#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wtn n MET 1 N 0.00 0.47 -5.11 0.00 -0.00 -0.10 -4.99 117.12 107.39 2wtn n MET 1 Ca 0.00 -1.05 -0.31 0.00 -0.00 0.00 0.00 57.70 56.34 2wtn n MET 1 Cb 0.00 1.24 -0.17 0.00 -0.00 0.00 0.00 33.22 34.29 2wtn n MET 1 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 2wtn s TYR 2 N -5.56 2.36 -0.18 3.17 2.02 -1.26 -1.47 117.35 116.43 2wtn s TYR 2 Ca 0.08 -0.95 -0.06 0.00 -0.37 0.00 0.00 57.07 55.78 2wtn s TYR 2 Cb -0.02 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 2wtn s TYR 2 CO 0.06 -0.38 0.03 0.42 -1.57 0.00 0.00 175.55 174.11 2wtn s ILE 3 N 0.37 4.45 0.12 2.71 1.01 0.12 -4.91 121.20 125.06 2wtn s ILE 3 Ca -0.17 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 2wtn s ILE 3 Cb -0.17 -3.00 -0.06 0.00 0.01 0.00 0.00 42.46 39.24 2wtn s ILE 3 CO 0.08 0.46 0.93 -0.62 0.00 0.00 0.00 174.94 175.79 2wtn s ASP 4 N 0.50 7.47 -0.30 3.58 2.15 -1.26 0.45 116.67 129.27 2wtn s ASP 4 Ca 0.01 1.76 -0.03 0.00 0.43 0.00 0.00 52.55 54.72 2wtn s ASP 4 Cb -0.13 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.01 2wtn s ASP 4 CO 0.01 -0.03 0.12 0.00 -0.17 0.00 0.00 175.17 175.10 2wtn n ASP 6 N 5.09 -3.32 0.00 0.00 8.00 -1.26 -0.66 116.55 124.40 2wtn n ASP 6 Ca -0.04 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.26 2wtn n ASP 6 Cb 0.42 -2.79 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 2wtn n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wtn n GLY 7 N -1.01 3.34 3.66 0.44 0.00 -1.26 -5.03 105.19 105.34 2wtn n GLY 7 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2wtn n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wtn s ILE 8 N -2.61 4.28 -0.03 -0.61 -1.09 0.17 -4.99 121.20 116.31 2wtn s ILE 8 Ca 0.00 1.53 -0.30 0.00 -2.23 0.00 0.00 60.65 59.65 2wtn s ILE 8 Cb 0.00 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2wtn s ILE 8 CO 0.00 -0.19 1.26 -0.54 -1.23 0.00 0.00 174.94 174.24 2wtn s LYS 9 N 3.59 4.34 -0.26 2.79 1.02 -1.26 0.19 119.74 130.14 2wtn s LYS 9 Ca 0.54 1.76 -0.10 0.00 0.02 0.00 0.00 55.97 58.20 2wtn s LYS 9 Cb -0.21 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 2wtn s LYS 9 CO 0.15 -0.47 0.15 -0.51 -0.92 0.00 0.00 175.35 173.75 2wtn s LEU 10 N 2.20 3.89 0.22 3.17 1.43 0.17 -1.44 118.68 128.32 2wtn s LEU 10 Ca 0.58 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 2wtn s LEU 10 Cb -0.27 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 2wtn s LEU 10 CO 0.24 -0.01 1.10 0.21 0.23 0.00 0.00 176.35 178.11 2wtn s ASN 11 N 1.51 7.27 0.09 2.29 2.47 -1.26 0.14 114.94 127.45 2wtn s ASN 11 Ca 0.07 2.15 -0.14 0.00 0.42 0.00 0.00 52.86 55.36 2wtn s ASN 11 Cb -0.15 -2.61 0.02 0.00 -1.45 0.00 0.00 41.25 37.06 2wtn s ASN 11 CO 0.07 -0.19 0.32 0.00 -3.72 0.00 0.00 177.10 173.59 2wtn s ALA 12 N -0.59 -0.69 -0.22 1.71 0.00 -0.54 -0.21 121.76 121.22 2wtn s ALA 12 Ca 0.47 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2wtn s ALA 12 Cb -0.30 0.53 0.05 0.00 0.00 0.00 0.00 23.12 23.39 2wtn s ALA 12 CO 0.37 -0.54 -0.08 0.71 0.00 0.00 0.00 175.76 176.22 2wtn s TYR 13 N -3.43 2.54 -0.43 0.00 2.02 -0.34 -0.92 117.35 116.78 2wtn s TYR 13 Ca 0.01 -1.77 -0.20 0.00 -0.37 0.00 0.00 57.07 54.73 2wtn s TYR 13 Cb 0.02 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.94 2wtn s TYR 13 CO -0.09 -0.78 0.62 -1.17 -1.57 0.00 0.00 175.55 172.56 2wtn s LEU 14 N 1.35 4.52 -0.26 -1.29 2.96 -1.26 -1.63 118.68 123.07 2wtn s LEU 14 Ca -0.04 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 2wtn s LEU 14 Cb -0.18 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.81 2wtn s LEU 14 CO -0.07 -0.75 0.04 -1.81 -1.32 0.00 0.00 176.35 172.44 2wtn s ASP 15 N 1.97 4.88 0.43 3.68 1.01 -0.39 -4.58 116.67 123.67 2wtn s ASP 15 Ca 0.22 -0.47 -0.10 0.00 0.71 0.00 0.00 52.55 52.91 2wtn s ASP 15 Cb -0.14 -1.85 -0.06 0.00 1.01 0.00 0.00 42.92 41.88 2wtn s ASP 15 CO 0.18 -0.09 0.80 -0.04 0.21 0.00 0.00 175.17 176.23 2wtn s MET 16 N 1.53 3.75 0.60 8.23 -1.94 -1.26 -1.23 119.30 128.97 2wtn s MET 16 Ca 0.05 0.47 -0.19 0.00 -1.71 0.00 0.00 55.69 54.30 2wtn s MET 16 Cb -0.16 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.29 2wtn s MET 16 CO 0.01 -0.10 1.21 -2.30 -0.01 0.00 0.00 175.02 173.84 2wtn n PRO 17 N -1.51 1.24 -0.27 2.03 -0.02 -1.26 -4.89 135.00 130.32 2wtn n PRO 17 Ca 0.03 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 2wtn n PRO 17 Cb 0.54 -2.43 0.18 0.00 -0.02 0.00 0.00 33.50 31.77 2wtn n PRO 17 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2wtn h LYS 18 N 0.82 0.57 0.00 -0.52 -0.00 -1.98 0.42 116.57 115.88 2wtn h LYS 18 Ca -0.50 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.12 2wtn h LYS 18 Cb 1.34 -0.13 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 2wtn h LYS 18 CO 0.54 0.38 0.03 0.27 -0.00 0.00 0.00 179.45 180.66 2wtn n ASN 19 N -4.89 0.00 -3.59 7.07 0.23 -1.26 -4.90 115.26 107.92 2wtn n ASN 19 Ca 0.14 0.34 -0.26 0.00 -0.53 0.00 0.00 54.58 54.27 2wtn n ASN 19 Cb 0.37 -0.34 0.01 0.00 -2.08 0.00 0.00 39.78 37.74 2wtn n ASN 19 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wtn n ASN 20 N -1.33 -4.48 -4.82 0.53 6.94 0.14 -4.96 115.26 107.29 2wtn n ASN 20 Ca 0.00 -0.72 -0.32 0.00 -0.02 0.00 0.00 54.58 53.52 2wtn n ASN 20 Cb 0.03 -1.44 0.02 0.00 -2.36 0.00 0.00 39.78 36.03 2wtn n ASN 20 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2wtn s PRO 21 N -4.13 3.28 0.23 -0.53 0.04 -1.26 -4.97 135.00 127.65 2wtn s PRO 21 Ca 0.08 1.03 0.25 0.00 0.04 0.00 0.00 61.00 62.39 2wtn s PRO 21 Cb -0.01 -2.03 0.50 0.00 0.04 0.00 0.00 34.50 33.00 2wtn s PRO 21 CO 0.81 -0.83 1.53 1.49 0.04 0.00 0.00 177.00 180.05 2wtn h GLU 22 N -0.03 0.00 -3.07 4.56 4.81 -1.93 -3.43 114.58 115.49 2wtn h GLU 22 Ca -0.45 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.52 2wtn h GLU 22 Cb 1.21 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.25 2wtn h GLU 22 CO 0.58 0.00 -0.59 0.15 -0.73 0.00 0.00 179.01 178.42 2wtn s LYS 23 N -3.17 0.09 0.13 1.92 -0.14 -1.26 -4.27 119.74 113.04 2wtn s LYS 23 Ca 0.07 0.56 -0.16 0.00 -1.36 0.00 0.00 55.97 55.08 2wtn s LYS 23 Cb 0.11 -0.19 0.04 0.00 -1.68 0.00 0.00 37.83 36.11 2wtn s LYS 23 CO 0.67 -0.26 0.41 0.00 -0.76 0.00 0.00 175.35 175.41 2wtn s PRO 25 N -3.78 1.92 -0.09 0.00 0.02 -1.26 -1.63 135.00 130.18 2wtn s PRO 25 Ca 0.03 0.91 0.03 0.00 0.02 0.00 0.00 61.00 61.99 2wtn s PRO 25 Cb 0.02 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2wtn s PRO 25 CO -0.12 -1.80 -0.20 -1.17 -0.33 0.00 0.00 177.00 173.37 2wtn s LEU 26 N -5.96 1.96 -0.20 -5.54 2.96 -0.02 -0.65 118.68 111.22 2wtn s LEU 26 Ca 0.62 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2wtn s LEU 26 Cb -0.17 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 2wtn s LEU 26 CO 0.56 0.12 -0.00 0.00 -1.32 0.00 0.00 176.35 175.71 2wtn s ILE 28 N 0.92 4.99 -0.11 0.00 1.01 -0.09 -0.98 121.20 126.94 2wtn s ILE 28 Ca 0.01 1.40 0.03 0.00 0.00 0.00 0.00 60.65 62.09 2wtn s ILE 28 Cb -0.14 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.32 2wtn s ILE 28 CO 0.02 0.30 -0.19 -0.63 0.00 0.00 0.00 174.94 174.44 2wtn s ILE 29 N 0.50 1.73 -0.14 2.92 1.01 -0.42 -0.04 121.20 126.77 2wtn s ILE 29 Ca 0.36 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2wtn s ILE 29 Cb -0.18 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.77 2wtn s ILE 29 CO 0.18 0.49 -0.16 -0.63 0.00 0.00 0.00 174.94 174.82 2wtn s ILE 30 N 0.72 1.65 0.95 2.92 -1.09 -0.95 -2.00 121.20 123.41 2wtn s ILE 30 Ca -0.11 -0.69 -0.16 0.00 -2.23 0.00 0.00 60.65 57.46 2wtn s ILE 30 Cb -0.16 -1.52 0.19 0.00 -1.58 0.00 0.00 42.46 39.39 2wtn s ILE 30 CO 0.02 0.47 1.30 -1.38 -1.23 0.00 0.00 174.94 174.12 2wtn s HIS 31 N 1.31 1.72 0.17 3.97 -3.43 -1.26 -1.05 115.29 116.72 2wtn s HIS 31 Ca 0.02 0.38 0.03 0.00 -0.80 0.00 0.00 55.06 54.68 2wtn s HIS 31 Cb -0.13 -4.02 0.03 0.00 -1.43 0.00 0.00 32.58 27.02 2wtn s HIS 31 CO -0.08 -2.60 0.21 0.41 -2.00 0.00 0.00 174.74 170.68 2wtn n GLY 32 N -3.58 2.16 3.69 -1.38 0.00 -1.14 -2.96 105.19 101.97 2wtn n GLY 32 Ca 0.14 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2wtn n GLY 32 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wtn s PHE 33 N -0.21 2.79 0.00 1.61 5.36 -1.26 -0.93 117.98 125.33 2wtn s PHE 33 Ca 0.16 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.80 2wtn s PHE 33 Cb -0.01 -3.78 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 2wtn s PHE 33 CO 0.10 -2.94 0.00 0.25 -1.46 0.00 0.00 175.22 171.17 2wtn n THR 34 N 4.54 0.00 -1.70 0.12 -2.24 -1.26 -5.02 114.28 108.71 2wtn n THR 34 Ca 0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.78 2wtn n THR 34 Cb 0.42 -0.31 0.09 0.00 -2.10 0.00 0.00 70.33 68.43 2wtn n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtn n GLY 35 N -1.94 -0.77 3.80 3.38 0.00 -0.11 -4.92 105.19 104.63 2wtn n GLY 35 Ca 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 2wtn n GLY 35 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wtn s HIS 36 N -2.12 -0.12 -1.45 1.61 -3.43 -1.26 -3.83 115.29 104.68 2wtn s HIS 36 Ca 0.35 -0.26 0.20 0.00 -0.80 0.00 0.00 55.06 54.55 2wtn s HIS 36 Cb -0.01 0.68 1.02 0.00 -1.43 0.00 0.00 32.58 32.83 2wtn s HIS 36 CO 0.24 -1.00 1.63 0.43 -2.00 0.00 0.00 174.74 174.04 2wtn n SER 37 N -0.56 0.00 -1.04 7.38 7.64 -1.26 -2.90 113.62 122.87 2wtn n SER 37 Ca -0.05 -0.02 0.09 0.00 1.01 0.00 0.00 58.87 59.90 2wtn n SER 37 Cb 0.60 -0.27 0.24 0.00 -1.01 0.00 0.00 64.21 63.76 2wtn n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wtn n GLU 38 N -1.27 2.63 -1.71 1.43 1.02 -1.26 -4.46 120.64 117.02 2wtn n GLU 38 Ca 0.10 -2.33 -0.35 0.00 -0.02 0.00 0.00 57.16 54.55 2wtn n GLU 38 Cb 0.16 -1.45 0.07 0.00 -0.02 0.00 0.00 31.44 30.20 2wtn n GLU 38 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wtn s GLU 39 N -1.08 2.54 0.18 3.49 2.02 -1.14 -4.75 118.70 119.95 2wtn s GLU 39 Ca 0.37 1.84 -0.15 0.00 0.02 0.00 0.00 54.97 57.06 2wtn s GLU 39 Cb 0.20 -1.87 0.15 0.00 0.10 0.00 0.00 34.13 32.70 2wtn s GLU 39 CO 0.26 -1.55 1.70 -0.09 0.02 0.00 0.00 175.26 175.60 2wtn h ARG 40 N 0.31 0.12 0.00 1.61 2.43 -1.94 -0.29 114.38 116.62 2wtn h ARG 40 Ca -0.49 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.56 2wtn h ARG 40 Cb 1.30 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2wtn h ARG 40 CO 0.52 0.08 -0.52 1.12 -1.51 0.00 0.00 179.97 179.67 2wtn h HIS 41 N 0.13 0.00 -0.10 2.20 2.07 -1.90 -0.09 115.15 117.46 2wtn h HIS 41 Ca 0.22 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.68 2wtn h HIS 41 Cb 0.32 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.30 2wtn h HIS 41 CO -0.28 0.52 -0.17 0.82 -3.07 0.00 0.00 177.93 175.75 2wtn h ILE 42 N 0.00 1.39 -0.65 6.12 1.08 -1.45 -2.73 117.51 121.26 2wtn h ILE 42 Ca -0.01 -1.43 -0.02 0.00 -0.39 0.00 0.00 64.86 63.02 2wtn h ILE 42 Cb 1.01 2.08 -0.03 0.00 -3.07 0.00 0.00 36.82 36.81 2wtn h ILE 42 CO 0.07 0.41 0.35 0.58 -0.69 0.00 0.00 178.15 178.86 2wtn h VAL 43 N -0.15 1.21 -0.33 1.67 2.07 -0.98 -0.93 116.25 118.82 2wtn h VAL 43 Ca 0.01 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2wtn h VAL 43 Cb 0.74 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2wtn h VAL 43 CO 0.04 0.23 0.22 0.00 0.02 0.00 0.00 177.57 178.08 2wtn h ALA 44 N 1.17 0.42 -0.41 1.67 0.00 -0.97 0.10 119.26 121.24 2wtn h ALA 44 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2wtn h ALA 44 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wtn h ALA 44 CO -0.03 -0.12 0.18 0.28 0.00 0.00 0.00 179.25 179.55 2wtn h VAL 45 N 0.44 1.19 -0.33 0.00 2.07 -1.40 -1.27 116.25 116.95 2wtn h VAL 45 Ca 0.12 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2wtn h VAL 45 Cb -0.05 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2wtn h VAL 45 CO -0.03 0.21 0.19 -0.61 0.02 0.00 0.00 177.57 177.34 2wtn h GLN 46 N 0.51 0.38 -0.23 1.57 -0.00 -0.75 -1.89 115.11 114.70 2wtn h GLN 46 Ca 0.14 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.75 2wtn h GLN 46 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.55 2wtn h GLN 46 CO -0.01 0.25 0.08 0.93 0.00 0.00 0.00 178.83 180.07 2wtn h GLU 47 N 0.39 0.35 -0.97 1.69 5.08 -0.68 -1.42 114.58 119.00 2wtn h GLU 47 Ca 0.13 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 2wtn h GLU 47 Cb 0.00 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.12 2wtn h GLU 47 CO -0.06 0.42 0.62 1.15 -1.00 0.00 0.00 179.01 180.14 2wtn h THR 48 N 0.20 0.91 -0.14 1.13 2.02 -1.18 -1.42 112.91 114.43 2wtn h THR 48 Ca 0.07 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 2wtn h THR 48 Cb 0.22 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2wtn h THR 48 CO -0.00 0.17 -0.11 -0.07 0.37 0.00 0.00 175.52 175.88 2wtn h LEU 49 N 0.93 0.34 -0.99 2.58 3.38 -0.97 -3.05 115.31 117.53 2wtn h LEU 49 Ca 0.48 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 58.06 2wtn h LEU 49 Cb 0.53 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2wtn h LEU 49 CO -0.25 0.72 0.64 0.78 0.09 0.00 0.00 178.44 180.42 2wtn h ASN 50 N -0.04 1.01 0.89 -0.43 -0.26 -0.56 -1.12 115.58 115.08 2wtn h ASN 50 Ca 0.03 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2wtn h ASN 50 Cb 0.61 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2wtn h ASN 50 CO 0.03 0.64 0.00 1.05 -1.06 0.00 0.00 177.43 178.09 2wtn h GLU 51 N 1.15 0.00 -0.65 0.81 4.11 -1.18 -1.50 114.58 117.32 2wtn h GLU 51 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 2wtn h GLU 51 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wtn h GLU 51 CO -0.18 0.00 0.00 0.44 0.07 0.00 0.00 179.01 179.34 2wtn n ILE 52 N -2.94 2.00 -0.37 -1.06 -5.35 -0.51 -4.94 119.36 106.18 2wtn n ILE 52 Ca 0.01 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 2wtn n ILE 52 Cb 0.27 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 2wtn n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wtn n GLY 53 N 1.05 0.75 3.63 3.28 0.00 -0.56 -5.03 105.19 108.31 2wtn n GLY 53 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 2wtn n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wtn s VAL 54 N -2.35 5.24 0.67 1.61 1.01 -0.67 -4.44 120.40 121.46 2wtn s VAL 54 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 2wtn s VAL 54 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2wtn s VAL 54 CO 0.00 0.23 1.16 0.00 0.00 0.00 0.00 175.10 176.49 2wtn s ALA 55 N 1.64 2.36 -0.03 5.51 0.00 0.17 -3.03 121.76 128.39 2wtn s ALA 55 Ca 0.13 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.91 2wtn s ALA 55 Cb -0.15 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2wtn s ALA 55 CO 0.09 -1.45 -0.19 0.95 0.00 0.00 0.00 175.76 175.15 2wtn s THR 56 N -2.04 1.55 -0.33 0.00 -4.23 -0.37 -0.97 115.64 109.25 2wtn s THR 56 Ca 0.72 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 60.45 2wtn s THR 56 Cb -0.26 -1.31 0.10 0.00 1.34 0.00 0.00 72.50 72.37 2wtn s THR 56 CO 0.40 0.44 0.05 -0.22 -0.54 0.00 0.00 174.62 174.75 2wtn s LEU 57 N -0.22 4.28 -0.22 4.79 2.96 -0.15 -1.26 118.68 128.85 2wtn s LEU 57 Ca 0.02 -2.02 -0.18 0.00 -0.22 0.00 0.00 54.13 51.73 2wtn s LEU 57 Cb -0.10 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2wtn s LEU 57 CO 0.01 -0.37 0.51 -0.13 -1.32 0.00 0.00 176.35 175.05 2wtn s ARG 58 N 1.03 4.14 -0.11 1.98 0.52 -0.65 -1.29 118.95 124.57 2wtn s ARG 58 Ca 0.09 0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.69 2wtn s ARG 58 Cb -0.19 -3.59 -0.01 0.00 0.52 0.00 0.00 34.95 31.68 2wtn s ARG 58 CO -0.10 -0.22 -0.18 0.00 0.02 0.00 0.00 175.30 174.82 2wtn s ALA 59 N 1.87 2.43 -0.17 2.13 0.00 -0.85 -1.20 121.76 125.97 2wtn s ALA 59 Ca 0.23 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 2wtn s ALA 59 Cb -0.15 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 2wtn s ALA 59 CO 0.09 0.31 0.83 -0.51 0.00 0.00 0.00 175.76 176.48 2wtn s ASP 60 N 0.20 6.95 0.73 0.00 1.01 0.70 -4.48 116.67 121.78 2wtn s ASP 60 Ca -0.11 1.17 -0.11 0.00 0.71 0.00 0.00 52.55 54.22 2wtn s ASP 60 Cb -0.16 -2.45 0.04 0.00 1.01 0.00 0.00 42.92 41.35 2wtn s ASP 60 CO 0.06 -0.40 1.10 -0.04 0.21 0.00 0.00 175.17 176.10 2wtn s MET 61 N 2.16 2.53 0.06 8.23 -1.94 -1.26 -4.22 119.30 124.86 2wtn s MET 61 Ca 0.38 0.25 -0.37 0.00 -1.71 0.00 0.00 55.69 54.24 2wtn s MET 61 Cb -0.17 -2.04 -0.19 0.00 2.01 0.00 0.00 34.83 34.45 2wtn s MET 61 CO 0.12 -1.19 1.09 0.98 -0.01 0.00 0.00 175.02 176.01 2wtn n TYR 62 N -3.06 0.81 -1.11 -0.03 9.36 -1.26 -0.62 117.16 121.26 2wtn n TYR 62 Ca 0.07 0.91 -0.04 0.00 3.32 0.00 0.00 57.90 62.17 2wtn n TYR 62 Cb 0.59 -2.16 -0.02 0.00 -0.63 0.00 0.00 39.34 37.13 2wtn n TYR 62 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wtn n GLY 63 N 1.84 0.56 3.32 2.98 0.00 -0.35 -4.83 105.19 108.70 2wtn n GLY 63 Ca 0.19 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2wtn n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wtn s HIS 64 N -1.76 1.54 0.00 1.61 3.76 0.21 -3.46 115.29 117.19 2wtn s HIS 64 Ca 0.00 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 2wtn s HIS 64 Cb 0.00 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2wtn s HIS 64 CO 0.00 0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 2wtn n GLY 65 N -0.34 3.34 1.51 -2.22 0.00 -1.25 -1.33 105.19 104.90 2wtn n GLY 65 Ca -0.08 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.88 2wtn n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wtn n LYS 66 N 14.00 3.97 -1.93 1.61 5.02 -1.26 -4.98 118.16 134.59 2wtn n LYS 66 Ca 0.00 -3.05 -0.30 0.00 -2.02 0.00 0.00 58.31 52.94 2wtn n LYS 66 Cb 0.00 -2.10 0.03 0.00 -0.02 0.00 0.00 35.03 32.94 2wtn n LYS 66 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2wtn s SER 67 N -1.29 5.75 0.91 4.39 0.01 -0.44 -4.52 113.70 118.50 2wtn s SER 67 Ca 0.50 1.20 -0.11 0.00 1.31 0.00 0.00 55.95 58.84 2wtn s SER 67 Cb 0.39 -2.11 0.13 0.00 0.21 0.00 0.00 66.02 64.65 2wtn s SER 67 CO 0.13 -1.14 1.09 -1.81 0.41 0.00 0.00 173.24 171.92 2wtn s ASP 68 N -4.29 3.35 0.00 2.44 1.01 -0.52 -4.50 116.67 114.17 2wtn s ASP 68 Ca 0.57 1.56 0.00 0.00 0.71 0.00 0.00 52.55 55.39 2wtn s ASP 68 Cb -0.11 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.59 2wtn s ASP 68 CO 0.52 -2.73 0.00 0.61 0.21 0.00 0.00 175.17 173.78 2wtn n GLY 69 N -0.92 1.32 3.82 0.21 0.00 -1.26 -1.21 105.19 107.15 2wtn n GLY 69 Ca 0.07 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 2wtn n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wtn s LYS 70 N -3.98 4.21 0.27 1.61 1.02 -1.26 -3.76 119.74 117.85 2wtn s LYS 70 Ca 0.00 0.78 -0.01 0.00 0.02 0.00 0.00 55.97 56.76 2wtn s LYS 70 Cb 0.00 -3.01 0.62 0.00 -0.52 0.00 0.00 37.83 34.91 2wtn s LYS 70 CO 0.00 0.49 1.64 0.35 -0.92 0.00 0.00 175.35 176.91 2wtn h PHE 71 N 3.80 0.18 0.00 3.18 3.57 -1.88 0.36 116.94 126.14 2wtn h PHE 71 Ca -0.48 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 2wtn h PHE 71 Cb 1.20 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2wtn h PHE 71 CO 0.65 -0.24 -0.17 1.05 -2.23 0.00 0.00 178.31 177.38 2wtn h GLU 72 N 0.16 0.00 -0.01 1.11 4.11 -1.90 -1.78 114.58 116.27 2wtn h GLU 72 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 2wtn h GLU 72 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2wtn h GLU 72 CO -0.68 0.17 -0.14 -0.25 0.07 0.00 0.00 179.01 178.17 2wtn n ASP 73 N -3.52 0.86 -4.80 3.06 8.00 0.11 -1.80 116.55 118.46 2wtn n ASP 73 Ca -0.01 -0.89 -0.35 0.00 0.71 0.00 0.00 54.79 54.25 2wtn n ASP 73 Cb 0.32 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.40 2wtn n ASP 73 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2wtn s HIS 74 N -2.38 3.20 0.21 1.24 -3.43 -0.67 -4.99 115.29 108.48 2wtn s HIS 74 Ca 0.30 1.62 -0.02 0.00 -0.80 0.00 0.00 55.06 56.16 2wtn s HIS 74 Cb 0.20 -3.03 -0.04 0.00 -1.43 0.00 0.00 32.58 28.28 2wtn s HIS 74 CO 0.46 -0.53 0.17 0.95 -2.00 0.00 0.00 174.74 173.79 2wtn s THR 75 N -1.89 0.00 0.29 -5.38 -4.23 -1.26 -4.48 115.64 98.69 2wtn s THR 75 Ca 0.62 -1.95 0.19 0.00 -1.18 0.00 0.00 61.69 59.37 2wtn s THR 75 Cb -0.17 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.35 2wtn s THR 75 CO 0.21 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 176.06 2wtn h LEU 76 N 2.57 0.00 -0.39 4.79 3.38 -1.95 -1.02 115.31 122.69 2wtn h LEU 76 Ca -0.35 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 2wtn h LEU 76 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2wtn h LEU 76 CO 0.51 0.32 -0.07 -0.26 0.09 0.00 0.00 178.44 179.03 2wtn h PHE 77 N 0.00 0.83 -0.32 1.13 0.04 -1.96 0.04 116.94 116.69 2wtn h PHE 77 Ca -0.00 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 2wtn h PHE 77 Cb 0.70 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 2wtn h PHE 77 CO 0.00 0.86 0.17 0.87 -0.60 0.00 0.00 178.31 179.62 2wtn h LYS 78 N 0.55 0.45 -0.43 1.51 1.57 -1.90 0.10 116.57 118.43 2wtn h LYS 78 Ca 0.10 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2wtn h LYS 78 Cb 0.58 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2wtn h LYS 78 CO 0.03 0.39 0.23 -1.49 -0.57 0.00 0.00 179.45 178.04 2wtn h TRP 79 N 0.40 0.43 -0.54 -1.35 4.06 -1.18 0.13 115.95 117.90 2wtn h TRP 79 Ca 0.11 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.06 2wtn h TRP 79 Cb 0.07 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 2wtn h TRP 79 CO -0.03 0.24 0.27 -0.07 -3.56 0.00 0.00 178.44 175.29 2wtn h LEU 80 N 0.47 0.69 -0.81 -4.49 3.38 -0.89 0.12 115.31 113.78 2wtn h LEU 80 Ca 0.18 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2wtn h LEU 80 Cb 0.05 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2wtn h LEU 80 CO -0.10 0.61 0.54 0.74 0.09 0.00 0.00 178.44 180.32 2wtn h THR 81 N 0.72 1.20 -0.35 0.22 2.02 -0.32 -1.07 112.91 115.34 2wtn h THR 81 Ca 0.19 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2wtn h THR 81 Cb 0.09 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 2wtn h THR 81 CO -0.03 0.20 0.18 0.78 0.37 0.00 0.00 175.52 177.02 2wtn h ASN 82 N 1.09 0.44 -0.89 4.18 -0.26 -0.47 -2.35 115.58 117.32 2wtn h ASN 82 Ca 0.30 -0.11 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 2wtn h ASN 82 Cb -0.11 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.00 2wtn h ASN 82 CO -0.07 0.43 0.49 0.40 -1.06 0.00 0.00 177.43 177.62 2wtn h ILE 83 N 0.43 1.26 -0.48 2.81 2.04 -0.44 -1.25 117.51 121.88 2wtn h ILE 83 Ca 0.12 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2wtn h ILE 83 Cb 0.10 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2wtn h ILE 83 CO -0.02 0.29 0.22 -0.07 0.00 0.00 0.00 178.15 178.57 2wtn h LEU 84 N 1.25 0.60 -0.70 1.44 3.38 -0.79 -0.91 115.31 119.57 2wtn h LEU 84 Ca 0.31 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 2wtn h LEU 84 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2wtn h LEU 84 CO -0.05 0.52 -0.30 0.00 0.09 0.00 0.00 178.44 178.70 2wtn h ALA 85 N 1.57 0.88 -0.14 1.53 0.00 -0.86 -0.84 119.26 121.41 2wtn h ALA 85 Ca 0.17 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 2wtn h ALA 85 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wtn h ALA 85 CO -0.02 0.63 -0.74 0.28 0.00 0.00 0.00 179.25 179.40 2wtn h VAL 86 N 0.57 1.31 -0.55 0.00 2.07 -0.74 -1.89 116.25 117.02 2wtn h VAL 86 Ca 0.07 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 2wtn h VAL 86 Cb 0.80 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 2wtn h VAL 86 CO 0.07 0.63 0.21 0.58 0.02 0.00 0.00 177.57 179.07 2wtn h VAL 87 N 0.45 1.23 -0.09 2.57 2.07 -1.02 -0.40 116.25 121.05 2wtn h VAL 87 Ca -0.04 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 2wtn h VAL 87 Cb 1.34 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2wtn h VAL 87 CO 0.14 0.27 -0.37 0.44 0.02 0.00 0.00 177.57 178.08 2wtn h ASP 88 N 0.76 0.18 -0.29 0.57 3.32 -1.02 -1.78 116.42 118.15 2wtn h ASP 88 Ca 0.18 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2wtn h ASP 88 Cb 0.22 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2wtn h ASP 88 CO -0.01 0.54 -0.01 0.22 -1.72 0.00 0.00 179.24 178.26 2wtn h TYR 89 N 0.15 0.57 -0.42 4.55 3.20 -1.17 -3.23 116.97 120.62 2wtn h TYR 89 Ca 0.02 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 2wtn h TYR 89 Cb 0.72 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2wtn h TYR 89 CO 0.01 0.67 0.20 0.00 -1.64 0.00 0.00 178.16 177.39 2wtn h ALA 90 N 0.82 1.56 0.00 1.82 0.00 -0.36 -2.76 119.26 120.35 2wtn h ALA 90 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wtn h ALA 90 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wtn h ALA 90 CO 0.02 0.35 -0.06 0.87 0.00 0.00 0.00 179.25 180.43 2wtn h LYS 91 N 0.58 0.00 -0.61 0.00 1.57 -1.37 -2.52 116.57 114.22 2wtn h LYS 91 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2wtn h LYS 91 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2wtn h LYS 91 CO -0.02 0.06 0.00 1.63 -0.57 0.00 0.00 179.45 180.55 2wtn n LYS 92 N -3.70 2.80 -3.37 3.15 5.02 -1.04 -4.91 118.16 116.11 2wtn n LYS 92 Ca -0.02 -2.24 -0.37 0.00 -2.02 0.00 0.00 58.31 53.65 2wtn n LYS 92 Cb 0.16 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 2wtn n LYS 92 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wtn s LEU 93 N -1.29 4.26 0.19 -0.35 1.43 -0.95 -4.97 118.68 117.00 2wtn s LEU 93 Ca 0.41 0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 54.17 2wtn s LEU 93 Cb 0.24 -2.61 0.10 0.00 0.03 0.00 0.00 46.19 43.94 2wtn s LEU 93 CO 0.24 0.02 1.57 0.44 0.23 0.00 0.00 176.35 178.85 2wtn h ASP 94 N 6.73 0.86 0.37 2.29 3.45 -1.91 -2.85 116.42 125.35 2wtn h ASP 94 Ca -0.41 -0.35 0.00 0.00 0.43 0.00 0.00 57.03 56.70 2wtn h ASP 94 Cb 1.17 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 2wtn h ASP 94 CO 0.76 1.09 0.00 2.19 -1.57 0.00 0.00 179.24 181.71 2wtn h PHE 95 N 0.70 0.00 -3.14 4.55 -0.00 -1.94 -3.44 116.94 113.67 2wtn h PHE 95 Ca 0.08 0.00 -0.56 0.00 -0.00 0.00 0.00 57.97 57.49 2wtn h PHE 95 Cb 0.85 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 36.75 2wtn h PHE 95 CO 0.05 0.00 0.69 0.08 -0.00 0.00 0.00 178.31 179.13 2wtn s VAL 96 N -3.54 4.60 0.00 0.88 1.01 -1.08 -1.62 120.40 120.65 2wtn s VAL 96 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2wtn s VAL 96 Cb 0.08 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2wtn s VAL 96 CO 0.32 -0.06 0.00 0.35 0.00 0.00 0.00 175.10 175.71 2wtn n THR 97 N 4.85 0.00 -3.51 3.92 -2.24 -0.65 -4.92 114.28 111.73 2wtn n THR 97 Ca 0.11 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.57 2wtn n THR 97 Cb 0.47 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 2wtn n THR 97 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wtn s ASP 98 N -1.00 6.55 -0.18 3.42 1.01 -1.26 -4.94 116.67 120.27 2wtn s ASP 98 Ca 0.00 0.76 -0.04 0.00 0.71 0.00 0.00 52.55 53.98 2wtn s ASP 98 Cb 0.00 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 2wtn s ASP 98 CO 0.00 -0.04 -0.03 -0.63 0.21 0.00 0.00 175.17 174.68 2wtn s ILE 99 N -1.79 3.79 0.32 0.77 1.01 -1.26 -0.85 121.20 123.19 2wtn s ILE 99 Ca 0.44 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 60.80 2wtn s ILE 99 Cb -0.11 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 2wtn s ILE 99 CO 0.24 0.46 0.05 -0.31 0.00 0.00 0.00 174.94 175.38 2wtn s TYR 100 N 0.72 2.63 -0.04 3.97 2.02 0.14 -0.93 117.35 125.86 2wtn s TYR 100 Ca -0.02 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 2wtn s TYR 100 Cb -0.14 -1.47 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 2wtn s TYR 100 CO 0.02 0.47 -0.09 -1.64 -1.57 0.00 0.00 175.55 172.74 2wtn s MET 101 N -3.75 1.18 0.12 -0.62 -1.94 -0.97 -0.91 119.30 112.40 2wtn s MET 101 Ca 0.35 -0.29 0.03 0.00 -1.71 0.00 0.00 55.69 54.06 2wtn s MET 101 Cb -0.02 -1.06 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 2wtn s MET 101 CO 0.21 0.04 -0.07 0.00 -0.01 0.00 0.00 175.02 175.18 2wtn s ALA 102 N 0.53 1.15 -0.21 3.03 0.00 0.94 0.42 121.76 127.63 2wtn s ALA 102 Ca -0.09 -1.42 -0.33 0.00 0.00 0.00 0.00 51.96 50.13 2wtn s ALA 102 Cb -0.13 0.16 0.15 0.00 0.00 0.00 0.00 23.12 23.31 2wtn s ALA 102 CO 0.01 -0.20 1.21 0.20 0.00 0.00 0.00 175.76 176.98 2wtn s GLY 103 N -3.09 -0.19 -0.13 0.00 0.00 -0.86 -2.23 107.32 100.82 2wtn s GLY 103 Ca 0.14 1.99 -0.01 0.00 0.00 0.00 0.00 44.72 46.85 2wtn s GLY 103 CO -0.02 0.76 -0.11 -1.58 0.00 0.00 0.00 173.10 172.15 2wtn s HIS 104 N -1.85 2.85 0.00 1.90 2.46 -0.21 -0.87 115.29 119.57 2wtn s HIS 104 Ca 0.07 -0.52 0.00 0.00 0.47 0.00 0.00 55.06 55.08 2wtn s HIS 104 Cb -0.01 -1.85 0.00 0.00 -0.13 0.00 0.00 32.58 30.59 2wtn s HIS 104 CO -0.05 -0.13 0.00 0.45 -2.47 0.00 0.00 174.74 172.54 2wtn n SER 105 N 3.41 0.00 -0.26 9.88 2.88 -0.24 -0.65 113.62 128.64 2wtn n SER 105 Ca -0.18 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.56 2wtn n SER 105 Cb 0.53 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.49 2wtn n SER 105 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2wtn h GLN 106 N 0.00 0.40 -0.03 -1.46 4.15 -1.86 0.85 115.11 117.16 2wtn h GLN 106 Ca 0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 2wtn h GLN 106 Cb 0.00 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2wtn h GLN 106 CO 0.00 0.27 -0.52 0.78 -1.93 0.00 0.00 178.83 177.42 2wtn h GLY 107 N 0.41 0.09 0.88 2.39 0.00 -0.77 -0.62 103.07 105.46 2wtn h GLY 107 Ca 0.49 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 2wtn h GLY 107 CO -0.19 0.09 0.02 -1.33 0.00 0.00 0.00 176.54 175.13 2wtn h GLY 108 N 1.51 0.06 0.36 4.60 0.00 -0.86 -1.64 103.07 107.10 2wtn h GLY 108 Ca -0.00 -0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.37 2wtn h GLY 108 CO 0.07 0.03 0.02 -2.00 0.00 0.00 0.00 176.54 174.67 2wtn h LEU 109 N -0.06 -0.12 -0.64 3.11 5.85 -0.91 -1.85 115.31 120.69 2wtn h LEU 109 Ca 0.01 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2wtn h LEU 109 Cb 0.13 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2wtn h LEU 109 CO -0.00 -0.03 0.26 0.28 -0.34 0.00 0.00 178.44 178.61 2wtn h SER 110 N 0.14 0.88 0.33 1.25 0.02 -0.98 -0.95 113.55 114.23 2wtn h SER 110 Ca 0.21 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2wtn h SER 110 Cb 0.29 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2wtn h SER 110 CO -0.33 0.81 -0.38 -0.37 -1.14 0.00 0.00 176.83 175.42 2wtn h VAL 111 N 0.90 1.29 -0.52 2.27 -1.51 -1.22 0.92 116.25 118.37 2wtn h VAL 111 Ca 0.21 -1.38 0.05 0.00 -1.23 0.00 0.00 66.70 64.36 2wtn h VAL 111 Cb 0.20 1.69 -0.05 0.00 -2.13 0.00 0.00 31.29 31.00 2wtn h VAL 111 CO -0.02 0.40 0.25 0.24 -1.23 0.00 0.00 177.57 177.21 2wtn h MET 112 N 0.07 0.47 0.10 5.19 2.07 -0.34 0.12 114.93 122.61 2wtn h MET 112 Ca 0.01 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 2wtn h MET 112 Cb 0.72 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 2wtn h MET 112 CO 0.05 0.31 -0.05 -0.07 1.07 0.00 0.00 176.91 178.23 2wtn h LEU 113 N 0.49 -0.12 -1.10 1.22 3.38 -1.00 -3.00 115.31 115.18 2wtn h LEU 113 Ca 0.23 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2wtn h LEU 113 Cb 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2wtn h LEU 113 CO -0.17 0.26 -0.33 0.00 0.09 0.00 0.00 178.44 178.28 2wtn h ALA 114 N 0.33 1.24 -0.23 1.53 0.00 -0.75 -2.05 119.26 119.33 2wtn h ALA 114 Ca -0.01 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2wtn h ALA 114 Cb 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wtn h ALA 114 CO 0.02 0.52 -0.34 0.00 0.00 0.00 0.00 179.25 179.45 2wtn h ALA 115 N 1.48 0.36 -0.33 0.00 0.00 -0.82 -1.23 119.26 118.70 2wtn h ALA 115 Ca 0.02 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.58 2wtn h ALA 115 Cb 0.68 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 2wtn h ALA 115 CO 0.05 0.41 -0.16 0.00 0.00 0.00 0.00 179.25 179.55 2wtn h ALA 116 N 0.64 0.10 0.00 0.00 0.00 -1.35 0.14 119.26 118.80 2wtn h ALA 116 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2wtn h ALA 116 Cb 0.92 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wtn h ALA 116 CO 0.08 -0.54 -0.06 0.52 0.00 0.00 0.00 179.25 179.25 2wtn h MET 117 N -0.10 0.00 -0.50 0.00 2.86 -1.16 -2.01 114.93 114.02 2wtn h MET 117 Ca 0.17 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.46 2wtn h MET 117 Cb 0.36 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 31.77 2wtn h MET 117 CO -0.40 0.06 -0.50 0.39 1.06 0.00 0.00 176.91 177.52 2wtn n GLU 118 N -3.52 2.72 -0.22 1.72 -0.58 -0.48 -4.90 120.64 115.38 2wtn n GLU 118 Ca -0.02 -3.72 0.06 0.00 -0.42 0.00 0.00 57.16 53.06 2wtn n GLU 118 Cb 0.18 -2.03 0.33 0.00 -0.57 0.00 0.00 31.44 29.36 2wtn n GLU 118 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2wtn h ARG 119 N 1.66 0.78 0.00 3.49 0.11 0.02 0.09 114.38 120.53 2wtn h ARG 119 Ca 0.26 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.28 2wtn h ARG 119 Cb 1.36 -0.18 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 2wtn h ARG 119 CO 0.55 0.52 -0.07 0.38 0.10 0.00 0.00 179.97 181.45 2wtn h ASP 120 N 0.80 0.00 0.00 0.08 2.03 -1.86 -3.29 116.42 114.19 2wtn h ASP 120 Ca 0.34 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.38 2wtn h ASP 120 Cb 0.29 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.74 2wtn h ASP 120 CO -0.12 0.07 -2.06 -0.38 -1.03 0.00 0.00 179.24 175.71 2wtn n ILE 121 N -3.47 1.00 -3.59 4.15 2.08 -0.05 -4.95 119.36 114.53 2wtn n ILE 121 Ca -0.02 -0.65 -0.39 0.00 0.56 0.00 0.00 62.75 62.25 2wtn n ILE 121 Cb 0.20 -0.52 -0.11 0.00 -0.75 0.00 0.00 39.64 38.46 2wtn n ILE 121 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2wtn s ILE 122 N -2.45 5.12 0.05 1.39 -1.09 -0.80 -4.37 121.20 119.05 2wtn s ILE 122 Ca -0.08 -0.08 -0.15 0.00 -2.23 0.00 0.00 60.65 58.12 2wtn s ILE 122 Cb 0.05 -3.52 -0.29 0.00 -1.58 0.00 0.00 42.46 37.11 2wtn s ILE 122 CO 0.66 0.14 1.09 0.50 -1.23 0.00 0.00 174.94 176.10 2wtn h LYS 123 N 8.40 0.62 -3.65 2.79 3.64 -1.36 -3.46 116.57 123.56 2wtn h LYS 123 Ca -0.34 -0.83 -0.07 0.00 -1.27 0.00 0.00 60.65 58.14 2wtn h LYS 123 Cb 1.17 0.28 -0.12 0.00 -0.41 0.00 0.00 32.23 33.14 2wtn h LYS 123 CO 0.59 1.38 -0.21 0.00 -2.27 0.00 0.00 179.45 178.94 2wtn s ALA 124 N -2.96 -0.44 -0.08 5.00 0.00 -1.26 -4.15 121.76 117.86 2wtn s ALA 124 Ca -0.10 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.37 2wtn s ALA 124 Cb 0.05 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.92 2wtn s ALA 124 CO 0.93 -0.64 -0.13 -1.17 0.00 0.00 0.00 175.76 174.75 2wtn s LEU 125 N -2.89 1.62 -0.62 0.00 2.96 -0.52 -2.30 118.68 116.93 2wtn s LEU 125 Ca 0.10 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 2wtn s LEU 125 Cb 0.02 -0.88 0.15 0.00 0.50 0.00 0.00 46.19 45.99 2wtn s LEU 125 CO -0.06 0.02 0.39 -0.63 -1.32 0.00 0.00 176.35 174.75 2wtn s ILE 126 N 0.80 2.65 -0.20 6.68 1.01 0.17 -1.38 121.20 130.92 2wtn s ILE 126 Ca -0.12 -3.81 -0.29 0.00 0.00 0.00 0.00 60.65 56.43 2wtn s ILE 126 Cb -0.15 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.54 2wtn s ILE 126 CO 0.02 -0.93 1.02 -2.84 0.00 0.00 0.00 174.94 172.21 2wtn s PRO 127 N -0.91 4.29 -0.40 2.79 0.02 -1.14 -2.03 135.00 137.63 2wtn s PRO 127 Ca 0.22 1.35 -0.14 0.00 0.02 0.00 0.00 61.00 62.44 2wtn s PRO 127 Cb -0.13 -3.62 0.01 0.00 0.02 0.00 0.00 34.50 30.79 2wtn s PRO 127 CO -0.10 -0.56 0.29 -0.51 -0.33 0.00 0.00 177.00 175.79 2wtn s LEU 128 N 2.92 5.01 -1.06 -5.54 1.43 -0.05 -2.20 118.68 119.19 2wtn s LEU 128 Ca 0.45 -0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 52.44 2wtn s LEU 128 Cb -0.16 -2.15 0.04 0.00 0.03 0.00 0.00 46.19 43.95 2wtn s LEU 128 CO 0.09 -0.42 0.62 -1.20 0.23 0.00 0.00 176.35 175.67 2wtn n SER 129 N 5.14 -3.92 -4.71 2.29 7.64 0.76 -1.08 113.62 119.74 2wtn n SER 129 Ca -0.11 -1.16 -0.42 0.00 1.01 0.00 0.00 58.87 58.18 2wtn n SER 129 Cb 0.47 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.18 2wtn n SER 129 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wtn s PRO 130 N -6.84 4.22 -0.84 1.43 0.04 -1.26 -2.72 135.00 129.04 2wtn s PRO 130 Ca 0.37 2.33 -0.06 0.00 0.04 0.00 0.00 61.00 63.68 2wtn s PRO 130 Cb -0.21 -3.22 -0.10 0.00 0.04 0.00 0.00 34.50 31.00 2wtn s PRO 130 CO 0.89 -0.61 2.53 0.00 0.04 0.00 0.00 177.00 179.86 2wtn n ALA 131 N 4.20 5.53 0.48 8.56 0.00 -0.42 -4.68 120.51 134.18 2wtn n ALA 131 Ca 0.14 -2.20 0.12 0.00 0.00 0.00 0.00 53.44 51.49 2wtn n ALA 131 Cb 0.39 -2.89 0.46 0.00 0.00 0.00 0.00 19.45 17.41 2wtn n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wtn n ALA 132 N 3.58 1.81 1.43 0.00 0.00 -1.26 -2.29 120.51 123.78 2wtn n ALA 132 Ca 0.50 0.04 0.14 0.00 0.00 0.00 0.00 53.44 54.11 2wtn n ALA 132 Cb 0.31 -1.39 0.47 0.00 0.00 0.00 0.00 19.45 18.84 2wtn n ALA 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wtn n MET 133 N -2.12 1.75 -0.05 0.00 2.81 -1.26 -4.45 117.12 113.80 2wtn n MET 133 Ca 0.03 -1.09 -0.10 0.00 -1.81 0.00 0.00 57.70 54.73 2wtn n MET 133 Cb 0.27 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 2wtn n MET 133 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2wtn h ILE 134 N 2.66 0.20 -0.55 2.02 2.04 -1.86 -0.38 117.51 121.63 2wtn h ILE 134 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2wtn h ILE 134 Cb 0.56 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2wtn h ILE 134 CO 0.00 0.00 0.22 -0.65 0.00 0.00 0.00 178.15 177.72 2wtn h PRO 135 N -0.38 0.40 -0.43 2.37 0.11 -1.78 0.23 132.00 132.52 2wtn h PRO 135 Ca 0.11 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 2wtn h PRO 135 Cb 0.58 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 2wtn h PRO 135 CO -0.44 0.26 -0.22 1.49 -0.21 0.00 0.00 178.00 178.88 2wtn h GLU 136 N 0.41 0.91 -0.11 1.05 4.57 -1.70 -1.25 114.58 118.47 2wtn h GLU 136 Ca 0.27 -0.40 -0.14 0.00 -1.18 0.00 0.00 59.36 57.91 2wtn h GLU 136 Cb 0.28 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2wtn h GLU 136 CO -0.25 1.05 -0.53 0.82 -1.18 0.00 0.00 179.01 178.92 2wtn h ILE 137 N 0.73 1.35 -0.46 2.32 2.04 -1.02 -2.19 117.51 120.28 2wtn h ILE 137 Ca 0.09 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 64.17 2wtn h ILE 137 Cb 0.79 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 2wtn h ILE 137 CO 0.06 0.54 0.27 0.00 0.00 0.00 0.00 178.15 179.02 2wtn h ALA 138 N 1.20 0.59 0.00 1.87 0.00 -0.53 0.63 119.26 123.02 2wtn h ALA 138 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2wtn h ALA 138 Cb 1.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2wtn h ALA 138 CO 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.26 2wtn h ARG 139 N 0.54 0.00 -0.02 0.00 3.08 -0.67 -2.78 114.38 114.52 2wtn h ARG 139 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2wtn h ARG 139 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2wtn h ARG 139 CO -0.10 0.02 -0.33 0.25 -1.07 0.00 0.00 179.97 178.75 2wtn n THR 140 N -3.47 0.00 0.00 2.04 -2.24 -0.23 -4.79 114.28 105.59 2wtn n THR 140 Ca -0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2wtn n THR 140 Cb 0.12 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2wtn n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtn n GLY 141 N 1.33 1.14 3.30 3.38 0.00 0.05 -4.81 105.19 109.58 2wtn n GLY 141 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2wtn n GLY 141 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wtn s GLU 142 N -0.13 0.85 -0.20 1.61 2.12 -0.75 -1.73 118.70 120.47 2wtn s GLU 142 Ca 0.00 -0.33 -0.04 0.00 0.36 0.00 0.00 54.97 54.96 2wtn s GLU 142 Cb 0.00 0.38 0.10 0.00 0.26 0.00 0.00 34.13 34.86 2wtn s GLU 142 CO 0.00 -0.27 0.24 -1.17 -0.54 0.00 0.00 175.26 173.52 2wtn s LEU 143 N -1.84 -0.18 -1.29 2.70 2.96 0.13 -3.06 118.68 118.10 2wtn s LEU 143 Ca -0.07 -0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 53.60 2wtn s LEU 143 Cb -0.02 0.48 0.00 0.00 0.50 0.00 0.00 46.19 47.16 2wtn s LEU 143 CO -0.01 -0.32 0.56 0.18 -1.32 0.00 0.00 176.35 175.45 2wtn n LEU 144 N 5.33 -2.12 0.00 -0.68 4.77 -1.26 -1.14 117.00 121.90 2wtn n LEU 144 Ca -0.05 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 2wtn n LEU 144 Cb 0.50 -2.17 0.00 0.00 -2.33 0.00 0.00 43.42 39.41 2wtn n LEU 144 CO 0.08 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2wtn n GLY 145 N -1.92 3.28 3.72 -0.72 0.00 -1.26 -5.00 105.19 103.29 2wtn n GLY 145 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2wtn n GLY 145 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wtn s LEU 146 N 0.00 4.22 0.20 0.99 2.96 -0.29 -5.07 118.68 121.70 2wtn s LEU 146 Ca 0.00 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 2wtn s LEU 146 Cb 0.00 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 2wtn s LEU 146 CO 0.00 0.11 0.33 -0.54 -1.32 0.00 0.00 176.35 174.93 2wtn s LYS 147 N 0.51 3.43 0.03 1.98 1.02 -1.26 0.20 119.74 125.66 2wtn s LYS 147 Ca 0.14 -0.70 -0.28 0.00 0.02 0.00 0.00 55.97 55.15 2wtn s LYS 147 Cb -0.13 -2.92 0.09 0.00 -0.52 0.00 0.00 37.83 34.36 2wtn s LYS 147 CO 0.03 0.47 0.99 -0.59 -0.92 0.00 0.00 175.35 175.32 2wtn s PHE 148 N -1.89 -0.22 -0.22 3.18 -0.71 -0.71 -4.96 117.98 112.46 2wtn s PHE 148 Ca 0.34 0.03 -0.29 0.00 -1.04 0.00 0.00 56.93 55.97 2wtn s PHE 148 Cb -0.10 0.57 -0.01 0.00 -1.21 0.00 0.00 43.02 42.28 2wtn s PHE 148 CO 0.29 -0.59 1.28 0.34 -1.34 0.00 0.00 175.22 175.20 2wtn s ASP 149 N -2.67 6.83 0.00 1.98 -1.08 -1.26 -4.39 116.67 116.08 2wtn s ASP 149 Ca 0.09 1.49 0.19 0.00 -0.52 0.00 0.00 52.55 53.81 2wtn s ASP 149 Cb -0.01 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.85 2wtn s ASP 149 CO -0.04 -0.90 1.61 -0.81 0.52 0.00 0.00 175.17 175.56 2wtn n PRO 150 N 6.91 0.19 -0.00 4.34 -0.04 -1.26 -1.81 135.00 143.32 2wtn n PRO 150 Ca 0.14 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 2wtn n PRO 150 Cb 0.46 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 2wtn n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wtn n GLU 151 N -1.36 1.62 -3.39 0.54 -0.58 -1.26 -4.64 120.64 111.57 2wtn n GLU 151 Ca 0.08 -0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 56.55 2wtn n GLU 151 Cb 0.18 -1.27 -0.09 0.00 -0.57 0.00 0.00 31.44 29.69 2wtn n GLU 151 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2wtn n ASN 152 N -1.42 0.57 -4.74 1.62 4.13 -0.75 -5.12 115.26 109.56 2wtn n ASN 152 Ca 0.03 -2.69 -0.41 0.00 1.68 0.00 0.00 54.58 53.19 2wtn n ASN 152 Cb 0.26 -0.62 -0.03 0.00 -1.54 0.00 0.00 39.78 37.85 2wtn n ASN 152 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wtn s ILE 153 N -0.79 3.44 0.74 2.41 1.01 -1.16 -4.40 121.20 122.46 2wtn s ILE 153 Ca 0.33 1.20 -0.11 0.00 0.00 0.00 0.00 60.65 62.08 2wtn s ILE 153 Cb 0.08 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.82 2wtn s ILE 153 CO -0.15 0.19 1.08 -2.16 0.00 0.00 0.00 174.94 173.90 2wtn s PRO 154 N -0.18 2.51 0.30 2.79 0.04 -1.26 -4.92 135.00 134.27 2wtn s PRO 154 Ca 0.54 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2wtn s PRO 154 Cb -0.34 -1.93 0.46 0.00 0.04 0.00 0.00 34.50 32.72 2wtn s PRO 154 CO 0.37 -1.43 1.84 -0.44 0.04 0.00 0.00 177.00 177.38 2wtn h ASP 155 N -0.97 0.69 -4.13 6.66 3.32 -1.94 -3.22 116.42 116.84 2wtn h ASP 155 Ca -0.44 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.33 2wtn h ASP 155 Cb 1.23 -0.18 -0.24 0.00 0.22 0.00 0.00 39.33 40.35 2wtn h ASP 155 CO 0.54 0.70 -0.42 -0.70 -1.72 0.00 0.00 179.24 177.64 2wtn s GLU 156 N -5.14 0.36 -0.09 3.56 2.12 -1.26 -1.39 118.70 116.86 2wtn s GLU 156 Ca -0.09 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.44 2wtn s GLU 156 Cb 0.15 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.70 2wtn s GLU 156 CO 0.79 -0.06 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.73 2wtn s LEU 157 N -0.27 2.28 -0.21 2.70 2.01 0.33 -4.93 118.68 120.59 2wtn s LEU 157 Ca -0.04 -0.47 0.02 0.00 0.01 0.00 0.00 54.13 53.65 2wtn s LEU 157 Cb -0.03 -1.46 0.04 0.00 0.01 0.00 0.00 46.19 44.75 2wtn s LEU 157 CO 0.01 0.19 -0.16 -1.81 1.01 0.00 0.00 176.35 175.59 2wtn s ASP 158 N 0.15 3.69 0.00 2.29 1.01 -1.26 -0.79 116.67 121.76 2wtn s ASP 158 Ca -0.11 -0.97 0.00 0.00 0.71 0.00 0.00 52.55 52.18 2wtn s ASP 158 Cb -0.16 -1.51 0.00 0.00 1.01 0.00 0.00 42.92 42.26 2wtn s ASP 158 CO 0.06 -0.08 0.00 0.00 0.21 0.00 0.00 175.17 175.36 2wtn n ALA 159 N 4.54 0.00 -3.75 5.23 0.00 -1.04 -5.02 120.51 120.46 2wtn n ALA 159 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 2wtn n ALA 159 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 2wtn n ALA 159 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wtn n TRP 160 N 0.00 -2.08 -2.83 0.00 8.01 -1.26 -2.17 117.44 117.11 2wtn n TRP 160 Ca 0.00 0.87 -0.11 0.00 -1.31 0.00 0.00 57.50 56.95 2wtn n TRP 160 Cb 0.00 -4.32 0.05 0.00 -2.01 0.00 0.00 31.31 25.04 2wtn n TRP 160 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2wtn n ASP 161 N -2.99 -3.94 0.00 -0.99 4.64 -1.26 -3.59 116.55 108.42 2wtn n ASP 161 Ca -0.18 -0.47 0.00 0.00 -1.38 0.00 0.00 54.79 52.76 2wtn n ASP 161 Cb 0.63 -3.76 0.00 0.00 -1.04 0.00 0.00 41.12 36.95 2wtn n ASP 161 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2wtn n GLY 162 N -1.22 0.76 3.92 0.27 0.00 -1.20 -5.07 105.19 102.65 2wtn n GLY 162 Ca -0.11 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 2wtn n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wtn s ARG 163 N -0.64 3.56 0.18 1.61 0.52 -0.92 -5.00 118.95 118.27 2wtn s ARG 163 Ca 0.00 -0.18 0.10 0.00 -0.52 0.00 0.00 55.73 55.13 2wtn s ARG 163 Cb 0.00 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 2wtn s ARG 163 CO 0.00 0.25 -0.21 0.15 0.02 0.00 0.00 175.30 175.51 2wtn s LYS 164 N -3.67 1.41 -0.12 3.54 1.02 -1.26 -2.50 119.74 118.15 2wtn s LYS 164 Ca 0.41 -1.48 -0.05 0.00 0.02 0.00 0.00 55.97 54.88 2wtn s LYS 164 Cb -0.10 -1.60 0.06 0.00 -0.52 0.00 0.00 37.83 35.66 2wtn s LYS 164 CO 0.31 0.34 0.26 -1.17 -0.92 0.00 0.00 175.35 174.17 2wtn s LEU 165 N -2.69 -0.16 0.50 3.17 2.96 0.03 -3.35 118.68 119.13 2wtn s LEU 165 Ca 0.19 0.58 -0.23 0.00 -0.22 0.00 0.00 54.13 54.45 2wtn s LEU 165 Cb -0.07 0.70 -0.06 0.00 0.50 0.00 0.00 46.19 47.26 2wtn s LEU 165 CO 0.08 -0.23 1.26 -0.54 -1.32 0.00 0.00 176.35 175.61 2wtn s LYS 166 N 2.19 3.49 0.66 1.98 1.02 -0.74 -0.52 119.74 127.83 2wtn s LYS 166 Ca -0.01 2.00 0.41 0.00 0.02 0.00 0.00 55.97 58.39 2wtn s LYS 166 Cb -0.12 -2.36 2.24 0.00 -0.52 0.00 0.00 37.83 37.08 2wtn s LYS 166 CO -0.08 -0.83 2.28 0.78 -0.92 0.00 0.00 175.35 176.57 2wtn h GLY 167 N 1.82 0.00 0.68 -3.33 0.00 -1.24 -2.01 103.07 98.99 2wtn h GLY 167 Ca -0.50 0.00 0.11 0.00 0.00 0.00 0.00 47.33 46.94 2wtn h GLY 167 CO 0.59 0.00 0.57 3.43 0.00 0.00 0.00 176.54 181.13 2wtn h ASN 168 N 0.00 0.75 -0.76 0.19 2.35 -1.85 -0.27 115.58 115.98 2wtn h ASN 168 Ca 0.00 0.03 0.18 0.00 -0.55 0.00 0.00 56.30 55.96 2wtn h ASN 168 Cb 0.14 -0.12 -0.12 0.00 0.05 0.00 0.00 38.32 38.26 2wtn h ASN 168 CO -0.00 0.42 0.14 0.22 -1.65 0.00 0.00 177.43 176.56 2wtn h TYR 169 N 0.81 0.20 -0.09 1.19 3.20 -1.58 -1.24 116.97 119.47 2wtn h TYR 169 Ca 0.42 0.05 -0.10 0.00 3.14 0.00 0.00 58.73 62.23 2wtn h TYR 169 Cb 0.50 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.81 2wtn h TYR 169 CO -0.00 -0.15 -0.35 0.28 -1.64 0.00 0.00 178.16 176.30 2wtn h VAL 170 N 0.21 1.40 -0.85 1.81 2.07 -1.30 -0.44 116.25 119.16 2wtn h VAL 170 Ca 0.44 -1.71 0.11 0.00 0.82 0.00 0.00 66.70 66.36 2wtn h VAL 170 Cb 0.78 2.24 -0.08 0.00 -1.52 0.00 0.00 31.29 32.71 2wtn h VAL 170 CO -0.58 0.50 0.48 0.03 0.02 0.00 0.00 177.57 178.02 2wtn h ARG 171 N -0.06 0.73 0.24 1.57 3.08 -0.97 -1.92 114.38 117.05 2wtn h ARG 171 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2wtn h ARG 171 Cb 0.99 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2wtn h ARG 171 CO 0.07 0.49 -0.12 0.28 -1.07 0.00 0.00 179.97 179.62 2wtn h VAL 172 N 0.76 0.77 -0.87 2.04 2.07 -1.21 -3.35 116.25 116.45 2wtn h VAL 172 Ca 0.43 -0.80 0.14 0.00 0.82 0.00 0.00 66.70 67.29 2wtn h VAL 172 Cb 0.47 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 2wtn h VAL 172 CO -0.29 0.16 0.56 0.00 0.02 0.00 0.00 177.57 178.03 2wtn h ALA 173 N -0.22 1.84 0.00 1.67 0.00 -0.78 -1.57 119.26 120.20 2wtn h ALA 173 Ca -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wtn h ALA 173 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wtn h ALA 173 CO 0.05 -0.07 -0.01 1.96 0.00 0.00 0.00 179.25 181.18 2wtn h GLN 174 N 0.68 0.00 0.00 0.00 4.20 -1.49 -2.50 115.11 116.00 2wtn h GLN 174 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 2wtn h GLN 174 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2wtn h GLN 174 CO -0.19 0.01 -0.29 0.25 -0.67 0.00 0.00 178.83 177.93 2wtn n THR 175 N -3.62 0.37 -2.99 -0.54 -2.24 -0.59 -4.84 114.28 99.83 2wtn n THR 175 Ca -0.03 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 2wtn n THR 175 Cb 0.10 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 2wtn n THR 175 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wtn s ILE 176 N -3.10 4.88 -0.80 2.28 1.01 -0.94 -4.99 121.20 119.53 2wtn s ILE 176 Ca 0.09 1.27 -0.17 0.00 0.00 0.00 0.00 60.65 61.85 2wtn s ILE 176 Cb 0.14 -4.06 0.16 0.00 0.01 0.00 0.00 42.46 38.71 2wtn s ILE 176 CO 0.65 -0.09 0.87 -0.13 0.00 0.00 0.00 174.94 176.24 2wtn s ARG 177 N 2.75 3.45 0.38 2.79 0.52 -1.26 -4.73 118.95 122.85 2wtn s ARG 177 Ca 0.31 -1.92 0.05 0.00 -0.52 0.00 0.00 55.73 53.65 2wtn s ARG 177 Cb -0.15 -4.56 0.75 0.00 0.52 0.00 0.00 34.95 31.51 2wtn s ARG 177 CO 0.09 -1.52 2.03 0.28 0.02 0.00 0.00 175.30 176.20 2wtn h VAL 178 N 5.45 1.12 -0.46 3.52 2.07 -1.94 -2.38 116.25 123.64 2wtn h VAL 178 Ca 0.02 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2wtn h VAL 178 Cb 1.05 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2wtn h VAL 178 CO 0.97 0.13 0.25 -0.33 0.02 0.00 0.00 177.57 178.61 2wtn h GLU 179 N 0.71 0.62 -0.90 1.57 3.07 -1.95 -1.35 114.58 116.36 2wtn h GLU 179 Ca 0.20 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 59.02 2wtn h GLU 179 Cb -0.05 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.68 2wtn h GLU 179 CO -0.05 0.46 0.59 -0.44 -1.40 0.00 0.00 179.01 178.18 2wtn h ASP 180 N 0.63 1.02 -0.10 1.42 5.19 -1.86 -1.58 116.42 121.15 2wtn h ASP 180 Ca 0.16 -0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.38 2wtn h ASP 180 Cb 0.01 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.27 2wtn h ASP 180 CO -0.03 0.74 -0.55 -0.26 -3.12 0.00 0.00 179.24 176.02 2wtn h PHE 181 N 1.21 0.86 -0.16 4.55 0.04 -1.38 -2.26 116.94 119.79 2wtn h PHE 181 Ca 0.33 -0.31 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2wtn h PHE 181 Cb -0.13 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 2wtn h PHE 181 CO -0.00 1.08 0.06 0.28 -0.60 0.00 0.00 178.31 179.12 2wtn h VAL 182 N 0.53 1.17 0.00 -0.55 2.07 -1.06 -2.74 116.25 115.68 2wtn h VAL 182 Ca 0.01 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2wtn h VAL 182 Cb 1.12 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2wtn h VAL 182 CO 0.11 0.16 -0.06 0.44 0.02 0.00 0.00 177.57 178.25 2wtn h ASP 183 N 0.09 0.00 1.19 0.57 3.45 -1.22 -2.73 116.42 117.77 2wtn h ASP 183 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 2wtn h ASP 183 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 2wtn h ASP 183 CO -0.00 0.06 -0.10 0.29 -1.57 0.00 0.00 179.24 177.92 2wtn n LYS 184 N -4.47 0.16 -3.70 3.56 4.76 -0.86 -4.65 118.16 112.97 2wtn n LYS 184 Ca -0.03 0.12 -0.38 0.00 -2.87 0.00 0.00 58.31 55.14 2wtn n LYS 184 Cb 0.14 -1.67 -0.11 0.00 -1.84 0.00 0.00 35.03 31.55 2wtn n LYS 184 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2wtn s TYR 185 N -3.07 3.40 -2.22 2.13 5.04 -1.03 -4.91 117.35 116.70 2wtn s TYR 185 Ca 0.11 -1.85 0.20 0.00 -2.44 0.00 0.00 57.07 53.10 2wtn s TYR 185 Cb 0.15 -2.93 0.09 0.00 0.35 0.00 0.00 41.96 39.62 2wtn s TYR 185 CO 0.59 -0.88 1.07 0.25 -1.34 0.00 0.00 175.55 175.24 2wtn n THR 186 N 4.78 0.00 -1.80 4.34 -2.24 -1.26 -4.56 114.28 113.54 2wtn n THR 186 Ca -0.08 -0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 2wtn n THR 186 Cb 0.42 1.34 0.17 0.00 -2.10 0.00 0.00 70.33 70.16 2wtn n THR 186 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wtn s LYS 187 N -1.92 0.79 0.23 -0.78 1.02 -1.26 -4.35 119.74 113.47 2wtn s LYS 187 Ca 0.20 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 2wtn s LYS 187 Cb 0.16 -1.84 -0.09 0.00 -0.52 0.00 0.00 37.83 35.54 2wtn s LYS 187 CO 0.36 -2.35 1.33 -2.14 -0.92 0.00 0.00 175.35 171.63 2wtn s PRO 188 N -5.71 4.37 -0.11 -1.68 0.02 -1.26 -4.47 135.00 126.16 2wtn s PRO 188 Ca 0.70 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.86 2wtn s PRO 188 Cb -0.07 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.31 2wtn s PRO 188 CO 0.52 -0.26 -0.16 0.08 -0.33 0.00 0.00 177.00 176.85 2wtn s VAL 189 N -0.15 1.54 -0.36 3.83 1.01 -0.15 -1.44 120.40 124.68 2wtn s VAL 189 Ca 0.56 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 2wtn s VAL 189 Cb -0.38 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.62 2wtn s VAL 189 CO 0.42 0.45 0.19 -0.22 0.00 0.00 0.00 175.10 175.94 2wtn s LEU 190 N 0.89 4.56 -0.12 3.92 2.96 -0.48 -0.03 118.68 130.38 2wtn s LEU 190 Ca -0.08 -0.86 -0.18 0.00 -0.22 0.00 0.00 54.13 52.78 2wtn s LEU 190 Cb -0.15 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2wtn s LEU 190 CO -0.00 -0.33 0.48 -0.63 -1.32 0.00 0.00 176.35 174.54 2wtn s ILE 191 N 1.57 5.19 -0.09 6.68 1.01 -0.30 -2.88 121.20 132.38 2wtn s ILE 191 Ca 0.03 0.95 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 2wtn s ILE 191 Cb -0.19 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2wtn s ILE 191 CO 0.07 0.32 -0.05 -0.69 0.00 0.00 0.00 174.94 174.58 2wtn s VAL 192 N 0.67 3.83 -0.27 2.92 1.01 -0.93 -1.10 120.40 126.52 2wtn s VAL 192 Ca 0.26 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 2wtn s VAL 192 Cb -0.15 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.71 2wtn s VAL 192 CO 0.10 0.57 0.67 -2.28 0.00 0.00 0.00 175.10 174.17 2wtn s HIS 193 N -0.51 -1.05 0.22 5.22 5.04 -0.92 -0.17 115.29 123.12 2wtn s HIS 193 Ca 0.08 2.09 -0.30 0.00 -1.54 0.00 0.00 55.06 55.39 2wtn s HIS 193 Cb -0.12 0.62 -0.08 0.00 0.04 0.00 0.00 32.58 33.04 2wtn s HIS 193 CO 0.02 -0.52 1.03 0.20 -2.34 0.00 0.00 174.74 173.13 2wtn s GLY 194 N 1.66 3.01 0.00 1.59 0.00 -1.26 -1.81 107.32 110.51 2wtn s GLY 194 Ca -0.10 0.75 0.15 0.00 0.00 0.00 0.00 44.72 45.52 2wtn s GLY 194 CO -0.20 1.45 1.38 2.09 0.00 0.00 0.00 173.10 177.82 2wtn n ASP 195 N 1.83 1.88 -2.09 1.64 5.68 -1.03 -2.89 116.55 121.57 2wtn n ASP 195 Ca 0.00 -1.89 -0.26 0.00 -0.50 0.00 0.00 54.79 52.14 2wtn n ASP 195 Cb 0.46 -0.19 0.03 0.00 -1.14 0.00 0.00 41.12 40.28 2wtn n ASP 195 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wtn n GLN 196 N 0.50 3.42 -2.33 0.11 1.13 0.36 -4.85 117.38 115.71 2wtn n GLN 196 Ca 0.14 -3.99 -0.42 0.00 -1.94 0.00 0.00 57.00 50.79 2wtn n GLN 196 Cb 0.32 -2.28 -0.03 0.00 0.11 0.00 0.00 30.24 28.36 2wtn n GLN 196 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2wtn s ASP 197 N -3.22 6.92 0.00 1.08 -1.08 -1.03 -4.22 116.67 115.13 2wtn s ASP 197 Ca 0.54 1.92 0.22 0.00 -0.52 0.00 0.00 52.55 54.71 2wtn s ASP 197 Cb 0.43 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 39.29 2wtn s ASP 197 CO 0.02 -0.71 1.04 -0.62 0.52 0.00 0.00 175.17 175.43 2wtn n GLU 198 N 5.82 0.66 -0.12 4.34 1.02 -1.26 -4.51 120.64 126.60 2wtn n GLU 198 Ca 0.13 -0.54 -0.25 0.00 -0.02 0.00 0.00 57.16 56.48 2wtn n GLU 198 Cb 0.45 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 2wtn n GLU 198 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wtn n ALA 199 N -0.70 1.14 -3.65 0.62 0.00 -1.26 -4.91 120.51 111.75 2wtn n ALA 199 Ca 0.07 -0.93 -0.28 0.00 0.00 0.00 0.00 53.44 52.30 2wtn n ALA 199 Cb 0.40 -0.13 -0.17 0.00 0.00 0.00 0.00 19.45 19.55 2wtn n ALA 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wtn s VAL 200 N -2.49 1.39 0.07 0.00 1.01 -1.26 -4.98 120.40 114.15 2wtn s VAL 200 Ca -0.34 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 2wtn s VAL 200 Cb 0.11 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 2wtn s VAL 200 CO 0.56 0.42 1.23 -2.16 0.00 0.00 0.00 175.10 175.15 2wtn s PRO 201 N 1.01 4.41 0.30 2.72 0.04 -1.26 -4.72 135.00 137.50 2wtn s PRO 201 Ca -0.07 1.83 0.05 0.00 0.04 0.00 0.00 61.00 62.85 2wtn s PRO 201 Cb -0.15 -3.33 0.76 0.00 0.04 0.00 0.00 34.50 31.83 2wtn s PRO 201 CO -0.01 -0.29 1.69 -0.92 0.04 0.00 0.00 177.00 177.51 2wtn h TYR 202 N 6.77 0.65 0.00 0.56 3.20 -1.83 -2.55 116.97 123.77 2wtn h TYR 202 Ca -0.42 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 2wtn h TYR 202 Cb 1.21 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 2wtn h TYR 202 CO 0.67 -0.07 -0.10 1.05 -1.64 0.00 0.00 178.16 178.06 2wtn h GLU 203 N 0.38 0.00 -0.12 1.82 9.09 -1.95 -1.32 114.58 122.48 2wtn h GLU 203 Ca 0.58 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.82 2wtn h GLU 203 Cb 1.12 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.22 2wtn h GLU 203 CO -0.55 0.10 -0.63 0.00 0.05 0.00 0.00 179.01 177.99 2wtn h ALA 204 N 1.90 0.70 -0.03 1.06 0.00 -1.86 -1.44 119.26 119.59 2wtn h ALA 204 Ca -0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 2wtn h ALA 204 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2wtn h ALA 204 CO 0.01 0.72 -0.42 0.77 0.00 0.00 0.00 179.25 180.34 2wtn h SER 205 N 0.31 0.06 -0.07 0.00 0.02 -1.35 0.12 113.55 112.63 2wtn h SER 205 Ca -0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2wtn h SER 205 Cb 1.17 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 2wtn h SER 205 CO 0.11 0.48 -0.01 0.58 -1.14 0.00 0.00 176.83 176.84 2wtn h VAL 206 N 0.05 1.28 -0.49 2.27 2.07 -1.32 -0.71 116.25 119.41 2wtn h VAL 206 Ca 0.00 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.66 2wtn h VAL 206 Cb 0.77 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 2wtn h VAL 206 CO 0.06 0.25 0.27 0.00 0.02 0.00 0.00 177.57 178.16 2wtn h ALA 207 N 0.68 0.62 -0.49 1.67 0.00 -0.99 -2.78 119.26 117.97 2wtn h ALA 207 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2wtn h ALA 207 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2wtn h ALA 207 CO 0.01 -0.05 -0.10 0.74 0.00 0.00 0.00 179.25 179.85 2wtn h PHE 208 N 0.54 0.98 -0.41 0.00 0.04 -0.72 -2.64 116.94 114.72 2wtn h PHE 208 Ca 0.20 -0.18 0.08 0.00 2.80 0.00 0.00 57.97 60.87 2wtn h PHE 208 Cb 0.07 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 2wtn h PHE 208 CO -0.08 0.93 0.29 0.66 -0.60 0.00 0.00 178.31 179.51 2wtn h SER 209 N 0.80 0.16 0.83 2.17 4.64 -1.03 -0.82 113.55 120.30 2wtn h SER 209 Ca 0.13 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.25 2wtn h SER 209 Cb 0.61 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2wtn h SER 209 CO 0.04 0.10 -1.27 0.11 -0.87 0.00 0.00 176.83 174.94 2wtn h LYS 210 N 0.18 0.00 -0.26 4.77 1.57 -1.30 -3.34 116.57 118.19 2wtn h LYS 210 Ca 0.19 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.78 2wtn h LYS 210 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2wtn h LYS 210 CO -0.03 0.56 -0.57 0.37 -0.57 0.00 0.00 179.45 179.21 2wtn h GLN 211 N 0.00 0.83 -6.85 3.15 4.15 -1.00 -3.44 115.11 111.94 2wtn h GLN 211 Ca -0.14 -0.54 -0.56 0.00 0.77 0.00 0.00 58.65 58.18 2wtn h GLN 211 Cb 1.74 0.07 0.13 0.00 0.21 0.00 0.00 27.48 29.63 2wtn h GLN 211 CO 0.08 1.17 0.48 0.66 -1.93 0.00 0.00 178.83 179.29 2wtn n TYR 212 N -3.99 2.08 -0.08 3.99 4.01 -0.39 -4.85 117.16 117.94 2wtn n TYR 212 Ca -0.04 0.49 -0.11 0.00 -0.16 0.00 0.00 57.90 58.08 2wtn n TYR 212 Cb 0.64 -2.36 -0.04 0.00 -0.31 0.00 0.00 39.34 37.26 2wtn n TYR 212 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2wtn h LYS 213 N 1.95 0.39 -2.41 -0.72 1.63 -1.86 -3.39 116.57 112.17 2wtn h LYS 213 Ca -0.48 -0.10 -0.59 0.00 -0.85 0.00 0.00 60.65 58.63 2wtn h LYS 213 Cb 1.30 -0.05 -0.39 0.00 -0.60 0.00 0.00 32.23 32.49 2wtn h LYS 213 CO 0.59 0.52 -0.89 -1.71 -3.45 0.00 0.00 179.45 174.51 2wtn n ASN 214 N -4.71 0.76 -4.22 4.20 5.15 -1.26 -5.09 115.26 110.09 2wtn n ASN 214 Ca -0.03 -2.71 -0.32 0.00 -0.60 0.00 0.00 54.58 50.91 2wtn n ASN 214 Cb 0.19 -0.62 -0.17 0.00 -0.53 0.00 0.00 39.78 38.66 2wtn n ASN 214 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wtn s LYS 216 N 0.47 4.01 -0.38 0.00 2.20 0.96 -4.89 119.74 122.11 2wtn s LYS 216 Ca -0.15 -0.00 -0.21 0.00 -0.36 0.00 0.00 55.97 55.25 2wtn s LYS 216 Cb -0.17 -3.65 0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2wtn s LYS 216 CO 0.06 -0.25 0.67 -1.17 -0.36 0.00 0.00 175.35 174.30 2wtn s LEU 217 N 2.00 4.29 -0.30 5.43 2.96 -1.26 -1.15 118.68 130.64 2wtn s LEU 217 Ca 0.14 0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 53.95 2wtn s LEU 217 Cb -0.16 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 2wtn s LEU 217 CO 0.10 -0.68 0.39 -0.69 -1.32 0.00 0.00 176.35 174.15 2wtn s VAL 218 N 2.84 5.15 0.09 1.68 1.01 -0.26 -5.02 120.40 125.89 2wtn s VAL 218 Ca 0.25 0.39 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 2wtn s VAL 218 Cb -0.14 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2wtn s VAL 218 CO 0.17 0.03 0.65 -0.89 0.00 0.00 0.00 175.10 175.06 2wtn s THR 219 N 2.11 4.65 -0.50 3.92 2.01 -1.26 -2.16 115.64 124.40 2wtn s THR 219 Ca 0.15 1.40 -0.12 0.00 0.31 0.00 0.00 61.69 63.42 2wtn s THR 219 Cb -0.16 -3.99 0.12 0.00 0.01 0.00 0.00 72.50 68.48 2wtn s THR 219 CO 0.11 0.51 0.42 -0.63 -0.69 0.00 0.00 174.62 174.34 2wtn s ILE 220 N -0.92 4.68 0.09 1.82 -1.09 -0.75 -4.95 121.20 120.08 2wtn s ILE 220 Ca 0.32 -1.65 -0.31 0.00 -2.23 0.00 0.00 60.65 56.77 2wtn s ILE 220 Cb -0.21 -4.04 -0.10 0.00 -1.58 0.00 0.00 42.46 36.53 2wtn s ILE 220 CO 0.21 -0.82 1.88 -0.81 -1.23 0.00 0.00 174.94 174.17 2wtn n PRO 221 N 5.07 2.76 -0.99 2.79 -0.04 -1.26 -2.23 135.00 141.10 2wtn n PRO 221 Ca -0.11 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2wtn n PRO 221 Cb 0.40 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 2wtn n PRO 221 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wtn n GLY 222 N 4.32 0.79 4.01 0.55 0.00 -1.26 -4.90 105.19 108.70 2wtn n GLY 222 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 2wtn n GLY 222 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wtn s ASP 223 N -2.63 5.68 0.56 1.61 -1.08 -0.95 -4.48 116.67 115.39 2wtn s ASP 223 Ca 0.00 -0.39 0.07 0.00 -0.52 0.00 0.00 52.55 51.71 2wtn s ASP 223 Cb 0.00 -0.72 0.06 0.00 -1.46 0.00 0.00 42.92 40.80 2wtn s ASP 223 CO 0.00 -0.74 0.57 0.42 0.52 0.00 0.00 175.17 175.94 2wtn s THR 224 N -2.34 1.80 0.19 1.71 -4.23 -1.26 -0.49 115.64 111.02 2wtn s THR 224 Ca 0.54 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.63 2wtn s THR 224 Cb -0.10 -2.10 0.11 0.00 1.34 0.00 0.00 72.50 71.75 2wtn s THR 224 CO 0.33 0.00 1.85 -0.74 -0.54 0.00 0.00 174.62 175.52 2wtn h HIS 225 N 0.50 0.77 -0.47 3.99 -0.00 -1.92 -1.58 115.15 116.44 2wtn h HIS 225 Ca -0.34 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2wtn h HIS 225 Cb 1.30 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 2wtn h HIS 225 CO 0.78 0.47 0.00 0.00 -0.00 0.00 0.00 177.93 179.18 2wtn n TYR 227 N 0.27 -1.87 0.24 0.00 4.01 -0.59 -4.80 117.16 114.41 2wtn n TYR 227 Ca 0.25 0.66 -0.15 0.00 -0.16 0.00 0.00 57.90 58.50 2wtn n TYR 227 Cb 1.04 -3.79 -0.08 0.00 -0.31 0.00 0.00 39.34 36.20 2wtn n TYR 227 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2wtn h ASP 228 N -0.87 -0.49 -0.06 7.72 3.32 -1.95 -3.32 116.42 120.77 2wtn h ASP 228 Ca -0.47 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.37 2wtn h ASP 228 Cb 1.24 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 2wtn h ASP 228 CO 0.34 -0.28 -0.59 0.45 -1.72 0.00 0.00 179.24 177.45 2wtn h HIS 229 N -0.68 0.84 -1.22 4.55 3.86 -1.93 -3.42 115.15 117.15 2wtn h HIS 229 Ca -0.06 -0.31 -0.38 0.00 -1.16 0.00 0.00 60.37 58.45 2wtn h HIS 229 Cb 0.50 -0.15 -0.34 0.00 1.06 0.00 0.00 27.41 28.47 2wtn h HIS 229 CO -0.02 1.09 -1.02 0.72 0.86 0.00 0.00 177.93 179.55 2wtn n HIS 230 N -3.96 -0.15 0.26 2.45 8.25 -1.26 -4.91 115.22 115.90 2wtn n HIS 230 Ca -0.04 -3.08 0.11 0.00 -0.26 0.00 0.00 57.72 54.45 2wtn n HIS 230 Cb 0.63 0.05 0.69 0.00 1.12 0.00 0.00 29.99 32.49 2wtn n HIS 230 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wtn h LEU 231 N 2.90 0.00 -1.16 2.41 5.85 -1.82 -1.79 115.31 121.71 2wtn h LEU 231 Ca -0.03 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2wtn h LEU 231 Cb 1.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2wtn h LEU 231 CO 0.40 0.12 -0.20 1.05 -0.34 0.00 0.00 178.44 179.47 2wtn h GLU 232 N 0.00 0.34 0.00 1.25 9.09 -1.93 -0.76 114.58 122.58 2wtn h GLU 232 Ca -0.00 -0.11 -0.04 0.00 0.05 0.00 0.00 59.36 59.26 2wtn h GLU 232 Cb 0.28 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 2wtn h GLU 232 CO 0.02 0.54 -0.20 -0.07 0.05 0.00 0.00 179.01 179.34 2wtn h LEU 233 N 0.32 0.00 0.00 3.06 3.38 -1.73 -0.60 115.31 119.73 2wtn h LEU 233 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wtn h LEU 233 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2wtn h LEU 233 CO 0.04 0.20 -0.00 0.58 0.09 0.00 0.00 178.44 179.35 2wtn h VAL 234 N 0.00 1.63 -0.69 1.22 2.07 -1.33 -2.17 116.25 116.97 2wtn h VAL 234 Ca -0.00 -2.20 0.07 0.00 0.82 0.00 0.00 66.70 65.39 2wtn h VAL 234 Cb 0.50 3.06 -0.04 0.00 -1.52 0.00 0.00 31.29 33.29 2wtn h VAL 234 CO 0.03 0.55 0.46 0.71 0.02 0.00 0.00 177.57 179.33 2wtn h THR 235 N -0.99 0.99 0.49 2.57 1.35 -1.09 -1.58 112.91 114.66 2wtn h THR 235 Ca -0.00 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 2wtn h THR 235 Cb 0.90 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2wtn h THR 235 CO 0.00 0.12 -0.24 -0.08 -0.25 0.00 0.00 175.52 175.08 2wtn h GLU 236 N 0.68 -0.63 -0.93 4.72 4.57 -1.17 -0.31 114.58 121.50 2wtn h GLU 236 Ca 0.30 0.04 0.27 0.00 -1.18 0.00 0.00 59.36 58.80 2wtn h GLU 236 Cb 0.31 0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 28.89 2wtn h GLU 236 CO -0.10 -0.33 0.19 0.00 -1.18 0.00 0.00 179.01 177.59 2wtn h ALA 237 N -0.65 1.33 -0.07 2.92 0.00 -1.05 -0.44 119.26 121.30 2wtn h ALA 237 Ca -0.07 0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 2wtn h ALA 237 Cb 0.60 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2wtn h ALA 237 CO 0.11 -0.56 -0.80 0.28 0.00 0.00 0.00 179.25 178.28 2wtn h VAL 238 N 0.10 1.36 -0.02 0.00 2.07 -1.17 -1.97 116.25 116.62 2wtn h VAL 238 Ca 0.60 -2.18 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 2wtn h VAL 238 Cb 1.28 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2wtn h VAL 238 CO -0.77 0.66 0.01 0.50 0.02 0.00 0.00 177.57 177.99 2wtn h LYS 239 N 0.33 0.03 -0.28 1.57 3.64 0.31 -1.41 116.57 120.76 2wtn h LYS 239 Ca -0.05 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2wtn h LYS 239 Cb 1.40 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2wtn h LYS 239 CO 0.14 0.12 -0.02 0.93 -2.27 0.00 0.00 179.45 178.36 2wtn h GLU 240 N -0.07 0.51 0.01 1.90 5.08 -1.02 -1.10 114.58 119.90 2wtn h GLU 240 Ca 0.01 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2wtn h GLU 240 Cb 0.10 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wtn h GLU 240 CO -0.00 0.68 -0.01 0.35 -1.00 0.00 0.00 179.01 179.02 2wtn h PHE 241 N 0.29 -0.03 -0.15 4.33 3.57 -1.40 -2.28 116.94 121.26 2wtn h PHE 241 Ca 0.08 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2wtn h PHE 241 Cb 0.46 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2wtn h PHE 241 CO 0.04 -0.02 -0.39 0.52 -2.23 0.00 0.00 178.31 176.23 2wtn h MET 242 N -0.03 0.34 0.23 1.11 2.86 -1.10 -1.20 114.93 117.14 2wtn h MET 242 Ca 0.00 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2wtn h MET 242 Cb 0.03 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2wtn h MET 242 CO -0.01 0.68 -0.14 -0.07 1.06 0.00 0.00 176.91 178.44 2wtn h LEU 243 N 0.28 -0.35 -0.78 1.22 3.38 -1.07 0.79 115.31 118.78 2wtn h LEU 243 Ca 0.03 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2wtn h LEU 243 Cb 0.82 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 2wtn h LEU 243 CO 0.07 -0.23 -0.46 1.21 0.09 0.00 0.00 178.44 179.12 2wtn n GLU 244 N -5.26 -0.34 0.04 1.13 2.13 -0.87 -2.29 120.64 115.17 2wtn n GLU 244 Ca -0.09 1.19 -0.08 0.00 0.66 0.00 0.00 57.16 58.85 2wtn n GLU 244 Cb 0.18 -1.76 0.09 0.00 0.27 0.00 0.00 31.44 30.22 2wtn n GLU 244 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2wtn h GLN 245 N 0.00 0.43 0.00 5.31 1.08 0.06 -2.95 115.11 119.05 2wtn h GLN 245 Ca 0.12 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 2wtn h GLN 245 Cb 0.32 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2wtn h GLN 245 CO -0.73 0.88 -0.22 -0.84 -0.95 0.00 0.00 178.83 176.97 2wtn h ILE 246 N 0.33 0.39 0.00 2.54 3.07 -0.74 -2.09 117.51 121.02 2wtn h ILE 246 Ca 0.00 -1.43 0.00 0.00 1.55 0.00 0.00 64.86 64.98 2wtn h ILE 246 Cb 1.08 2.09 0.00 0.00 -0.27 0.00 0.00 36.82 39.72 2wtn h ILE 246 CO 0.10 0.21 0.00 0.00 -1.05 0.00 0.00 178.15 177.41 2wtn h ALA 247 N 1.78 1.00 0.00 0.16 0.00 -1.28 -3.52 119.26 117.41 2wtn h ALA 247 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wtn h ALA 247 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wtn h ALA 247 CO 0.03 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.64