#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmy s PHE 6 N 0.00 2.83 -0.02 1.12 0.08 -1.26 -4.81 117.98 115.92 2wmy s PHE 6 Ca 0.00 -0.85 0.15 0.00 0.12 0.00 0.00 56.93 56.34 2wmy s PHE 6 Cb 0.00 -4.28 -0.23 0.00 -0.57 0.00 0.00 43.02 37.94 2wmy s PHE 6 CO 0.00 -1.58 0.32 -3.47 -0.10 0.00 0.00 175.22 170.39 2wmy n ASP 7 N 7.27 1.63 -4.39 1.36 2.03 -1.26 -4.93 116.55 118.27 2wmy n ASP 7 Ca 0.05 -0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 2wmy n ASP 7 Cb 0.46 1.67 -0.15 0.00 -0.72 0.00 0.00 41.12 42.39 2wmy n ASP 7 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2wmy s SER 8 N -3.69 3.57 -0.06 1.67 0.01 -1.26 -2.90 113.70 111.04 2wmy s SER 8 Ca -0.05 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2wmy s SER 8 Cb 0.09 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.62 2wmy s SER 8 CO 0.61 0.31 -0.08 -0.63 0.41 0.00 0.00 173.24 173.87 2wmy s ILE 9 N -0.55 0.82 -0.32 1.44 1.01 -0.21 -2.13 121.20 121.25 2wmy s ILE 9 Ca 0.08 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 2wmy s ILE 9 Cb -0.11 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.60 2wmy s ILE 9 CO 0.01 0.29 0.09 -0.22 0.00 0.00 0.00 174.94 175.10 2wmy s LEU 10 N 0.84 4.12 -0.12 2.97 2.96 0.01 -1.35 118.68 128.09 2wmy s LEU 10 Ca -0.12 -1.01 -0.22 0.00 -0.22 0.00 0.00 54.13 52.55 2wmy s LEU 10 Cb -0.15 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2wmy s LEU 10 CO 0.01 -0.28 0.67 -0.69 -1.32 0.00 0.00 176.35 174.75 2wmy s VAL 11 N 1.42 5.03 -0.08 1.68 1.01 0.16 -1.51 120.40 128.11 2wmy s VAL 11 Ca -0.01 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.33 2wmy s VAL 11 Cb -0.19 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2wmy s VAL 11 CO 0.02 0.19 -0.13 -0.63 0.00 0.00 0.00 175.10 174.55 2wmy s ILE 12 N 1.27 1.27 0.00 2.22 1.01 0.26 -1.14 121.20 126.09 2wmy s ILE 12 Ca 0.34 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2wmy s ILE 12 Cb -0.17 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.14 2wmy s ILE 12 CO 0.14 0.39 0.00 0.00 0.00 0.00 0.00 174.94 175.47 2wmy n THR 14 N 0.00 1.06 0.42 0.00 -1.04 -1.26 -1.55 114.28 111.90 2wmy n THR 14 Ca 0.00 0.25 0.12 0.00 -2.04 0.00 0.00 64.05 62.38 2wmy n THR 14 Cb 0.00 -2.10 0.21 0.00 -1.82 0.00 0.00 70.33 66.62 2wmy n THR 14 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2wmy h GLY 15 N -0.71 0.00 -4.87 3.41 0.00 -1.91 0.40 103.07 99.40 2wmy h GLY 15 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 2wmy h GLY 15 CO 0.00 0.00 -0.60 -2.01 0.00 0.00 0.00 176.54 173.93 2wmy n ASN 16 N -2.51 -5.49 0.00 0.19 4.05 -1.26 -1.85 115.26 108.39 2wmy n ASN 16 Ca 0.04 -0.34 0.00 0.00 0.45 0.00 0.00 54.58 54.72 2wmy n ASN 16 Cb 0.48 -4.44 0.00 0.00 1.23 0.00 0.00 39.78 37.05 2wmy n ASN 16 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2wmy n ILE 17 N -4.40 0.00 0.00 -1.44 -5.35 -1.26 -4.38 119.36 102.53 2wmy n ILE 17 Ca -0.08 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2wmy n ILE 17 Cb 0.59 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 2wmy n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wmy h ARG 19 N 0.00 -0.45 -0.74 0.00 3.08 -1.96 -3.24 114.38 111.07 2wmy h ARG 19 Ca 0.00 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2wmy h ARG 19 Cb 0.00 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2wmy h ARG 19 CO 0.00 -0.15 0.40 0.66 -1.07 0.00 0.00 179.97 179.81 2wmy h SER 20 N -0.99 0.91 -0.56 7.04 4.64 -1.89 -0.13 113.55 122.58 2wmy h SER 20 Ca -0.05 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 2wmy h SER 20 Cb 0.51 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 2wmy h SER 20 CO 0.08 0.74 0.37 -0.65 -0.87 0.00 0.00 176.83 176.50 2wmy h PRO 21 N 1.03 0.62 -0.01 4.77 0.11 -1.85 0.32 132.00 137.00 2wmy h PRO 21 Ca 0.26 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.29 2wmy h PRO 21 Cb 0.03 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.00 2wmy h PRO 21 CO -0.04 0.41 -0.17 0.82 -0.21 0.00 0.00 178.00 178.81 2wmy h ILE 22 N 0.64 1.54 -0.82 4.15 2.04 -1.31 -2.52 117.51 121.22 2wmy h ILE 22 Ca 0.22 -1.83 0.02 0.00 1.00 0.00 0.00 64.86 64.27 2wmy h ILE 22 Cb 0.09 2.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 2wmy h ILE 22 CO -0.06 0.50 0.54 1.23 0.00 0.00 0.00 178.15 180.36 2wmy h GLY 23 N -0.53 1.17 0.30 5.37 0.00 -0.78 -0.17 103.07 108.43 2wmy h GLY 23 Ca -0.02 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 46.94 2wmy h GLY 23 CO 0.03 0.40 -0.23 -2.09 0.00 0.00 0.00 176.54 174.65 2wmy h GLU 24 N 1.09 -0.28 -0.22 4.80 4.81 -0.41 -1.33 114.58 123.04 2wmy h GLU 24 Ca 0.31 0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.39 2wmy h GLU 24 Cb -0.09 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2wmy h GLU 24 CO -0.08 -0.19 -0.55 0.00 -0.73 0.00 0.00 179.01 177.46 2wmy h ARG 25 N -0.29 0.65 -0.00 1.92 2.47 -0.99 -1.44 114.38 116.70 2wmy h ARG 25 Ca 0.10 -0.41 0.02 0.00 -1.26 0.00 0.00 59.98 58.43 2wmy h ARG 25 Cb 0.45 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 2wmy h ARG 25 CO -0.30 1.03 -0.13 -0.07 0.56 0.00 0.00 179.97 181.06 2wmy h LEU 26 N 0.50 -0.37 -1.32 3.04 3.38 -0.98 -2.27 115.31 117.29 2wmy h LEU 26 Ca 0.01 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wmy h LEU 26 Cb 1.11 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2wmy h LEU 26 CO 0.11 -0.18 0.14 -0.07 0.09 0.00 0.00 178.44 178.53 2wmy h LEU 27 N -0.21 0.54 -0.44 1.67 3.38 -1.00 -2.34 115.31 116.92 2wmy h LEU 27 Ca 0.05 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2wmy h LEU 27 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2wmy h LEU 27 CO -0.13 0.52 0.10 0.03 0.09 0.00 0.00 178.44 179.05 2wmy h ARG 28 N 0.59 0.71 -0.79 1.13 3.08 -1.11 0.17 114.38 118.16 2wmy h ARG 28 Ca 0.14 -0.17 0.18 0.00 0.07 0.00 0.00 59.98 60.20 2wmy h ARG 28 Cb 0.17 -0.09 -0.14 0.00 0.08 0.00 0.00 29.97 29.99 2wmy h ARG 28 CO -0.01 0.72 0.00 -0.09 -1.07 0.00 0.00 179.97 179.52 2wmy h ARG 29 N 0.58 0.09 0.03 0.04 2.43 -0.88 -2.81 114.38 113.85 2wmy h ARG 29 Ca 0.14 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 59.01 2wmy h ARG 29 Cb 0.33 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2wmy h ARG 29 CO 0.00 0.06 -1.64 -0.07 -1.51 0.00 0.00 179.97 176.81 2wmy h LEU 30 N 0.09 0.10 -6.60 3.80 3.38 -1.08 -3.40 115.31 111.60 2wmy h LEU 30 Ca 0.43 -0.19 -0.60 0.00 0.09 0.00 0.00 57.88 57.61 2wmy h LEU 30 Cb 0.77 -0.03 -0.41 0.00 0.09 0.00 0.00 40.66 41.08 2wmy h LEU 30 CO -0.70 1.16 -0.73 0.18 0.09 0.00 0.00 178.44 178.44 2wmy n LEU 31 N -3.18 2.04 0.18 1.67 4.77 0.54 -4.98 117.00 118.03 2wmy n LEU 31 Ca -0.17 -5.01 0.14 0.00 -0.03 0.00 0.00 56.01 50.94 2wmy n LEU 31 Cb 1.04 -0.27 0.60 0.00 -2.33 0.00 0.00 43.42 42.45 2wmy n LEU 31 CO 0.46 1.88 0.90 -0.65 -1.33 0.00 0.00 177.39 178.65 2wmy h PRO 32 N 5.02 0.00 -0.02 3.23 0.11 -1.73 -2.94 132.00 135.66 2wmy h PRO 32 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2wmy h PRO 32 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2wmy h PRO 32 CO 0.63 0.00 -0.03 -1.13 -0.21 0.00 0.00 178.00 177.27 2wmy n SER 33 N -2.48 2.39 -4.88 -2.05 3.41 -1.26 -4.94 113.62 103.80 2wmy n SER 33 Ca 0.01 -1.78 -0.29 0.00 -0.26 0.00 0.00 58.87 56.55 2wmy n SER 33 Cb 0.20 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 2wmy n SER 33 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wmy s LYS 34 N -2.03 3.26 -0.50 4.33 1.02 -1.11 -5.06 119.74 119.64 2wmy s LYS 34 Ca 0.31 -0.59 -0.27 0.00 0.02 0.00 0.00 55.97 55.43 2wmy s LYS 34 Cb 0.20 -2.91 0.03 0.00 -0.52 0.00 0.00 37.83 34.64 2wmy s LYS 34 CO 0.33 0.56 1.07 0.21 -0.92 0.00 0.00 175.35 176.60 2wmy s LYS 35 N -2.78 3.58 -0.19 1.68 2.20 -1.14 -5.00 119.74 118.09 2wmy s LYS 35 Ca 0.33 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 2wmy s LYS 35 Cb -0.12 -3.95 0.04 0.00 -1.51 0.00 0.00 37.83 32.29 2wmy s LYS 35 CO 0.26 -1.42 -0.08 0.42 -0.36 0.00 0.00 175.35 174.18 2wmy s ILE 36 N 4.34 1.40 0.22 5.43 1.01 -1.26 -1.04 121.20 131.29 2wmy s ILE 36 Ca 0.42 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.21 2wmy s ILE 36 Cb -0.08 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 2wmy s ILE 36 CO 0.28 0.12 0.08 0.59 0.00 0.00 0.00 174.94 176.00 2wmy n ASN 37 N 4.76 1.07 -3.66 3.58 3.02 -0.46 -4.98 115.26 118.60 2wmy n ASN 37 Ca -0.13 -2.16 -0.13 0.00 -0.03 0.00 0.00 54.58 52.14 2wmy n ASN 37 Cb 0.47 0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 40.13 2wmy n ASN 37 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2wmy s SER 38 N -2.33 -0.29 0.38 6.41 1.04 -1.26 0.36 113.70 118.01 2wmy s SER 38 Ca 0.11 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.39 2wmy s SER 38 Cb 0.01 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.61 2wmy s SER 38 CO 0.08 -0.68 0.77 0.00 0.98 0.00 0.00 173.24 174.39 2wmy s ALA 39 N -2.54 -0.64 -0.05 5.32 0.00 -0.29 -4.67 121.76 118.89 2wmy s ALA 39 Ca -0.05 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 2wmy s ALA 39 Cb -0.01 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2wmy s ALA 39 CO -0.03 -0.97 0.15 0.20 0.00 0.00 0.00 175.76 175.11 2wmy s GLY 40 N -3.08 -0.08 0.14 0.00 0.00 0.20 -2.20 107.32 102.30 2wmy s GLY 40 Ca 0.16 0.33 0.23 0.00 0.00 0.00 0.00 44.72 45.44 2wmy s GLY 40 CO 0.12 0.25 1.72 3.33 0.00 0.00 0.00 173.10 178.52 2wmy n VAL 41 N 2.73 0.65 -2.61 1.40 0.24 -0.60 -1.38 118.33 118.77 2wmy n VAL 41 Ca -0.14 0.05 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 2wmy n VAL 41 Cb 0.58 -0.85 0.02 0.00 -1.47 0.00 0.00 33.84 32.12 2wmy n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wmy n GLY 42 N 0.62 2.67 3.77 7.63 0.00 0.14 -4.91 105.19 115.11 2wmy n GLY 42 Ca 0.04 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 2wmy n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmy s ALA 43 N -3.23 2.94 -1.01 4.61 0.00 -0.94 -4.14 121.76 119.98 2wmy s ALA 43 Ca 0.32 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 53.10 2wmy s ALA 43 Cb 0.44 -3.40 0.16 0.00 0.00 0.00 0.00 23.12 20.32 2wmy s ALA 43 CO -0.02 -0.75 1.19 -0.51 0.00 0.00 0.00 175.76 175.67 2wmy s LEU 44 N -3.13 5.26 0.15 0.00 1.43 -0.77 -4.92 118.68 116.70 2wmy s LEU 44 Ca 0.65 -2.45 -0.31 0.00 -1.03 0.00 0.00 54.13 50.99 2wmy s LEU 44 Cb -0.30 -2.37 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 2wmy s LEU 44 CO 0.36 -0.89 1.72 -0.69 0.23 0.00 0.00 176.35 177.07 2wmy s VAL 45 N 1.97 2.46 0.00 -1.59 1.01 -1.26 -1.52 120.40 121.47 2wmy s VAL 45 Ca 0.34 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2wmy s VAL 45 Cb -0.05 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2wmy s VAL 45 CO -0.07 0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.51 2wmy n ASP 46 N 4.78 -0.37 -4.76 3.32 8.00 -0.12 -4.88 116.55 122.52 2wmy n ASP 46 Ca 0.16 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.26 2wmy n ASP 46 Cb 0.38 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 2wmy n ASP 46 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2wmy s HIS 47 N -3.50 3.95 1.05 1.24 3.76 -0.58 -4.62 115.29 116.59 2wmy s HIS 47 Ca 0.00 1.78 -0.12 0.00 -0.15 0.00 0.00 55.06 56.57 2wmy s HIS 47 Cb 0.00 -2.88 0.22 0.00 1.11 0.00 0.00 32.58 31.02 2wmy s HIS 47 CO 0.00 0.48 1.07 -0.08 -0.85 0.00 0.00 174.74 175.36 2wmy s THR 48 N -1.14 2.13 0.55 1.30 -1.32 -1.26 -0.27 115.64 115.63 2wmy s THR 48 Ca 0.39 0.04 -0.22 0.00 -1.21 0.00 0.00 61.69 60.69 2wmy s THR 48 Cb -0.25 -2.34 -0.05 0.00 -1.51 0.00 0.00 72.50 68.35 2wmy s THR 48 CO 0.29 -0.05 1.35 0.00 -2.21 0.00 0.00 174.62 174.00 2wmy n ALA 49 N -4.44 1.56 -1.74 11.08 0.00 -1.26 -4.80 120.51 120.91 2wmy n ALA 49 Ca 0.05 0.12 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 2wmy n ALA 49 Cb 0.56 -2.35 0.02 0.00 0.00 0.00 0.00 19.45 17.67 2wmy n ALA 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wmy n ASP 50 N -1.03 2.97 -0.25 0.00 2.03 -0.10 -4.80 116.55 115.37 2wmy n ASP 50 Ca 0.11 1.10 -0.00 0.00 0.52 0.00 0.00 54.79 56.51 2wmy n ASP 50 Cb 0.45 -1.56 0.12 0.00 -0.72 0.00 0.00 41.12 39.40 2wmy n ASP 50 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2wmy h GLU 51 N 2.10 0.67 -0.13 -0.67 4.81 -1.91 -0.29 114.58 119.15 2wmy h GLU 51 Ca -0.50 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.61 2wmy h GLU 51 Cb 1.28 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2wmy h GLU 51 CO 0.60 0.44 -0.30 0.77 -0.73 0.00 0.00 179.01 179.79 2wmy h SER 52 N 0.69 0.25 -0.16 1.04 0.02 -1.97 -0.21 113.55 113.21 2wmy h SER 52 Ca 0.33 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2wmy h SER 52 Cb 0.26 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2wmy h SER 52 CO -0.22 0.55 0.00 0.00 -1.14 0.00 0.00 176.83 176.03 2wmy h ALA 53 N 1.47 0.22 -0.70 3.77 0.00 -1.54 -1.66 119.26 120.83 2wmy h ALA 53 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2wmy h ALA 53 Cb 0.64 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2wmy h ALA 53 CO 0.05 -0.08 0.46 0.82 0.00 0.00 0.00 179.25 180.50 2wmy h ILE 54 N 0.04 1.18 0.05 0.00 2.04 -0.89 -1.30 117.51 118.63 2wmy h ILE 54 Ca 0.05 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2wmy h ILE 54 Cb 0.37 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2wmy h ILE 54 CO 0.01 0.18 -0.15 -0.09 0.00 0.00 0.00 178.15 178.10 2wmy h ARG 55 N 0.95 -0.26 -0.24 2.37 2.43 -0.90 0.17 114.38 118.89 2wmy h ARG 55 Ca 0.26 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 2wmy h ARG 55 Cb -0.10 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2wmy h ARG 55 CO -0.05 -0.17 -0.28 -0.24 -1.51 0.00 0.00 179.97 177.71 2wmy h VAL 56 N -0.27 1.27 0.41 0.20 3.04 -1.19 -1.79 116.25 117.93 2wmy h VAL 56 Ca 0.03 -1.33 -0.02 0.00 -1.01 0.00 0.00 66.70 64.37 2wmy h VAL 56 Cb 0.31 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 2wmy h VAL 56 CO -0.11 0.42 -0.20 0.00 -1.01 0.00 0.00 177.57 176.67 2wmy h ALA 57 N 1.28 -0.56 -0.93 3.17 0.00 -0.99 -2.73 119.26 118.49 2wmy h ALA 57 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2wmy h ALA 57 Cb 0.71 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2wmy h ALA 57 CO 0.05 -0.72 0.62 0.93 0.00 0.00 0.00 179.25 180.13 2wmy h GLU 58 N -0.74 1.22 -0.97 0.00 5.08 -0.81 0.69 114.58 119.06 2wmy h GLU 58 Ca -0.06 -0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.40 2wmy h GLU 58 Cb 0.52 -0.28 -0.10 0.00 0.50 0.00 0.00 28.75 29.39 2wmy h GLU 58 CO 0.09 0.81 0.57 -0.22 -1.00 0.00 0.00 179.01 179.27 2wmy h LYS 59 N 1.26 0.75 -0.61 2.33 3.64 -1.31 0.59 116.57 123.23 2wmy h LYS 59 Ca 0.34 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2wmy h LYS 59 Cb -0.14 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.51 2wmy h LYS 59 CO -0.08 0.50 0.00 0.09 -2.27 0.00 0.00 179.45 177.69 2wmy n ASN 60 N -4.76 3.37 -0.56 4.20 3.02 -0.20 -4.92 115.26 115.41 2wmy n ASN 60 Ca 0.21 -2.31 -0.07 0.00 -0.03 0.00 0.00 54.58 52.38 2wmy n ASN 60 Cb 0.50 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 2wmy n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wmy n GLY 61 N 0.84 0.84 3.62 7.41 0.00 0.20 -5.02 105.19 113.08 2wmy n GLY 61 Ca 0.17 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 2wmy n GLY 61 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wmy s LEU 62 N -1.62 3.52 -0.19 0.99 2.96 0.06 -4.97 118.68 119.44 2wmy s LEU 62 Ca 0.00 0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.89 2wmy s LEU 62 Cb 0.00 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2wmy s LEU 62 CO 0.00 0.28 0.06 0.00 -1.32 0.00 0.00 176.35 175.37 2wmy n LEU 64 N 3.78 2.47 -4.72 0.00 4.32 -1.26 -4.95 117.00 116.64 2wmy n LEU 64 Ca -0.16 -0.99 -0.41 0.00 -0.02 0.00 0.00 56.01 54.43 2wmy n LEU 64 Cb 0.52 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.33 2wmy n LEU 64 CO 0.34 0.43 0.96 0.29 -1.22 0.00 0.00 177.39 178.20 2wmy n LYS 65 N 0.97 2.13 -0.40 3.23 5.02 -1.26 -2.55 118.16 125.30 2wmy n LYS 65 Ca 0.10 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 2wmy n LYS 65 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 2wmy n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wmy n GLY 66 N 0.71 0.76 3.78 0.72 0.00 -1.26 -5.05 105.19 104.86 2wmy n GLY 66 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2wmy n GLY 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wmy s HIS 67 N -2.83 2.89 -0.04 1.61 5.04 -1.06 -5.05 115.29 115.86 2wmy s HIS 67 Ca 0.00 1.57 -0.02 0.00 -1.54 0.00 0.00 55.06 55.07 2wmy s HIS 67 Cb 0.00 -3.19 0.03 0.00 0.04 0.00 0.00 32.58 29.46 2wmy s HIS 67 CO 0.00 -1.16 0.07 0.50 -2.34 0.00 0.00 174.74 171.81 2wmy s ARG 68 N -3.11 -0.04 0.19 2.88 3.52 -1.26 -4.43 118.95 116.70 2wmy s ARG 68 Ca 0.68 0.34 -0.33 0.00 -0.13 0.00 0.00 55.73 56.29 2wmy s ARG 68 Cb -0.21 -0.37 -0.13 0.00 -1.56 0.00 0.00 34.95 32.68 2wmy s ARG 68 CO 0.25 -0.26 1.61 0.41 -0.81 0.00 0.00 175.30 176.50 2wmy n GLY 69 N 4.85 1.24 3.00 8.12 0.00 0.63 -4.77 105.19 118.26 2wmy n GLY 69 Ca -0.13 0.62 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 2wmy n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wmy s THR 70 N 0.86 0.70 -0.10 2.61 2.01 -1.26 -0.95 115.64 119.50 2wmy s THR 70 Ca 0.76 -0.35 -0.27 0.00 0.31 0.00 0.00 61.69 62.14 2wmy s THR 70 Cb -0.61 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 2wmy s THR 70 CO 0.38 0.21 0.87 -0.75 -0.69 0.00 0.00 174.62 174.63 2wmy s LYS 71 N -0.04 4.40 0.20 4.92 2.47 -1.26 -0.62 119.74 129.81 2wmy s LYS 71 Ca 0.01 1.14 -0.30 0.00 -1.56 0.00 0.00 55.97 55.26 2wmy s LYS 71 Cb -0.05 -3.52 -0.09 0.00 -1.46 0.00 0.00 37.83 32.71 2wmy s LYS 71 CO -0.00 -0.19 1.36 0.12 0.16 0.00 0.00 175.35 176.81 2wmy s PHE 72 N 1.61 3.19 0.08 4.03 5.36 -0.48 -4.72 117.98 127.05 2wmy s PHE 72 Ca 0.43 1.10 -0.03 0.00 -0.96 0.00 0.00 56.93 57.47 2wmy s PHE 72 Cb -0.18 -3.68 -0.03 0.00 -0.34 0.00 0.00 43.02 38.79 2wmy s PHE 72 CO 0.18 -2.22 0.05 0.95 -1.46 0.00 0.00 175.22 172.72 2wmy s THR 73 N 0.29 0.18 0.25 0.12 -4.23 -1.26 -4.88 115.64 106.11 2wmy s THR 73 Ca 0.59 -1.64 -0.05 0.00 -1.18 0.00 0.00 61.69 59.42 2wmy s THR 73 Cb -0.38 -1.55 0.25 0.00 1.34 0.00 0.00 72.50 72.16 2wmy s THR 73 CO 0.38 -0.81 1.90 0.77 -0.54 0.00 0.00 174.62 176.32 2wmy h SER 74 N 2.98 1.05 -0.61 3.99 4.64 -1.96 -2.23 113.55 121.41 2wmy h SER 74 Ca -0.34 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2wmy h SER 74 Cb 1.17 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 2wmy h SER 74 CO 0.62 0.72 0.38 0.00 -0.87 0.00 0.00 176.83 177.68 2wmy h ALA 75 N 1.40 0.78 -0.78 5.18 0.00 -1.96 -2.64 119.26 121.24 2wmy h ALA 75 Ca 0.39 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2wmy h ALA 75 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2wmy h ALA 75 CO -0.12 0.24 0.28 1.25 0.00 0.00 0.00 179.25 180.90 2wmy h LEU 76 N 0.83 1.09 -1.93 0.00 5.85 -1.84 -2.90 115.31 116.40 2wmy h LEU 76 Ca 0.22 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wmy h LEU 76 Cb -0.04 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 2wmy h LEU 76 CO -0.04 0.99 0.05 0.00 -0.34 0.00 0.00 178.44 179.10 2wmy h ALA 77 N 1.15 1.96 0.00 1.25 0.00 -1.05 -1.93 119.26 120.64 2wmy h ALA 77 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wmy h ALA 77 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wmy h ALA 77 CO -0.02 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2wmy h ARG 78 N 0.09 0.00 -0.29 0.00 3.08 -1.40 -1.68 114.38 114.19 2wmy h ARG 78 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2wmy h ARG 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wmy h ARG 78 CO -0.01 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.93 2wmy n GLN 79 N -2.37 1.91 -4.36 0.04 6.02 -0.73 -4.89 117.38 113.00 2wmy n GLN 79 Ca 0.00 -1.39 -0.19 0.00 -0.01 0.00 0.00 57.00 55.42 2wmy n GLN 79 Cb 0.15 -1.38 -0.14 0.00 1.02 0.00 0.00 30.24 29.89 2wmy n GLN 79 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2wmy s TYR 80 N -1.62 1.03 -0.42 1.08 2.02 -0.63 -4.90 117.35 113.90 2wmy s TYR 80 Ca 0.31 -0.28 0.23 0.00 -0.37 0.00 0.00 57.07 56.96 2wmy s TYR 80 Cb 0.17 -0.63 0.24 0.00 -0.40 0.00 0.00 41.96 41.34 2wmy s TYR 80 CO 0.24 0.00 1.34 -0.44 -1.57 0.00 0.00 175.55 175.12 2wmy h ASP 81 N 5.33 0.00 -3.02 2.29 3.32 -1.71 -3.46 116.42 119.16 2wmy h ASP 81 Ca -0.35 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.56 2wmy h ASP 81 Cb 1.18 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.46 2wmy h ASP 81 CO 0.46 0.02 -0.31 -0.22 -1.72 0.00 0.00 179.24 177.47 2wmy s LEU 82 N -5.37 -0.27 -0.13 1.55 2.96 -0.92 -4.90 118.68 111.60 2wmy s LEU 82 Ca 0.04 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 2wmy s LEU 82 Cb 0.09 1.37 -0.03 0.00 0.50 0.00 0.00 46.19 48.11 2wmy s LEU 82 CO 0.72 -0.21 0.02 -0.76 -1.32 0.00 0.00 176.35 174.81 2wmy s LEU 83 N 1.74 3.64 -0.20 -0.68 1.02 -0.38 -0.81 118.68 123.02 2wmy s LEU 83 Ca -0.07 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.18 2wmy s LEU 83 Cb -0.09 -1.87 0.04 0.00 0.02 0.00 0.00 46.19 44.28 2wmy s LEU 83 CO -0.13 0.28 -0.12 -0.76 0.02 0.00 0.00 176.35 175.64 2wmy s LEU 84 N -0.27 2.29 0.18 1.79 1.43 -0.57 -0.88 118.68 122.66 2wmy s LEU 84 Ca 0.07 -0.85 0.08 0.00 -1.03 0.00 0.00 54.13 52.40 2wmy s LEU 84 Cb -0.12 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2wmy s LEU 84 CO 0.02 -0.12 -0.02 0.68 0.23 0.00 0.00 176.35 177.14 2wmy s VAL 85 N 1.37 3.59 0.03 -1.59 -7.23 -0.22 -0.57 120.40 115.78 2wmy s VAL 85 Ca -0.00 -1.52 -0.15 0.00 -1.81 0.00 0.00 61.98 58.50 2wmy s VAL 85 Cb -0.16 -2.81 -0.35 0.00 0.56 0.00 0.00 36.38 33.62 2wmy s VAL 85 CO -0.09 -0.14 0.98 0.24 -0.31 0.00 0.00 175.10 175.79 2wmy h MET 86 N 2.65 0.52 -6.53 4.82 0.00 -1.78 0.19 114.93 114.80 2wmy h MET 86 Ca -0.47 -0.89 -0.63 0.00 0.00 0.00 0.00 59.70 57.72 2wmy h MET 86 Cb 1.21 0.33 -0.22 0.00 0.00 0.00 0.00 31.60 32.91 2wmy h MET 86 CO 0.57 1.42 -0.85 -1.21 0.00 0.00 0.00 176.91 176.85 2wmy s GLU 87 N -2.60 1.30 0.24 1.72 2.02 -1.26 -1.63 118.70 118.49 2wmy s GLU 87 Ca -0.09 -1.23 -0.05 0.00 0.02 0.00 0.00 54.97 53.62 2wmy s GLU 87 Cb 0.04 -1.66 0.44 0.00 0.10 0.00 0.00 34.13 33.06 2wmy s GLU 87 CO 0.94 0.39 1.70 1.88 0.02 0.00 0.00 175.26 180.19 2wmy h TYR 88 N 4.08 0.34 -0.20 1.61 0.05 -1.96 0.63 116.97 121.52 2wmy h TYR 88 Ca -0.48 0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.40 2wmy h TYR 88 Cb 1.17 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 2wmy h TYR 88 CO 0.59 -0.04 0.18 0.66 -1.05 0.00 0.00 178.16 178.51 2wmy h SER 89 N 0.32 0.00 0.49 3.88 4.64 -2.01 0.42 113.55 121.29 2wmy h SER 89 Ca 0.40 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.67 2wmy h SER 89 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2wmy h SER 89 CO -0.47 0.00 -0.24 0.45 -0.87 0.00 0.00 176.83 175.70 2wmy h HIS 90 N 0.00 0.00 -0.32 4.77 3.86 -1.27 -2.96 115.15 119.23 2wmy h HIS 90 Ca 0.10 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 2wmy h HIS 90 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2wmy h HIS 90 CO 0.00 0.24 0.09 -0.07 0.86 0.00 0.00 177.93 179.05 2wmy h LEU 91 N 0.00 0.47 -1.19 2.43 3.38 -0.88 -0.67 115.31 118.85 2wmy h LEU 91 Ca -0.00 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2wmy h LEU 91 Cb 0.55 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2wmy h LEU 91 CO 0.03 0.56 -0.28 -0.33 0.09 0.00 0.00 178.44 178.51 2wmy h GLU 92 N 0.35 0.20 -0.24 1.13 4.39 -1.61 -1.75 114.58 117.06 2wmy h GLU 92 Ca 0.10 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.58 2wmy h GLU 92 Cb 0.27 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2wmy h GLU 92 CO -0.00 0.47 -0.47 1.96 -1.16 0.00 0.00 179.01 179.81 2wmy h GLN 93 N 0.18 0.62 -0.48 2.33 4.20 -1.32 0.10 115.11 120.74 2wmy h GLN 93 Ca 0.03 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.31 2wmy h GLN 93 Cb 0.60 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2wmy h GLN 93 CO 0.04 0.96 0.01 0.82 -0.67 0.00 0.00 178.83 179.99 2wmy h ILE 94 N 0.49 1.26 -0.61 2.54 1.08 -0.89 0.22 117.51 121.60 2wmy h ILE 94 Ca 0.03 -1.04 0.03 0.00 -0.39 0.00 0.00 64.86 63.48 2wmy h ILE 94 Cb 1.01 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 2wmy h ILE 94 CO 0.09 0.36 0.38 0.28 -0.69 0.00 0.00 178.15 178.57 2wmy h SER 95 N 0.69 0.62 -0.29 1.72 0.02 -1.14 0.98 113.55 116.14 2wmy h SER 95 Ca 0.14 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2wmy h SER 95 Cb 0.49 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2wmy h SER 95 CO 0.02 0.43 -0.08 -0.09 -1.14 0.00 0.00 176.83 175.98 2wmy h ARG 96 N 0.75 0.57 0.06 3.45 2.43 -0.76 -3.09 114.38 117.79 2wmy h ARG 96 Ca 0.24 -0.22 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 2wmy h ARG 96 Cb 0.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2wmy h ARG 96 CO -0.10 0.77 -1.07 0.82 -1.51 0.00 0.00 179.97 178.88 2wmy h ILE 97 N 0.33 1.16 -2.35 1.20 2.04 -0.37 -3.42 117.51 116.10 2wmy h ILE 97 Ca 0.07 -2.33 -0.59 0.00 1.00 0.00 0.00 64.86 63.01 2wmy h ILE 97 Cb 0.57 2.72 -0.40 0.00 -0.74 0.00 0.00 36.82 38.97 2wmy h ILE 97 CO 0.03 0.58 -0.84 0.00 0.00 0.00 0.00 178.15 177.91 2wmy n ALA 98 N -3.01 3.14 -0.29 1.87 0.00 0.34 -4.55 120.51 118.01 2wmy n ALA 98 Ca -0.24 -3.89 0.14 0.00 0.00 0.00 0.00 53.44 49.45 2wmy n ALA 98 Cb 0.75 -0.86 0.39 0.00 0.00 0.00 0.00 19.45 19.73 2wmy n ALA 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wmy h PRO 99 N 4.71 0.64 0.00 0.00 0.11 -1.52 0.84 132.00 136.78 2wmy h PRO 99 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2wmy h PRO 99 Cb 0.81 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2wmy h PRO 99 CO 0.58 0.42 0.00 0.93 -0.21 0.00 0.00 178.00 179.72 2wmy h GLU 100 N 0.66 0.00 0.00 1.05 3.07 -1.89 -3.07 114.58 114.39 2wmy h GLU 100 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 2wmy h GLU 100 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2wmy h GLU 100 CO -0.24 0.00 -1.14 0.00 -1.40 0.00 0.00 179.01 176.23 2wmy n ALA 101 N -1.95 3.55 -0.02 3.43 0.00 0.28 -4.35 120.51 121.45 2wmy n ALA 101 Ca 0.02 -0.45 0.15 0.00 0.00 0.00 0.00 53.44 53.16 2wmy n ALA 101 Cb 0.29 -0.91 0.59 0.00 0.00 0.00 0.00 19.45 19.42 2wmy n ALA 101 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wmy h ARG 102 N 0.00 0.20 0.00 0.00 9.65 -1.42 -1.30 114.38 121.50 2wmy h ARG 102 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2wmy h ARG 102 Cb 0.72 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 2wmy h ARG 102 CO 0.00 0.13 0.00 0.41 2.80 0.00 0.00 179.97 183.31 2wmy n GLY 103 N -1.57 -1.16 0.26 2.80 0.00 -1.26 -2.62 105.19 101.63 2wmy n GLY 103 Ca 0.09 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2wmy n GLY 103 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wmy n LYS 104 N -1.41 1.09 -4.28 1.61 2.85 -0.50 -5.02 118.16 112.49 2wmy n LYS 104 Ca 0.08 -2.43 -0.34 0.00 -1.05 0.00 0.00 58.31 54.57 2wmy n LYS 104 Cb 0.22 -1.32 -0.10 0.00 -0.65 0.00 0.00 35.03 33.18 2wmy n LYS 104 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2wmy s THR 105 N -2.40 4.31 0.15 0.58 2.01 -1.08 -1.25 115.64 117.97 2wmy s THR 105 Ca 0.28 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 2wmy s THR 105 Cb 0.25 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 2wmy s THR 105 CO 0.00 0.53 0.05 -0.04 -0.69 0.00 0.00 174.62 174.48 2wmy s MET 106 N -0.12 1.02 0.37 4.92 -1.94 -0.05 -4.97 119.30 118.51 2wmy s MET 106 Ca 0.04 -1.50 -0.26 0.00 -1.71 0.00 0.00 55.69 52.27 2wmy s MET 106 Cb -0.13 0.11 -0.09 0.00 2.01 0.00 0.00 34.83 36.73 2wmy s MET 106 CO 0.02 -0.25 1.16 -0.51 -0.01 0.00 0.00 175.02 175.43 2wmy s LEU 107 N -3.10 4.28 0.26 -0.03 1.43 -1.26 -1.05 118.68 119.21 2wmy s LEU 107 Ca 0.26 2.34 -0.04 0.00 -1.03 0.00 0.00 54.13 55.66 2wmy s LEU 107 Cb 0.07 -3.93 0.32 0.00 0.03 0.00 0.00 46.19 42.69 2wmy s LEU 107 CO 0.04 -0.54 1.89 0.15 0.23 0.00 0.00 176.35 178.11 2wmy h PHE 108 N 2.92 1.11 -0.66 0.29 3.57 -0.88 -2.15 116.94 121.13 2wmy h PHE 108 Ca -0.48 -0.02 -0.32 0.00 3.53 0.00 0.00 57.97 60.67 2wmy h PHE 108 Cb 1.23 -0.36 -0.19 0.00 2.79 0.00 0.00 35.95 39.42 2wmy h PHE 108 CO 0.56 0.77 0.41 0.41 -2.23 0.00 0.00 178.31 178.23 2wmy n GLY 109 N -1.17 3.60 0.39 2.40 0.00 -1.20 -4.60 105.19 104.61 2wmy n GLY 109 Ca 0.08 -0.73 0.18 0.00 0.00 0.00 0.00 46.02 45.55 2wmy n GLY 109 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2wmy h HIS 110 N 0.86 0.63 -0.02 1.61 6.17 -1.58 -1.71 115.15 121.12 2wmy h HIS 110 Ca 0.40 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.50 2wmy h HIS 110 Cb 2.21 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 31.95 2wmy h HIS 110 CO 1.06 0.16 -0.04 0.91 0.71 0.00 0.00 177.93 180.73 2wmy n TRP 111 N -4.55 0.00 -3.16 5.26 7.02 -1.26 -4.87 117.44 115.88 2wmy n TRP 111 Ca 0.20 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.38 2wmy n TRP 111 Cb 0.68 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.52 2wmy n TRP 111 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2wmy s LEU 112 N -2.07 4.00 0.12 -0.99 1.43 -0.64 -5.01 118.68 115.51 2wmy s LEU 112 Ca 0.34 0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 54.14 2wmy s LEU 112 Cb 0.21 -3.79 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 2wmy s LEU 112 CO 0.36 -0.25 1.64 0.44 0.23 0.00 0.00 176.35 178.77 2wmy h ASP 113 N 1.75 -0.71 -3.56 2.29 3.32 -1.89 -3.34 116.42 114.29 2wmy h ASP 113 Ca -0.47 0.09 -0.61 0.00 0.02 0.00 0.00 57.03 56.05 2wmy h ASP 113 Cb 1.18 0.28 -0.12 0.00 0.22 0.00 0.00 39.33 40.89 2wmy h ASP 113 CO 0.66 -0.33 -0.20 -0.55 -1.72 0.00 0.00 179.24 177.10 2wmy s SER 114 N -4.86 6.38 0.06 6.45 0.15 -1.26 -5.00 113.70 115.62 2wmy s SER 114 Ca -0.15 0.44 0.16 0.00 0.70 0.00 0.00 55.95 57.10 2wmy s SER 114 Cb 0.08 -2.23 -0.13 0.00 -1.71 0.00 0.00 66.02 62.03 2wmy s SER 114 CO 0.66 -0.12 0.85 0.11 1.20 0.00 0.00 173.24 175.93 2wmy h LYS 115 N 7.64 0.00 -6.29 5.44 1.57 -1.72 -3.47 116.57 119.74 2wmy h LYS 115 Ca -0.34 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.89 2wmy h LYS 115 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 2wmy h LYS 115 CO 0.70 0.32 0.26 -2.00 -0.57 0.00 0.00 179.45 178.16 2wmy s GLU 116 N -2.89 4.52 -0.47 3.15 2.12 -1.26 -3.24 118.70 120.63 2wmy s GLU 116 Ca -0.03 1.22 -0.22 0.00 0.36 0.00 0.00 54.97 56.30 2wmy s GLU 116 Cb 0.09 -3.44 0.03 0.00 0.26 0.00 0.00 34.13 31.06 2wmy s GLU 116 CO 0.81 0.03 0.76 0.42 -0.54 0.00 0.00 175.26 176.73 2wmy s ILE 117 N 0.81 4.67 0.86 -3.70 -1.09 -0.65 -5.01 121.20 117.09 2wmy s ILE 117 Ca 0.46 0.23 -0.10 0.00 -2.23 0.00 0.00 60.65 59.01 2wmy s ILE 117 Cb -0.20 -4.33 0.11 0.00 -1.58 0.00 0.00 42.46 36.47 2wmy s ILE 117 CO 0.25 -0.76 1.12 -2.84 -1.23 0.00 0.00 174.94 171.48 2wmy s PRO 118 N 3.21 1.48 -0.28 2.79 0.02 -1.26 -4.58 135.00 136.38 2wmy s PRO 118 Ca 0.27 1.37 -0.27 0.00 0.02 0.00 0.00 61.00 62.39 2wmy s PRO 118 Cb -0.13 -1.79 0.01 0.00 0.02 0.00 0.00 34.50 32.60 2wmy s PRO 118 CO 0.20 -2.25 0.97 0.34 -0.33 0.00 0.00 177.00 175.92 2wmy s ASP 119 N -2.97 6.90 0.04 2.53 -1.08 -1.26 -4.93 116.67 115.89 2wmy s ASP 119 Ca 0.64 1.04 0.23 0.00 -0.52 0.00 0.00 52.55 53.95 2wmy s ASP 119 Cb -0.20 -2.50 0.18 0.00 -1.46 0.00 0.00 42.92 38.93 2wmy s ASP 119 CO 0.57 -0.72 1.15 -0.81 0.52 0.00 0.00 175.17 175.89 2wmy n PRO 120 N 6.46 0.18 -1.65 4.34 -0.04 -1.26 -4.94 135.00 138.10 2wmy n PRO 120 Ca 0.09 0.01 -0.49 0.00 -0.04 0.00 0.00 63.50 63.07 2wmy n PRO 120 Cb 0.47 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 2wmy n PRO 120 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2wmy n TYR 121 N -1.80 1.99 -0.41 0.54 9.36 -1.26 -0.86 117.16 124.73 2wmy n TYR 121 Ca 0.03 0.39 0.00 0.00 3.32 0.00 0.00 57.90 61.64 2wmy n TYR 121 Cb 0.40 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 2wmy n TYR 121 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wmy n ARG 122 N 3.65 0.00 -2.37 2.98 1.74 -1.26 -5.02 116.66 116.39 2wmy n ARG 122 Ca 0.19 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.01 2wmy n ARG 122 Cb 0.24 -1.82 0.14 0.00 -1.02 0.00 0.00 32.46 30.00 2wmy n ARG 122 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2wmy s MET 123 N -0.06 1.26 0.87 5.56 -1.94 -0.04 -5.06 119.30 119.89 2wmy s MET 123 Ca 0.00 -0.91 -0.12 0.00 -1.71 0.00 0.00 55.69 52.95 2wmy s MET 123 Cb 0.00 -2.16 0.12 0.00 2.01 0.00 0.00 34.83 34.80 2wmy s MET 123 CO 0.00 -1.83 1.10 -1.54 -0.01 0.00 0.00 175.02 172.74 2wmy s SER 124 N -4.81 3.73 0.41 3.03 1.04 -1.26 -4.89 113.70 110.95 2wmy s SER 124 Ca 0.70 1.37 0.10 0.00 0.48 0.00 0.00 55.95 58.60 2wmy s SER 124 Cb -0.04 -2.06 0.93 0.00 0.10 0.00 0.00 66.02 64.94 2wmy s SER 124 CO 0.48 -2.46 1.99 0.44 0.98 0.00 0.00 173.24 174.67 2wmy h ASP 125 N -1.43 0.46 0.80 7.02 3.45 -1.97 -2.68 116.42 122.08 2wmy h ASP 125 Ca -0.49 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 56.89 2wmy h ASP 125 Cb 1.29 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.95 2wmy h ASP 125 CO 0.57 0.29 -0.39 1.05 -1.57 0.00 0.00 179.24 179.19 2wmy h GLU 126 N 0.52 0.00 -0.15 3.56 4.11 -1.99 -1.17 114.58 119.46 2wmy h GLU 126 Ca 0.26 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.56 2wmy h GLU 126 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2wmy h GLU 126 CO -0.08 0.39 -0.46 0.00 0.07 0.00 0.00 179.01 178.93 2wmy h ALA 127 N 1.61 0.92 -0.32 1.06 0.00 -1.84 -2.47 119.26 118.22 2wmy h ALA 127 Ca -0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2wmy h ALA 127 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2wmy h ALA 127 CO 0.05 0.65 -0.37 0.74 0.00 0.00 0.00 179.25 180.32 2wmy h PHE 128 N 0.31 0.87 -0.41 0.00 0.04 -1.31 -0.89 116.94 115.55 2wmy h PHE 128 Ca 0.02 -0.25 0.04 0.00 2.80 0.00 0.00 57.97 60.58 2wmy h PHE 128 Cb 0.93 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 2wmy h PHE 128 CO 0.03 0.99 0.19 -0.44 -0.60 0.00 0.00 178.31 178.48 2wmy h ASP 129 N 0.61 0.27 0.46 2.17 3.32 -1.11 0.12 116.42 122.26 2wmy h ASP 129 Ca 0.06 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2wmy h ASP 129 Cb 0.91 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2wmy h ASP 129 CO 0.08 0.20 -0.22 0.28 -1.72 0.00 0.00 179.24 177.86 2wmy h SER 130 N 0.39 -0.53 -0.65 6.45 0.02 -1.29 -1.85 113.55 116.10 2wmy h SER 130 Ca 0.18 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 2wmy h SER 130 Cb 0.10 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 2wmy h SER 130 CO -0.13 -0.33 0.39 0.58 -1.14 0.00 0.00 176.83 176.19 2wmy h VAL 131 N -0.69 1.03 -0.28 2.27 2.07 -1.05 -0.59 116.25 119.02 2wmy h VAL 131 Ca -0.06 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2wmy h VAL 131 Cb 0.51 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 2wmy h VAL 131 CO 0.10 0.13 -0.05 0.22 0.02 0.00 0.00 177.57 178.00 2wmy h TYR 132 N 0.74 -0.11 -0.90 1.57 3.20 -0.69 0.92 116.97 121.70 2wmy h TYR 132 Ca 0.28 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2wmy h TYR 132 Cb 0.09 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 2wmy h TYR 132 CO -0.06 -0.10 0.58 0.37 -1.64 0.00 0.00 178.16 177.31 2wmy h GLN 133 N 0.02 1.20 -0.27 1.82 4.15 -0.63 0.15 115.11 121.55 2wmy h GLN 133 Ca 0.14 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2wmy h GLN 133 Cb 0.20 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2wmy h GLN 133 CO -0.27 0.81 0.12 -0.07 -1.93 0.00 0.00 178.83 177.48 2wmy h LEU 134 N 1.23 0.37 -0.96 -2.39 3.38 -0.62 -0.79 115.31 115.53 2wmy h LEU 134 Ca 0.33 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2wmy h LEU 134 Cb -0.11 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 2wmy h LEU 134 CO -0.07 0.42 0.63 -0.07 0.09 0.00 0.00 178.44 179.44 2wmy h LEU 135 N 0.29 1.06 -0.26 1.67 3.38 -0.35 -0.37 115.31 120.74 2wmy h LEU 135 Ca 0.09 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2wmy h LEU 135 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2wmy h LEU 135 CO -0.01 0.75 -0.18 -0.08 0.09 0.00 0.00 178.44 179.01 2wmy h GLU 136 N 1.25 0.58 -0.39 1.13 4.81 -0.45 -0.63 114.58 120.88 2wmy h GLU 136 Ca 0.37 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2wmy h GLU 136 Cb -0.07 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2wmy h GLU 136 CO -0.10 0.86 0.06 0.37 -0.73 0.00 0.00 179.01 179.46 2wmy h GLN 137 N 0.31 0.64 -0.90 1.92 4.15 -0.95 -1.93 115.11 118.36 2wmy h GLN 137 Ca 0.05 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 2wmy h GLN 137 Cb 0.72 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.29 2wmy h GLN 137 CO 0.05 0.70 0.50 0.00 -1.93 0.00 0.00 178.83 178.16 2wmy h ALA 138 N 0.91 1.15 -0.11 3.38 0.00 -1.01 -2.58 119.26 121.00 2wmy h ALA 138 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wmy h ALA 138 Cb 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wmy h ALA 138 CO 0.01 0.64 0.06 0.77 0.00 0.00 0.00 179.25 180.73 2wmy h SER 139 N 1.25 0.14 -0.78 0.00 0.02 -0.91 -1.07 113.55 112.20 2wmy h SER 139 Ca 0.32 -0.10 0.07 0.00 -0.84 0.00 0.00 61.79 61.24 2wmy h SER 139 Cb 0.01 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 2wmy h SER 139 CO -0.05 0.20 0.45 0.11 -1.14 0.00 0.00 176.83 176.40 2wmy h LYS 140 N 0.07 0.78 -0.38 3.45 1.57 -1.21 0.40 116.57 121.25 2wmy h LYS 140 Ca 0.04 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2wmy h LYS 140 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2wmy h LYS 140 CO -0.01 0.52 -0.27 0.00 -0.57 0.00 0.00 179.45 179.12 2wmy h ARG 141 N 0.80 0.86 -0.86 3.15 3.08 -1.26 -1.16 114.38 118.98 2wmy h ARG 141 Ca 0.36 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2wmy h ARG 141 Cb 0.25 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2wmy h ARG 141 CO -0.21 1.05 0.46 -1.49 -1.07 0.00 0.00 179.97 178.71 2wmy h TRP 142 N 0.66 1.19 -0.53 3.04 4.06 -0.86 -2.35 115.95 121.16 2wmy h TRP 142 Ca 0.07 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.93 2wmy h TRP 142 Cb 0.84 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 2wmy h TRP 142 CO 0.06 0.83 0.07 0.00 -3.56 0.00 0.00 178.44 175.85 2wmy h ALA 143 N 1.29 1.12 -0.89 1.49 0.00 -0.68 -1.54 119.26 120.04 2wmy h ALA 143 Ca 0.30 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wmy h ALA 143 Cb 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2wmy h ALA 143 CO -0.05 0.57 0.59 0.93 0.00 0.00 0.00 179.25 181.30 2wmy h GLU 144 N 0.81 1.15 -0.23 0.00 5.08 -0.74 -2.90 114.58 117.76 2wmy h GLU 144 Ca 0.17 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 2wmy h GLU 144 Cb 0.38 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wmy h GLU 144 CO 0.01 0.76 -0.62 0.87 -1.00 0.00 0.00 179.01 179.03 2wmy h LYS 145 N 1.19 0.78 -0.93 2.33 1.79 -0.90 -3.17 116.57 117.66 2wmy h LYS 145 Ca 0.34 -0.53 -0.16 0.00 -2.18 0.00 0.00 60.65 58.11 2wmy h LYS 145 Cb -0.10 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.53 2wmy h LYS 145 CO -0.08 1.16 0.20 1.28 -1.08 0.00 0.00 179.45 180.93 2wmy n LEU 146 N -3.97 4.27 -0.20 2.94 4.77 -0.64 -5.12 117.00 119.05 2wmy n LEU 146 Ca -0.05 -2.22 0.02 0.00 -0.03 0.00 0.00 56.01 53.74 2wmy n LEU 146 Cb 0.66 -0.64 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2wmy n LEU 146 CO 0.50 0.65 0.33 0.61 -1.33 0.00 0.00 177.39 178.15