92 2.86 -0.78 0.45 114.93 120.58 2wqn h MET 229 Ca 0.07 -0.11 -0.27 0.00 -2.06 0.00 0.00 59.70 57.33 2wqn h MET 229 Cb 0.59 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 2wqn h MET 229 CO 0.04 0.63 -1.52 0.00 1.06 0.00 0.00 176.91 177.12 2wqn h ALA 230 N 1.49 0.64 0.00 6.32 0.00 -0.94 -3.38 119.26 123.39 2wqn h ALA 230 Ca 0.19 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2wqn h ALA 230 Cb 0.12 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wqn h ALA 230 CO -0.02 1.48 -1.18 0.00 0.00 0.00 0.00 179.25 179.53 2wqn n ALA 231 N -2.51 3.37 -1.50 0.00 0.00 0.60 -4.77 120.51 115.70 2wqn n ALA 231 Ca -0.13 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 52.77 2wqn n ALA 231 Cb 1.02 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 2wqn n ALA 231 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wqn n LEU 232 N -1.68 -1.08 -3.59 0.00 4.77 0.16 -4.98 117.00 110.60 2wqn n LEU 232 Ca 0.00 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2wqn n LEU 232 Cb 0.32 -2.07 -0.06 0.00 -2.33 0.00 0.00 43.42 39.28 2wqn n LEU 232 CO 0.32 -0.65 0.28 -1.10 -1.33 0.00 0.00 177.39 174.91 2wqn s GLN 233 N -3.35 0.98 0.59 3.23 -0.21 -1.23 -5.04 119.66 114.62 2wqn s GLN 233 Ca 0.00 -0.10 -0.20 0.00 0.02 0.00 0.00 55.36 55.08 2wqn s GLN 233 Cb 0.00 0.45 -0.04 0.00 1.00 0.00 0.00 33.01 34.42 2wqn s GLN 233 CO 0.00 -0.33 1.32 0.43 -2.12 0.00 0.00 175.29 174.59 2wqn n SER 234 N 0.68 2.40 0.10 5.90 7.64 -1.26 -3.97 113.62 125.11 2wqn n SER 234 Ca -0.19 0.92 0.07 0.00 1.01 0.00 0.00 58.87 60.68 2wqn n SER 234 Cb 0.59 -1.56 0.54 0.00 -1.01 0.00 0.00 64.21 62.76 2wqn n SER 234 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2wqn h PRO 235 N 1.07 0.27 -0.60 1.43 0.11 -1.92 -2.96 132.00 129.40 2wqn h PRO 235 Ca -0.51 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.18 2wqn h PRO 235 Cb 1.32 -0.06 -0.27 0.00 0.11 0.00 0.00 31.00 32.09 2wqn h PRO 235 CO 0.55 0.18 -0.32 1.19 -0.21 0.00 0.00 178.00 179.38 2wqn n PHE 236 N -4.50 2.08 -1.59 0.65 3.72 -1.26 -4.39 117.46 112.16 2wqn n PHE 236 Ca 0.01 -2.11 -0.45 0.00 -0.05 0.00 0.00 57.45 54.86 2wqn n PHE 236 Cb 0.13 -0.55 -0.04 0.00 -0.94 0.00 0.00 39.48 38.08 2wqn n PHE 236 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2wqn n TYR 237 N -0.90 2.03 0.00 1.38 4.19 -1.12 -5.02 117.16 117.71 2wqn n TYR 237 Ca 0.41 -0.09 0.00 0.00 3.31 0.00 0.00 57.90 61.54 2wqn n TYR 237 Cb 0.91 -2.70 0.00 0.00 0.49 0.00 0.00 39.34 38.04 2wqn n TYR 237 CO 0.00 0.00 0.00 -0.12 0.91 0.00 0.00 176.86 177.65 2wqn n MET 241 N 8.26 0.00 -2.21 2.98 0.00 -1.26 -5.07 117.12 119.82 2wqn n MET 241 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.90 2wqn n MET 241 Cb 0.39 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.62 2wqn n MET 241 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2wqn n ASN 242 N 0.00 1.42 0.13 6.12 0.23 -1.26 -4.97 115.26 116.93 2wqn n ASN 242 Ca 0.00 -1.70 -0.00 0.00 -0.53 0.00 0.00 54.58 52.35 2wqn n ASN 242 Cb 0.00 -0.06 0.11 0.00 -2.08 0.00 0.00 39.78 37.75 2wqn n ASN 242 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2wqn h LEU 243 N 0.00 0.00 -0.03 -4.53 3.38 -2.02 -0.43 115.31 111.68 2wqn h LEU 243 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2wqn h LEU 243 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2wqn h LEU 243 CO 0.19 0.64 -0.06 0.22 0.09 0.00 0.00 178.44 179.52 2wqn h TYR 244 N 0.00 0.12 -0.29 1.13 3.20 -1.98 -0.38 116.97 118.77 2wqn h TYR 244 Ca -0.01 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 2wqn h TYR 244 Cb 1.28 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 2wqn h TYR 244 CO 0.00 0.65 -0.13 0.66 -1.64 0.00 0.00 178.16 177.70 2wqn h SER 245 N -0.44 0.47 -0.24 -2.11 4.64 -1.97 -0.33 113.55 113.57 2wqn h SER 245 Ca 0.00 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2wqn h SER 245 Cb 0.64 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2wqn h SER 245 CO 0.01 0.64 0.06 0.25 -0.87 0.00 0.00 176.83 176.92 2wqn h LEU 246 N 0.45 0.37 -0.57 5.97 5.85 -1.07 -0.68 115.31 125.62 2wqn h LEU 246 Ca 0.08 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.64 2wqn h LEU 246 Cb 0.50 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2wqn h LEU 246 CO 0.03 0.50 0.28 0.00 -0.34 0.00 0.00 178.44 178.91 2wqn h LYS 248 N 0.53 -0.85 -0.58 0.00 5.09 -0.85 -1.37 116.57 118.54 2wqn h LYS 248 Ca 0.26 0.06 0.12 0.00 0.09 0.00 0.00 60.65 61.18 2wqn h LYS 248 Cb 0.20 0.19 -0.11 0.00 0.10 0.00 0.00 32.23 32.61 2wqn h LYS 248 CO -0.20 -0.57 -0.18 0.87 -2.09 0.00 0.00 179.45 177.28 2wqn h LYS 249 N -0.88 -0.04 -0.69 0.07 1.57 -0.85 -2.40 116.57 113.35 2wqn h LYS 249 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2wqn h LYS 249 Cb 0.80 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2wqn h LYS 249 CO -0.11 -0.03 0.37 0.82 -0.57 0.00 0.00 179.45 179.94 2wqn h ILE 250 N -0.04 1.21 0.00 1.86 2.04 -0.75 0.61 117.51 122.44 2wqn h ILE 250 Ca 0.27 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2wqn h ILE 250 Cb 0.46 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2wqn h ILE 250 CO -0.62 0.24 0.00 -0.33 0.00 0.00 0.00 178.15 177.43 2wqn h GLU 251 N 0.94 0.00 -0.09 2.37 4.39 -0.80 -2.92 114.58 118.47 2wqn h GLU 251 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2wqn h GLU 251 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2wqn h GLU 251 CO -0.04 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.85 2wqn n GLN 252 N -2.67 2.65 -3.27 2.33 6.02 -0.67 -4.98 117.38 116.79 2wqn n GLN 252 Ca 0.01 -1.91 -0.21 0.00 -0.01 0.00 0.00 57.00 54.88 2wqn n GLN 252 Cb 0.25 -1.21 -0.01 0.00 1.02 0.00 0.00 30.24 30.28 2wqn n GLN 252 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wqn n ASP 254 N -2.12 2.91 -4.10 0.00 2.03 -0.48 -4.83 116.55 109.96 2wqn n ASP 254 Ca -0.01 -2.65 -0.19 0.00 0.52 0.00 0.00 54.79 52.46 2wqn n ASP 254 Cb 0.53 -1.15 -0.14 0.00 -0.72 0.00 0.00 41.12 39.64 2wqn n ASP 254 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2wqn s TYR 255 N 4.67 1.05 0.33 -0.67 -0.85 -1.26 -4.85 117.35 115.77 2wqn s TYR 255 Ca 0.54 -0.30 -0.29 0.00 -0.52 0.00 0.00 57.07 56.51 2wqn s TYR 255 Cb 0.14 -0.64 -0.10 0.00 0.38 0.00 0.00 41.96 41.73 2wqn s TYR 255 CO 0.08 0.00 1.31 -2.14 -1.52 0.00 0.00 175.55 173.29 2wqn s PRO 256 N -0.82 4.35 0.55 -3.49 0.02 -1.26 -4.96 135.00 129.38 2wqn s PRO 256 Ca 0.01 2.22 -0.20 0.00 0.02 0.00 0.00 61.00 63.06 2wqn s PRO 256 Cb -0.06 -3.07 -0.06 0.00 0.02 0.00 0.00 34.50 31.33 2wqn s PRO 256 CO 0.01 -0.20 1.14 -2.14 -0.33 0.00 0.00 177.00 175.48 2wqn s PRO 257 N -1.72 3.31 0.46 5.54 0.02 -1.26 -5.01 135.00 136.34 2wqn s PRO 257 Ca 0.49 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 62.96 2wqn s PRO 257 Cb -0.40 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.02 2wqn s PRO 257 CO 0.52 -0.89 1.04 -0.51 -0.33 0.00 0.00 177.00 176.83 2wqn s LEU 258 N -3.80 3.94 -0.01 -5.54 1.43 -1.26 -4.98 118.68 108.47 2wqn s LEU 258 Ca 0.73 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 55.49 2wqn s LEU 258 Cb -0.25 -4.44 -0.05 0.00 0.03 0.00 0.00 46.19 41.48 2wqn s LEU 258 CO 0.28 -0.68 1.33 -2.84 0.23 0.00 0.00 176.35 174.67 2wqn s PRO 259 N -3.00 4.32 0.26 1.29 0.02 -1.26 -4.88 135.00 131.74 2wqn s PRO 259 Ca 0.64 1.87 0.25 0.00 0.02 0.00 0.00 61.00 63.78 2wqn s PRO 259 Cb -0.18 -3.53 0.92 0.00 0.02 0.00 0.00 34.50 31.73 2wqn s PRO 259 CO 0.22 -0.51 1.75 0.66 -0.33 0.00 0.00 177.00 178.79 2wqn h SER 260 N 7.59 0.00 1.32 2.53 4.64 -1.94 -1.52 113.55 126.17 2wqn h SER 260 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2wqn h SER 260 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2wqn h SER 260 CO 0.89 0.00 -0.12 -0.90 -0.87 0.00 0.00 176.83 175.83 2wqn n ASP 261 N -2.31 0.74 -0.04 4.97 5.75 -1.26 -4.03 116.55 120.37 2wqn n ASP 261 Ca 0.03 0.48 -0.04 0.00 -0.01 0.00 0.00 54.79 55.25 2wqn n ASP 261 Cb 0.32 -0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 39.74 2wqn n ASP 261 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2wqn n HIS 262 N -2.18 0.00 -4.50 2.11 8.25 -0.88 -5.01 115.22 113.02 2wqn n HIS 262 Ca 0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.22 2wqn n HIS 262 Cb 0.42 -0.43 -0.17 0.00 1.12 0.00 0.00 29.99 30.93 2wqn n HIS 262 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2wqn s TYR 263 N -2.26 2.07 0.88 4.41 2.02 -0.63 -4.48 117.35 119.36 2wqn s TYR 263 Ca -0.04 -0.98 -0.11 0.00 -0.37 0.00 0.00 57.07 55.56 2wqn s TYR 263 Cb 0.03 -1.48 0.13 0.00 -0.40 0.00 0.00 41.96 40.24 2wqn s TYR 263 CO 0.38 -0.49 1.16 -1.13 -1.57 0.00 0.00 175.55 173.90 2wqn n SER 264 N 4.17 0.54 -0.15 2.29 3.41 -1.26 -4.42 113.62 118.20 2wqn n SER 264 Ca -0.19 0.47 0.10 0.00 -0.26 0.00 0.00 58.87 58.99 2wqn n SER 264 Cb 0.51 -1.49 0.42 0.00 -0.26 0.00 0.00 64.21 63.40 2wqn n SER 264 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2wqn h GLU 265 N -1.57 0.58 -0.13 4.33 4.57 -1.99 -1.29 114.58 119.07 2wqn h GLU 265 Ca -0.44 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2wqn h GLU 265 Cb 1.28 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2wqn h GLU 265 CO 0.43 0.38 0.09 0.93 -1.18 0.00 0.00 179.01 179.65 2wqn h GLU 266 N 0.59 0.17 -0.24 1.92 4.39 -1.99 0.15 114.58 119.58 2wqn h GLU 266 Ca 0.32 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 2wqn h GLU 266 Cb 0.45 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2wqn h GLU 266 CO -0.11 0.12 0.06 1.25 -1.16 0.00 0.00 179.01 179.17 2wqn h LEU 267 N 0.17 0.36 -0.78 1.33 6.46 -1.65 -1.96 115.31 119.25 2wqn h LEU 267 Ca 0.05 -0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.51 2wqn h LEU 267 Cb -0.02 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 2wqn h LEU 267 CO -0.01 0.49 0.08 0.03 -0.62 0.00 0.00 178.44 178.41 2wqn h ARG 268 N 0.21 1.01 -0.30 1.25 3.08 -1.12 -2.13 114.38 116.38 2wqn h ARG 268 Ca 0.08 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 2wqn h ARG 268 Cb 0.27 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2wqn h ARG 268 CO 0.00 0.94 -0.31 1.96 -1.07 0.00 0.00 179.97 181.49 2wqn h GLN 269 N 0.95 0.64 -0.66 0.04 1.08 -0.67 -1.22 115.11 115.27 2wqn h GLN 269 Ca 0.19 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 2wqn h GLN 269 Cb 0.43 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 2wqn h GLN 269 CO 0.01 0.87 0.27 1.25 -0.95 0.00 0.00 178.83 180.28 2wqn h LEU 270 N 0.54 0.92 0.55 1.46 5.85 -1.03 -1.05 115.31 122.55 2wqn h LEU 270 Ca 0.06 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2wqn h LEU 270 Cb 0.80 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2wqn h LEU 270 CO 0.07 0.84 -0.37 0.58 -0.34 0.00 0.00 178.44 179.22 2wqn h VAL 271 N 0.94 0.25 -0.76 1.05 2.07 -1.27 -2.52 116.25 116.01 2wqn h VAL 271 Ca 0.22 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.91 2wqn h VAL 271 Cb 0.21 0.25 -0.12 0.00 -1.52 0.00 0.00 31.29 30.11 2wqn h VAL 271 CO -0.02 0.00 0.15 0.78 0.02 0.00 0.00 177.57 178.50 2wqn h ASN 272 N -0.88 -0.06 0.65 0.57 2.35 -0.78 -1.69 115.58 115.74 2wqn h ASN 272 Ca -0.06 0.16 -0.18 0.00 -0.55 0.00 0.00 56.30 55.67 2wqn h ASN 272 Cb 0.73 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 2wqn h ASN 272 CO 0.04 -0.08 -0.81 0.00 -1.65 0.00 0.00 177.43 174.93 2wqn h MET 273 N 0.22 0.12 -0.14 0.81 -0.00 -1.22 -3.05 114.93 111.67 2wqn h MET 273 Ca 0.43 -0.12 -0.14 0.00 -0.00 0.00 0.00 59.70 59.87 2wqn h MET 273 Cb 0.77 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.39 2wqn h MET 273 CO -0.56 0.86 -0.51 0.00 -0.00 0.00 0.00 176.91 176.70 2wqn n ILE 275 N -3.96 2.74 -1.69 0.00 -5.35 -0.81 -3.68 119.36 106.60 2wqn n ILE 275 Ca -0.02 -1.80 -0.44 0.00 -0.27 0.00 0.00 62.75 60.22 2wqn n ILE 275 Cb 0.57 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.11 2wqn n ILE 275 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2wqn n ASN 276 N -0.26 3.75 -0.22 7.28 2.85 -1.15 -4.88 115.26 122.63 2wqn n ASN 276 Ca 0.34 1.03 0.22 0.00 -0.11 0.00 0.00 54.58 56.07 2wqn n ASN 276 Cb 1.22 -1.51 0.58 0.00 1.24 0.00 0.00 39.78 41.31 2wqn n ASN 276 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wqn h PRO 277 N 7.43 0.27 -5.62 1.20 0.11 -1.92 -3.39 132.00 130.07 2wqn h PRO 277 Ca -0.45 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.02 2wqn h PRO 277 Cb 1.23 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 2wqn h PRO 277 CO 0.94 0.18 0.25 0.34 -0.21 0.00 0.00 178.00 179.49 2wqn s ASP 278 N -5.64 6.46 0.28 -2.05 -1.08 -1.26 -4.84 116.67 108.53 2wqn s ASP 278 Ca -0.07 0.14 0.01 0.00 -0.52 0.00 0.00 52.55 52.11 2wqn s ASP 278 Cb 0.22 -2.36 0.57 0.00 -1.46 0.00 0.00 42.92 39.90 2wqn s ASP 278 CO 0.78 -0.70 1.79 -0.65 0.52 0.00 0.00 175.17 176.91 2wqn h PRO 279 N 8.57 0.75 0.00 4.34 0.11 -1.96 0.18 132.00 144.00 2wqn h PRO 279 Ca -0.25 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 2wqn h PRO 279 Cb 1.10 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2wqn h PRO 279 CO 0.88 0.50 -0.02 0.93 -0.21 0.00 0.00 178.00 180.07 2wqn h GLU 280 N 0.77 0.00 0.00 1.05 3.07 -1.94 -1.71 114.58 115.82 2wqn h GLU 280 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 2wqn h GLU 280 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2wqn h GLU 280 CO -0.33 0.02 -0.38 0.87 -1.40 0.00 0.00 179.01 177.79 2wqn h LYS 281 N 0.00 0.00 -6.94 2.33 1.57 -1.00 -3.46 116.57 109.07 2wqn h LYS 281 Ca -0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 2wqn h LYS 281 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2wqn h LYS 281 CO 0.00 0.00 0.38 1.03 -0.57 0.00 0.00 179.45 180.30 2wqn s ARG 282 N -3.19 4.33 0.76 3.15 0.52 -0.65 -4.93 118.95 118.95 2wqn s ARG 282 Ca 0.06 1.42 -0.11 0.00 -0.52 0.00 0.00 55.73 56.58 2wqn s ARG 282 Cb 0.11 -2.62 0.05 0.00 0.52 0.00 0.00 34.95 33.01 2wqn s ARG 282 CO 0.69 0.03 1.10 -1.25 0.02 0.00 0.00 175.30 175.88 2wqn s PRO 283 N -2.37 2.39 0.69 3.54 0.04 -1.26 -5.02 135.00 133.00 2wqn s PRO 283 Ca 0.55 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.05 2wqn s PRO 283 Cb -0.20 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2wqn s PRO 283 CO 0.25 -1.39 1.07 0.16 0.04 0.00 0.00 177.00 177.14 2wqn s ASP 284 N -4.09 5.51 0.53 6.66 -4.77 -1.26 -4.93 116.67 114.32 2wqn s ASP 284 Ca 0.60 1.10 0.23 0.00 -3.30 0.00 0.00 52.55 51.18 2wqn s ASP 284 Cb -0.13 -1.94 1.44 0.00 -1.09 0.00 0.00 42.92 41.20 2wqn s ASP 284 CO 0.53 -1.28 2.14 1.62 0.70 0.00 0.00 175.17 178.88 2wqn h VAL 285 N -0.58 0.78 -0.43 2.11 3.04 -1.96 -2.44 116.25 116.76 2wqn h VAL 285 Ca -0.45 -0.25 -0.11 0.00 -1.01 0.00 0.00 66.70 64.88 2wqn h VAL 285 Cb 1.25 1.15 -0.02 0.00 -2.01 0.00 0.00 31.29 31.66 2wqn h VAL 285 CO 0.63 0.06 -0.17 0.74 -1.01 0.00 0.00 177.57 177.83 2wqn h THR 286 N 0.00 1.27 -0.25 3.17 2.02 -1.96 0.35 112.91 117.50 2wqn h THR 286 Ca -0.00 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 2wqn h THR 286 Cb 0.14 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2wqn h THR 286 CO 0.01 0.43 0.01 0.22 0.37 0.00 0.00 175.52 176.56 2wqn h TYR 287 N 0.73 0.48 -0.25 3.16 3.20 -1.82 -1.73 116.97 120.73 2wqn h TYR 287 Ca 0.11 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.92 2wqn h TYR 287 Cb 0.68 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2wqn h TYR 287 CO 0.04 0.59 0.12 0.28 -1.64 0.00 0.00 178.16 177.55 2wqn h VAL 288 N 0.23 0.99 -0.64 1.81 2.07 -1.36 -2.25 116.25 117.09 2wqn h VAL 288 Ca 0.07 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2wqn h VAL 288 Cb 0.39 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2wqn h VAL 288 CO 0.01 0.05 0.37 0.22 0.02 0.00 0.00 177.57 178.24 2wqn h TYR 289 N 0.26 0.69 -0.74 1.57 3.20 -0.91 -1.55 116.97 119.49 2wqn h TYR 289 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2wqn h TYR 289 Cb 0.04 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 2wqn h TYR 289 CO -0.10 0.36 0.41 -0.44 -1.64 0.00 0.00 178.16 176.75 2wqn h ASP 290 N 0.71 0.92 -0.13 -2.11 3.32 -0.85 -0.90 116.42 117.38 2wqn h ASP 290 Ca 0.27 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2wqn h ASP 290 Cb 0.11 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2wqn h ASP 290 CO -0.14 0.74 -0.04 0.58 -1.72 0.00 0.00 179.24 178.65 2wqn h VAL 291 N 1.03 1.30 -0.77 -1.35 2.07 -1.05 -2.18 116.25 115.30 2wqn h VAL 291 Ca 0.26 -1.01 0.10 0.00 0.82 0.00 0.00 66.70 66.88 2wqn h VAL 291 Cb 0.02 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 2wqn h VAL 291 CO -0.04 0.29 0.40 0.00 0.02 0.00 0.00 177.57 178.24 2wqn h ALA 292 N 0.69 1.09 -0.29 1.67 0.00 -0.84 0.17 119.26 121.75 2wqn h ALA 292 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wqn h ALA 292 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2wqn h ALA 292 CO 0.01 -0.01 0.02 0.87 0.00 0.00 0.00 179.25 180.14 2wqn h LYS 293 N 0.66 0.50 0.10 0.00 1.57 -1.15 0.25 116.57 118.50 2wqn h LYS 293 Ca 0.39 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2wqn h LYS 293 Cb 0.42 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2wqn h LYS 293 CO -0.28 0.63 -0.24 0.00 -0.57 0.00 0.00 179.45 178.99 2wqn h ARG 294 N 0.30 -0.42 -0.71 3.15 3.08 -0.75 -0.94 114.38 118.08 2wqn h ARG 294 Ca 0.08 0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 2wqn h ARG 294 Cb 0.40 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 2wqn h ARG 294 CO 0.01 -0.28 0.19 0.52 -1.07 0.00 0.00 179.97 179.34 2wqn h MET 295 N -0.44 1.13 -0.59 0.04 2.86 -0.58 -1.84 114.93 115.52 2wqn h MET 295 Ca 0.03 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2wqn h MET 295 Cb 0.47 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2wqn h MET 295 CO -0.15 0.99 0.33 1.25 1.06 0.00 0.00 176.91 180.39 2wqn h HIS 296 N 1.08 0.80 -0.13 -0.22 -0.00 -0.42 -2.26 115.15 114.00 2wqn h HIS 296 Ca 0.23 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.60 2wqn h HIS 296 Cb 0.35 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 2wqn h HIS 296 CO 0.03 0.57 -0.02 0.00 -0.00 0.00 0.00 177.93 178.51 2wqn h ALA 297 N 1.16 0.10 -0.49 5.26 0.00 -0.73 -2.73 119.26 121.83 2wqn h ALA 297 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wqn h ALA 297 Cb 0.03 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2wqn h ALA 297 CO -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.75 2wqn n THR 299 N 0.73 0.00 0.20 0.00 -2.24 -0.86 -5.04 114.28 107.07 2wqn n THR 299 Ca 0.20 -0.47 0.02 0.00 -2.27 0.00 0.00 64.05 61.54 2wqn n THR 299 Cb 0.80 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 70.08 2wqn n THR 299 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50