#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 3.58 -0.09 1.12 0.08 -1.26 -4.90 117.98 116.51 2wmy s PHE 6 Ca 0.00 -1.97 0.15 0.00 0.12 0.00 0.00 56.93 55.23 2wmy s PHE 6 Cb 0.00 -3.69 -0.20 0.00 -0.57 0.00 0.00 43.02 38.56 2wmy s PHE 6 CO 0.00 -0.97 0.64 -3.47 -0.10 0.00 0.00 175.22 171.32 2wmy n ASP 7 N 4.21 0.73 -4.28 1.36 2.03 -1.26 -4.83 116.55 114.52 2wmy n ASP 7 Ca 0.06 0.34 -0.33 0.00 0.52 0.00 0.00 54.79 55.38 2wmy n ASP 7 Cb 0.44 0.21 -0.15 0.00 -0.72 0.00 0.00 41.12 40.89 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 -5.86 3.64 -0.09 1.67 0.01 -1.26 -1.99 113.70 109.82 2wmy s SER 8 Ca -0.05 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.79 2wmy s SER 8 Cb 0.08 -1.55 0.01 0.00 0.21 0.00 0.00 66.02 64.77 2wmy s SER 8 CO 0.82 0.12 -0.18 -0.63 0.41 0.00 0.00 173.24 173.79 2wmy s ILE 9 N 0.60 1.59 -0.28 1.44 1.01 -0.35 -1.37 121.20 123.85 2wmy s ILE 9 Ca -0.09 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 2wmy s ILE 9 Cb -0.16 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2wmy s ILE 9 CO 0.03 0.46 0.03 -0.22 0.00 0.00 0.00 174.94 175.23 2wmy s LEU 10 N 0.62 3.62 -0.20 2.97 2.96 0.67 -1.99 118.68 127.33 2wmy s LEU 10 Ca -0.14 -0.80 -0.17 0.00 -0.22 0.00 0.00 54.13 52.79 2wmy s LEU 10 Cb -0.16 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2wmy s LEU 10 CO 0.04 -0.17 0.47 -0.69 -1.32 0.00 0.00 176.35 174.68 2wmy s VAL 11 N 1.42 5.14 -0.10 1.68 1.01 0.19 -0.87 120.40 128.88 2wmy s VAL 11 Ca 0.01 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.88 2wmy s VAL 11 Cb -0.17 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.42 2wmy s VAL 11 CO -0.00 0.21 -0.16 -0.63 0.00 0.00 0.00 175.10 174.51 2wmy s ILE 12 N 1.51 1.49 0.00 2.22 1.01 0.64 -1.37 121.20 126.70 2wmy s ILE 12 Ca 0.22 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.21 2wmy s ILE 12 Cb -0.15 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.97 2wmy s ILE 12 CO 0.09 0.44 0.00 0.00 0.00 0.00 0.00 174.94 175.47 2wmy n THR 14 N 0.00 0.87 0.22 0.00 -1.04 -1.26 -2.32 114.28 110.75 2wmy n THR 14 Ca 0.00 0.28 0.12 0.00 -2.04 0.00 0.00 64.05 62.41 2wmy n THR 14 Cb 0.00 -1.91 0.33 0.00 -1.82 0.00 0.00 70.33 66.93 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 -0.51 0.00 -4.45 3.41 0.00 -1.93 0.13 103.07 99.72 2wmy h GLY 15 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2wmy h GLY 15 CO 0.00 0.00 -0.51 -2.01 0.00 0.00 0.00 176.54 174.02 2wmy n ASN 16 N -3.16 -4.81 0.00 0.19 4.05 -1.26 -1.62 115.26 108.64 2wmy n ASN 16 Ca 0.02 -0.17 0.00 0.00 0.45 0.00 0.00 54.58 54.88 2wmy n ASN 16 Cb 0.49 -3.97 0.00 0.00 1.23 0.00 0.00 39.78 37.53 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 -4.00 0.00 0.00 -1.44 -5.35 -1.26 -4.42 119.36 102.88 2wmy n ILE 17 Ca -0.11 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2wmy n ILE 17 Cb 0.60 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.29 -0.14 0.00 3.08 -1.95 -3.25 114.38 111.83 2wmy h ARG 19 Ca 0.00 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2wmy h ARG 19 Cb 0.00 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2wmy h ARG 19 CO 0.00 0.09 -0.20 0.66 -1.07 0.00 0.00 179.97 179.44 2wmy h SER 20 N -0.88 0.23 -0.85 7.04 4.64 -1.89 0.46 113.55 122.30 2wmy h SER 20 Ca -0.03 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 2wmy h SER 20 Cb 0.51 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 2wmy h SER 20 CO 0.05 0.45 0.40 -0.65 -0.87 0.00 0.00 176.83 176.20 2wmy h PRO 21 N 0.22 1.23 -0.26 4.77 0.11 -1.85 0.05 132.00 136.27 2wmy h PRO 21 Ca 0.04 -0.19 -0.17 0.00 0.11 0.00 0.00 66.00 65.79 2wmy h PRO 21 Cb 0.49 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2wmy h PRO 21 CO 0.03 0.95 -0.50 0.82 -0.21 0.00 0.00 178.00 179.10 2wmy h ILE 22 N 1.21 1.29 -0.48 4.15 2.04 -1.38 -2.77 117.51 121.57 2wmy h ILE 22 Ca 0.29 -1.69 -0.10 0.00 1.00 0.00 0.00 64.86 64.36 2wmy h ILE 22 Cb 0.14 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 2wmy h ILE 22 CO -0.03 0.54 -0.10 1.23 0.00 0.00 0.00 178.15 179.79 2wmy h GLY 23 N 0.55 0.94 0.98 5.37 0.00 -0.84 -2.39 103.07 107.67 2wmy h GLY 23 Ca 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 2wmy h GLY 23 CO 0.11 0.66 0.26 -2.09 0.00 0.00 0.00 176.54 175.48 2wmy h GLU 24 N 0.78 0.72 -0.04 4.80 4.81 -0.96 -2.05 114.58 122.65 2wmy h GLU 24 Ca 0.13 -0.10 -0.23 0.00 -0.13 0.00 0.00 59.36 59.04 2wmy h GLU 24 Cb 0.61 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.86 2wmy h GLU 24 CO 0.04 0.58 -0.91 0.00 -0.73 0.00 0.00 179.01 178.00 2wmy h ARG 25 N 0.68 0.54 -0.53 1.92 2.47 -1.38 -1.23 114.38 116.85 2wmy h ARG 25 Ca 0.18 -0.54 -0.00 0.00 -1.26 0.00 0.00 59.98 58.36 2wmy h ARG 25 Cb 0.09 0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 2wmy h ARG 25 CO -0.03 1.16 0.33 -0.07 0.56 0.00 0.00 179.97 181.93 2wmy h LEU 26 N 0.33 0.64 -0.88 3.04 3.38 -1.40 -2.78 115.31 117.64 2wmy h LEU 26 Ca -0.08 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2wmy h LEU 26 Cb 1.54 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 2wmy h LEU 26 CO 0.17 0.50 0.13 -0.07 0.09 0.00 0.00 178.44 179.25 2wmy h LEU 27 N 0.72 0.90 -1.10 1.67 3.38 -1.27 -3.10 115.31 116.51 2wmy h LEU 27 Ca 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2wmy h LEU 27 Cb -0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2wmy h LEU 27 CO -0.04 0.89 0.25 0.03 0.09 0.00 0.00 178.44 179.66 2wmy h ARG 28 N 0.91 0.89 -0.00 1.13 3.08 -0.95 0.17 114.38 119.60 2wmy h ARG 28 Ca 0.19 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wmy h ARG 28 Cb 0.36 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2wmy h ARG 28 CO 0.00 0.72 -0.10 2.89 -1.07 0.00 0.00 179.97 182.41 2wmy n ARG 29 N -4.32 0.17 -0.03 0.04 1.85 -1.11 -2.47 116.66 110.79 2wmy n ARG 29 Ca 0.05 -0.03 0.04 0.00 -1.00 0.00 0.00 57.85 56.90 2wmy n ARG 29 Cb 0.16 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.94 2wmy n ARG 29 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2wmy n LEU 30 N -1.38 0.00 -3.13 2.89 4.77 -0.90 -4.63 117.00 114.62 2wmy n LEU 30 Ca 0.09 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 2wmy n LEU 30 Cb 0.31 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2wmy n LEU 30 CO 0.27 0.12 -0.05 0.18 -1.33 0.00 0.00 177.39 176.58 2wmy n LEU 31 N -2.25 2.57 0.17 2.23 4.77 0.54 -4.96 117.00 120.07 2wmy n LEU 31 Ca -0.10 -5.29 0.15 0.00 -0.03 0.00 0.00 56.01 50.74 2wmy n LEU 31 Cb 0.62 0.02 0.74 0.00 -2.33 0.00 0.00 43.42 42.48 2wmy n LEU 31 CO 0.35 2.26 1.14 -0.65 -1.33 0.00 0.00 177.39 179.16 2wmy h PRO 32 N 3.28 0.00 -0.00 3.23 0.11 -1.72 -1.62 132.00 135.27 2wmy h PRO 32 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2wmy h PRO 32 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2wmy h PRO 32 CO 0.67 0.00 -0.12 -1.13 -0.21 0.00 0.00 178.00 177.20 2wmy n SER 33 N -4.17 0.46 -4.90 -2.05 3.41 -1.26 -4.88 113.62 100.23 2wmy n SER 33 Ca 0.02 -0.51 -0.33 0.00 -0.26 0.00 0.00 58.87 57.79 2wmy n SER 33 Cb 0.33 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.52 3.51 -0.41 4.33 1.02 -0.61 -5.06 119.74 120.00 2wmy s LYS 34 Ca 0.27 -0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 2wmy s LYS 34 Cb 0.20 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 2wmy s LYS 34 CO 0.49 0.63 1.16 0.21 -0.92 0.00 0.00 175.35 176.92 2wmy s LYS 35 N -2.02 3.82 -0.11 1.68 2.20 -0.84 -4.99 119.74 119.48 2wmy s LYS 35 Ca 0.30 0.80 0.01 0.00 -0.36 0.00 0.00 55.97 56.72 2wmy s LYS 35 Cb -0.13 -3.87 0.02 0.00 -1.51 0.00 0.00 37.83 32.34 2wmy s LYS 35 CO 0.19 -1.24 -0.12 0.42 -0.36 0.00 0.00 175.35 174.25 2wmy s ILE 36 N 4.32 1.27 0.27 5.43 1.01 -1.26 -1.20 121.20 131.04 2wmy s ILE 36 Ca 0.49 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.70 2wmy s ILE 36 Cb -0.10 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 2wmy s ILE 36 CO 0.26 0.40 0.13 0.59 0.00 0.00 0.00 174.94 176.33 2wmy n ASN 37 N 4.53 0.66 -4.02 3.58 4.13 -0.84 -5.01 115.26 118.28 2wmy n ASN 37 Ca -0.17 -2.55 -0.08 0.00 1.68 0.00 0.00 54.58 53.46 2wmy n ASN 37 Cb 0.51 0.87 -0.09 0.00 -1.54 0.00 0.00 39.78 39.52 2wmy n ASN 37 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2wmy s SER 38 N -2.75 0.30 0.18 6.41 1.04 -1.26 -0.63 113.70 116.99 2wmy s SER 38 Ca 0.19 -0.93 -0.24 0.00 0.48 0.00 0.00 55.95 55.44 2wmy s SER 38 Cb 0.01 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.47 2wmy s SER 38 CO 0.13 -0.70 0.90 0.00 0.98 0.00 0.00 173.24 174.56 2wmy s ALA 39 N -3.94 -1.55 0.03 5.32 0.00 -0.47 -4.74 121.76 116.40 2wmy s ALA 39 Ca 0.11 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.12 2wmy s ALA 39 Cb 0.06 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2wmy s ALA 39 CO -0.07 -1.04 -0.07 0.20 0.00 0.00 0.00 175.76 174.78 2wmy s GLY 40 N -2.94 0.43 0.00 0.00 0.00 -0.45 -2.11 107.32 102.26 2wmy s GLY 40 Ca 0.12 -0.58 0.29 0.00 0.00 0.00 0.00 44.72 44.55 2wmy s GLY 40 CO 0.03 -0.60 1.94 3.33 0.00 0.00 0.00 173.10 177.81 2wmy n VAL 41 N 2.00 0.00 -2.69 1.40 0.24 -0.98 -0.20 118.33 118.10 2wmy n VAL 41 Ca -0.19 -0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.03 2wmy n VAL 41 Cb 0.56 -0.44 0.03 0.00 -1.47 0.00 0.00 33.84 32.52 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 1.42 1.80 3.77 7.63 0.00 0.39 -4.93 105.19 115.26 2wmy n GLY 42 Ca 0.10 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.30 2.82 -0.77 4.61 0.00 -0.72 -4.01 121.76 120.40 2wmy s ALA 43 Ca 0.28 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 2wmy s ALA 43 Cb 0.43 -3.40 0.17 0.00 0.00 0.00 0.00 23.12 20.31 2wmy s ALA 43 CO 0.01 -0.82 0.79 -0.51 0.00 0.00 0.00 175.76 175.24 2wmy s LEU 44 N -3.44 6.09 0.05 0.00 1.43 -0.64 -4.91 118.68 117.26 2wmy s LEU 44 Ca 0.69 -2.21 -0.31 0.00 -1.03 0.00 0.00 54.13 51.27 2wmy s LEU 44 Cb -0.28 -2.27 -0.06 0.00 0.03 0.00 0.00 46.19 43.61 2wmy s LEU 44 CO 0.33 -0.81 1.30 -0.69 0.23 0.00 0.00 176.35 176.72 2wmy s VAL 45 N 1.33 3.75 0.00 -1.59 1.01 -1.26 -2.12 120.40 121.52 2wmy s VAL 45 Ca 0.18 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2wmy s VAL 45 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2wmy s VAL 45 CO -0.05 0.06 0.00 0.47 0.00 0.00 0.00 175.10 175.59 2wmy n ASP 46 N 4.38 -0.33 -4.76 3.32 8.00 0.53 -4.88 116.55 122.81 2wmy n ASP 46 Ca 0.11 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.22 2wmy n ASP 46 Cb 0.44 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 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 -3.43 3.87 0.91 1.24 3.76 -0.90 -4.61 115.29 116.13 2wmy s HIS 47 Ca 0.00 1.86 -0.11 0.00 -0.15 0.00 0.00 55.06 56.66 2wmy s HIS 47 Cb 0.00 -2.95 0.14 0.00 1.11 0.00 0.00 32.58 30.88 2wmy s HIS 47 CO 0.00 0.37 1.09 0.95 -0.85 0.00 0.00 174.74 176.30 2wmy s THR 48 N -1.35 2.60 0.74 1.30 -4.23 -1.26 -1.01 115.64 112.43 2wmy s THR 48 Ca 0.44 0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 60.99 2wmy s THR 48 Cb -0.23 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 71.05 2wmy s THR 48 CO 0.29 -0.25 1.19 0.00 -0.54 0.00 0.00 174.62 175.31 2wmy n ALA 49 N -3.98 0.34 -1.75 3.99 0.00 -1.26 -4.84 120.51 113.01 2wmy n ALA 49 Ca 0.07 -0.19 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 2wmy n ALA 49 Cb 0.55 -2.25 0.03 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.54 3.00 -0.19 0.00 2.03 0.26 -4.82 116.55 114.30 2wmy n ASP 50 Ca 0.14 1.04 -0.06 0.00 0.52 0.00 0.00 54.79 56.43 2wmy n ASP 50 Cb 0.49 -1.59 0.04 0.00 -0.72 0.00 0.00 41.12 39.34 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 1.79 0.69 0.00 -0.67 4.81 -1.90 -0.11 114.58 119.19 2wmy h GLU 51 Ca -0.51 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.62 2wmy h GLU 51 Cb 1.29 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2wmy h GLU 51 CO 0.59 0.46 -0.30 0.77 -0.73 0.00 0.00 179.01 179.80 2wmy h SER 52 N 0.71 0.00 -0.15 1.04 0.02 -1.96 -1.05 113.55 112.15 2wmy h SER 52 Ca 0.21 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2wmy h SER 52 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2wmy h SER 52 CO -0.07 0.30 -0.34 0.00 -1.14 0.00 0.00 176.83 175.58 2wmy h ALA 53 N 1.70 0.25 -0.80 3.77 0.00 -1.64 -2.24 119.26 120.30 2wmy h ALA 53 Ca -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.50 2wmy h ALA 53 Cb 0.62 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2wmy h ALA 53 CO 0.04 0.30 0.53 0.82 0.00 0.00 0.00 179.25 180.94 2wmy h ILE 54 N 0.13 1.17 0.36 0.00 2.04 -0.84 -1.06 117.51 119.31 2wmy h ILE 54 Ca 0.00 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2wmy h ILE 54 Cb 0.94 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2wmy h ILE 54 CO 0.07 0.19 -0.17 -0.09 0.00 0.00 0.00 178.15 178.15 2wmy h ARG 55 N 1.04 -0.47 0.00 2.37 2.43 -1.09 -1.04 114.38 117.62 2wmy h ARG 55 Ca 0.31 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.45 2wmy h ARG 55 Cb -0.05 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2wmy h ARG 55 CO -0.08 -0.23 -0.27 -0.24 -1.51 0.00 0.00 179.97 177.63 2wmy h VAL 56 N -0.62 0.90 0.58 0.20 3.04 -1.27 -1.51 116.25 117.57 2wmy h VAL 56 Ca -0.05 -1.06 -0.03 0.00 -1.01 0.00 0.00 66.70 64.56 2wmy h VAL 56 Cb 0.45 1.62 0.01 0.00 -2.01 0.00 0.00 31.29 31.36 2wmy h VAL 56 CO 0.08 0.27 -0.28 0.00 -1.01 0.00 0.00 177.57 176.63 2wmy h ALA 57 N 1.73 -0.77 -0.68 3.17 0.00 -1.06 -3.12 119.26 118.53 2wmy h ALA 57 Ca -0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.83 2wmy h ALA 57 Cb 0.60 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 2wmy h ALA 57 CO 0.04 -0.74 0.29 1.49 0.00 0.00 0.00 179.25 180.32 2wmy h GLU 58 N -1.16 0.47 -0.30 0.00 4.57 -0.73 0.31 114.58 117.75 2wmy h GLU 58 Ca -0.08 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.16 2wmy h GLU 58 Cb 0.62 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2wmy h GLU 58 CO 0.13 0.31 0.46 -0.22 -1.18 0.00 0.00 179.01 178.51 2wmy h LYS 59 N 0.49 0.00 -0.18 1.92 3.64 -1.35 -0.95 116.57 120.15 2wmy h LYS 59 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2wmy h LYS 59 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2wmy h LYS 59 CO -0.32 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 176.95 2wmy n ASN 60 N -3.39 2.78 -0.66 4.20 4.13 0.90 -4.96 115.26 118.25 2wmy n ASN 60 Ca 0.05 -2.39 -0.07 0.00 1.68 0.00 0.00 54.58 53.85 2wmy n ASN 60 Cb 0.60 -0.26 -0.02 0.00 -1.54 0.00 0.00 39.78 38.55 2wmy n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wmy n GLY 61 N -0.30 0.65 3.57 7.41 0.00 -0.36 -5.02 105.19 111.14 2wmy n GLY 61 Ca 0.11 -0.67 -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 -1.82 3.43 -0.16 0.99 2.96 -0.03 -4.98 118.68 119.07 2wmy s LEU 62 Ca 0.00 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2wmy s LEU 62 Cb 0.00 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2wmy s LEU 62 CO 0.00 0.22 -0.11 0.00 -1.32 0.00 0.00 176.35 175.15 2wmy n LEU 64 N 4.01 5.56 -4.74 0.00 4.77 -1.26 -4.99 117.00 120.34 2wmy n LEU 64 Ca -0.18 -3.33 -0.41 0.00 -0.03 0.00 0.00 56.01 52.05 2wmy n LEU 64 Cb 0.52 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2wmy n LEU 64 CO 0.30 0.89 1.18 -0.54 -1.33 0.00 0.00 177.39 177.89 2wmy s LYS 65 N -3.05 4.20 0.00 3.23 -0.14 -1.26 -2.49 119.74 120.22 2wmy s LYS 65 Ca 0.52 2.43 0.00 0.00 -1.36 0.00 0.00 55.97 57.56 2wmy s LYS 65 Cb 0.43 -3.08 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 2wmy s LYS 65 CO 0.10 -0.53 0.00 0.41 -0.76 0.00 0.00 175.35 174.57 2wmy n GLY 66 N 2.42 0.76 3.75 -3.33 0.00 -1.26 -5.03 105.19 102.50 2wmy n GLY 66 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.87 3.35 -0.04 1.61 5.04 -1.04 -5.03 115.29 116.32 2wmy s HIS 67 Ca 0.00 1.46 0.01 0.00 -1.54 0.00 0.00 55.06 54.99 2wmy s HIS 67 Cb 0.00 -3.48 0.02 0.00 0.04 0.00 0.00 32.58 29.17 2wmy s HIS 67 CO 0.00 -1.29 -0.02 0.50 -2.34 0.00 0.00 174.74 171.59 2wmy s ARG 68 N -0.92 0.58 0.17 2.88 3.52 -1.26 -4.35 118.95 119.56 2wmy s ARG 68 Ca 0.50 -0.01 -0.32 0.00 -0.13 0.00 0.00 55.73 55.77 2wmy s ARG 68 Cb -0.35 -0.69 -0.12 0.00 -1.56 0.00 0.00 34.95 32.24 2wmy s ARG 68 CO 0.42 -0.12 1.76 0.41 -0.81 0.00 0.00 175.30 176.95 2wmy n GLY 69 N 4.16 1.55 2.99 8.12 0.00 -0.18 -4.77 105.19 117.06 2wmy n GLY 69 Ca -0.24 0.66 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 2wmy n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wmy s THR 70 N 1.75 0.55 0.06 2.61 -4.23 -1.26 -0.34 115.64 114.78 2wmy s THR 70 Ca 0.78 -0.30 -0.28 0.00 -1.18 0.00 0.00 61.69 60.71 2wmy s THR 70 Cb -0.52 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 72.81 2wmy s THR 70 CO 0.35 0.16 0.89 -0.75 -0.54 0.00 0.00 174.62 174.73 2wmy s LYS 71 N -0.16 4.60 0.14 3.99 2.20 -1.26 -1.34 119.74 127.90 2wmy s LYS 71 Ca 0.03 1.30 -0.31 0.00 -0.36 0.00 0.00 55.97 56.63 2wmy s LYS 71 Cb -0.03 -3.40 -0.08 0.00 -1.51 0.00 0.00 37.83 32.82 2wmy s LYS 71 CO -0.00 0.17 1.29 0.12 -0.36 0.00 0.00 175.35 176.57 2wmy s PHE 72 N 0.25 3.32 0.06 4.03 5.36 0.71 -4.73 117.98 126.99 2wmy s PHE 72 Ca 0.45 1.18 0.01 0.00 -0.96 0.00 0.00 56.93 57.61 2wmy s PHE 72 Cb -0.22 -3.56 -0.03 0.00 -0.34 0.00 0.00 43.02 38.87 2wmy s PHE 72 CO 0.27 -1.80 -0.06 0.95 -1.46 0.00 0.00 175.22 173.12 2wmy s THR 73 N 0.64 0.49 0.21 0.12 -4.23 -1.26 -4.86 115.64 106.74 2wmy s THR 73 Ca 0.59 -1.49 -0.16 0.00 -1.18 0.00 0.00 61.69 59.45 2wmy s THR 73 Cb -0.34 -1.11 0.21 0.00 1.34 0.00 0.00 72.50 72.60 2wmy s THR 73 CO 0.33 -0.68 1.60 -1.28 -0.54 0.00 0.00 174.62 174.05 2wmy h SER 74 N 3.73 -0.89 -0.67 3.99 0.87 -1.97 -0.98 113.55 117.64 2wmy h SER 74 Ca -0.35 0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2wmy h SER 74 Cb 1.18 0.50 -0.06 0.00 -0.44 0.00 0.00 62.40 63.58 2wmy h SER 74 CO 0.54 -0.27 0.35 0.00 -0.53 0.00 0.00 176.83 176.92 2wmy h ALA 75 N 1.39 0.91 -0.42 6.23 0.00 -1.96 -2.24 119.26 123.17 2wmy h ALA 75 Ca 0.29 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2wmy h ALA 75 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2wmy h ALA 75 CO -0.71 -0.01 -0.19 1.25 0.00 0.00 0.00 179.25 179.58 2wmy h LEU 76 N 0.62 0.83 -1.83 0.00 5.85 -1.74 -3.01 115.31 116.04 2wmy h LEU 76 Ca 0.32 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2wmy h LEU 76 Cb 0.27 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2wmy h LEU 76 CO -0.22 1.01 -0.11 0.00 -0.34 0.00 0.00 178.44 178.77 2wmy h ALA 77 N 1.06 1.75 0.00 1.25 0.00 -0.60 -2.73 119.26 119.99 2wmy h ALA 77 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wmy h ALA 77 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2wmy h ALA 77 CO 0.05 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.44 2wmy h ARG 78 N 0.00 0.00 -0.65 0.00 3.08 -1.36 -2.09 114.38 113.36 2wmy h ARG 78 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wmy h ARG 78 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2wmy h ARG 78 CO 0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 2wmy n GLN 79 N -2.60 3.48 -4.93 0.04 10.64 -1.03 -4.91 117.38 118.06 2wmy n GLN 79 Ca 0.00 -2.82 -0.27 0.00 -1.83 0.00 0.00 57.00 52.09 2wmy n GLN 79 Cb 0.20 -1.80 -0.15 0.00 -0.86 0.00 0.00 30.24 27.62 2wmy n GLN 79 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2wmy s TYR 80 N -1.65 1.89 -0.03 2.61 2.02 -0.79 -4.92 117.35 116.48 2wmy s TYR 80 Ca 0.50 -0.36 0.12 0.00 -0.37 0.00 0.00 57.07 56.96 2wmy s TYR 80 Cb 0.31 -1.19 -0.19 0.00 -0.40 0.00 0.00 41.96 40.49 2wmy s TYR 80 CO 0.26 0.01 0.88 -0.44 -1.57 0.00 0.00 175.55 174.69 2wmy h ASP 81 N 5.39 0.00 -3.50 2.29 3.32 -1.51 -3.46 116.42 118.95 2wmy h ASP 81 Ca -0.40 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.33 2wmy h ASP 81 Cb 1.14 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.35 2wmy h ASP 81 CO 0.47 0.88 -0.74 -0.22 -1.72 0.00 0.00 179.24 177.91 2wmy s LEU 82 N -6.18 1.06 -0.20 1.55 2.96 -0.51 -4.88 118.68 112.48 2wmy s LEU 82 Ca -0.02 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 2wmy s LEU 82 Cb 0.09 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.63 2wmy s LEU 82 CO 0.82 -0.13 0.03 -0.76 -1.32 0.00 0.00 176.35 174.99 2wmy s LEU 83 N 1.11 3.46 -0.23 -0.68 1.02 -0.70 -0.24 118.68 122.41 2wmy s LEU 83 Ca -0.09 -0.11 -0.02 0.00 0.02 0.00 0.00 54.13 53.93 2wmy s LEU 83 Cb -0.13 -1.88 0.01 0.00 0.02 0.00 0.00 46.19 44.21 2wmy s LEU 83 CO -0.03 0.09 -0.06 -0.76 0.02 0.00 0.00 176.35 175.61 2wmy s LEU 84 N 0.85 3.01 0.19 1.79 1.43 -0.05 -0.27 118.68 125.64 2wmy s LEU 84 Ca 0.02 -0.70 0.06 0.00 -1.03 0.00 0.00 54.13 52.48 2wmy s LEU 84 Cb -0.14 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2wmy s LEU 84 CO 0.02 -0.09 0.12 0.68 0.23 0.00 0.00 176.35 177.32 2wmy s VAL 85 N 1.37 4.30 0.03 -1.59 -7.23 -0.31 -0.26 120.40 116.72 2wmy s VAL 85 Ca 0.02 -1.25 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 2wmy s VAL 85 Cb -0.16 -3.23 -0.31 0.00 0.56 0.00 0.00 36.38 33.25 2wmy s VAL 85 CO -0.05 -0.18 0.99 0.24 -0.31 0.00 0.00 175.10 175.80 2wmy h MET 86 N 2.22 0.37 -5.79 4.82 0.00 -1.79 0.18 114.93 114.94 2wmy h MET 86 Ca -0.48 -0.63 -0.49 0.00 0.00 0.00 0.00 59.70 58.11 2wmy h MET 86 Cb 1.21 0.23 -0.21 0.00 0.00 0.00 0.00 31.60 32.84 2wmy h MET 86 CO 0.62 1.28 -0.80 -1.21 0.00 0.00 0.00 176.91 176.80 2wmy s GLU 87 N -2.62 1.04 0.32 1.72 2.02 -1.26 -1.29 118.70 118.62 2wmy s GLU 87 Ca -0.08 -1.15 0.09 0.00 0.02 0.00 0.00 54.97 53.85 2wmy s GLU 87 Cb 0.06 -1.15 0.87 0.00 0.10 0.00 0.00 34.13 34.01 2wmy s GLU 87 CO 0.90 0.25 1.73 1.88 0.02 0.00 0.00 175.26 180.04 2wmy h TYR 88 N 3.95 1.00 0.00 1.61 0.05 -1.95 -0.29 116.97 121.33 2wmy h TYR 88 Ca -0.43 0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.34 2wmy h TYR 88 Cb 1.19 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 2wmy h TYR 88 CO 0.63 0.07 -0.21 0.66 -1.05 0.00 0.00 178.16 178.27 2wmy h SER 89 N 0.58 0.00 0.28 3.88 4.64 -2.01 -1.63 113.55 119.30 2wmy h SER 89 Ca 0.64 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.91 2wmy h SER 89 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2wmy h SER 89 CO -0.47 0.21 -0.20 0.45 -0.87 0.00 0.00 176.83 175.95 2wmy h HIS 90 N 0.00 0.00 -0.07 4.77 3.86 -1.45 -2.90 115.15 119.36 2wmy h HIS 90 Ca -0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2wmy h HIS 90 Cb 0.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2wmy h HIS 90 CO 0.00 0.20 -0.04 -0.07 0.86 0.00 0.00 177.93 178.88 2wmy h LEU 91 N 0.00 -0.12 -0.82 2.43 3.38 -1.32 0.37 115.31 119.24 2wmy h LEU 91 Ca -0.00 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2wmy h LEU 91 Cb 0.39 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 2wmy h LEU 91 CO 0.03 -0.05 0.50 -0.33 0.09 0.00 0.00 178.44 178.68 2wmy h GLU 92 N -0.03 0.90 0.06 1.13 4.39 -1.63 -0.24 114.58 119.16 2wmy h GLU 92 Ca 0.04 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2wmy h GLU 92 Cb 0.09 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2wmy h GLU 92 CO -0.09 0.60 -0.03 1.96 -1.16 0.00 0.00 179.01 180.29 2wmy h GLN 93 N 0.93 -0.08 -0.78 2.33 4.20 -1.10 0.18 115.11 120.78 2wmy h GLN 93 Ca 0.35 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.20 2wmy h GLN 93 Cb 0.15 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 2wmy h GLN 93 CO -0.16 0.06 0.51 0.82 -0.67 0.00 0.00 178.83 179.39 2wmy h ILE 94 N -0.20 0.85 -0.19 2.54 5.03 -0.07 0.33 117.51 125.80 2wmy h ILE 94 Ca -0.01 -0.19 -0.02 0.00 -0.12 0.00 0.00 64.86 64.52 2wmy h ILE 94 Cb 0.18 0.24 -0.01 0.00 -3.03 0.00 0.00 36.82 34.20 2wmy h ILE 94 CO 0.01 0.10 0.05 0.28 -0.68 0.00 0.00 178.15 177.92 2wmy h SER 95 N 0.56 0.28 0.46 1.72 0.02 -0.17 0.98 113.55 117.39 2wmy h SER 95 Ca 0.38 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2wmy h SER 95 Cb 0.69 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 2wmy h SER 95 CO -0.14 0.43 -0.27 0.03 -1.14 0.00 0.00 176.83 175.73 2wmy h ARG 96 N 0.12 -0.66 -0.53 3.45 2.47 0.33 -3.05 114.38 116.50 2wmy h ARG 96 Ca 0.06 0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.71 2wmy h ARG 96 Cb 0.25 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 2wmy h ARG 96 CO -0.00 -0.44 -0.12 0.82 0.56 0.00 0.00 179.97 180.79 2wmy h ILE 97 N -0.69 1.27 -2.13 2.04 2.04 -0.41 -3.37 117.51 116.27 2wmy h ILE 97 Ca -0.06 -1.28 -0.57 0.00 1.00 0.00 0.00 64.86 63.95 2wmy h ILE 97 Cb 0.55 1.00 -0.39 0.00 -0.74 0.00 0.00 36.82 37.24 2wmy h ILE 97 CO 0.07 0.45 -1.04 0.00 0.00 0.00 0.00 178.15 177.63 2wmy n ALA 98 N -2.50 2.64 -0.08 1.87 0.00 0.34 -4.32 120.51 118.46 2wmy n ALA 98 Ca 0.01 -3.40 0.15 0.00 0.00 0.00 0.00 53.44 50.21 2wmy n ALA 98 Cb 0.41 -0.80 0.55 0.00 0.00 0.00 0.00 19.45 19.61 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 4.49 0.29 -0.02 0.00 0.11 -1.57 0.40 132.00 135.69 2wmy h PRO 99 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2wmy h PRO 99 Cb 0.88 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2wmy h PRO 99 CO 0.46 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 2wmy n GLU 100 N -4.45 1.38 -0.00 1.05 0.28 -1.26 -3.17 120.64 114.47 2wmy n GLU 100 Ca 0.11 -0.55 0.09 0.00 -0.16 0.00 0.00 57.16 56.65 2wmy n GLU 100 Cb 0.47 -1.47 -0.12 0.00 1.43 0.00 0.00 31.44 31.76 2wmy n GLU 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wmy n ALA 101 N -0.31 4.17 -0.25 -1.84 0.00 0.13 -4.54 120.51 117.86 2wmy n ALA 101 Ca 0.20 -0.54 0.05 0.00 0.00 0.00 0.00 53.44 53.16 2wmy n ALA 101 Cb 0.24 -0.71 0.29 0.00 0.00 0.00 0.00 19.45 19.27 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 0.88 0.00 0.00 9.65 -1.56 -1.26 114.38 122.09 2wmy h ARG 102 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2wmy h ARG 102 Cb 0.56 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2wmy h ARG 102 CO 0.00 0.58 0.00 0.41 2.80 0.00 0.00 179.97 183.76 2wmy n GLY 103 N -1.42 -0.95 0.39 2.80 0.00 -1.26 -1.80 105.19 102.96 2wmy n GLY 103 Ca 0.12 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.92 1.35 -4.38 1.61 2.85 -0.48 -5.02 118.16 112.16 2wmy n LYS 104 Ca 0.01 -2.88 -0.34 0.00 -1.05 0.00 0.00 58.31 54.06 2wmy n LYS 104 Cb 0.12 -1.48 -0.12 0.00 -0.65 0.00 0.00 35.03 32.90 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 -2.88 3.85 0.22 0.58 2.01 -0.74 -1.72 115.64 116.96 2wmy s THR 105 Ca 0.34 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.99 2wmy s THR 105 Cb 0.32 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 2wmy s THR 105 CO -0.03 0.49 0.03 -0.04 -0.69 0.00 0.00 174.62 174.38 2wmy s MET 106 N 0.43 1.28 0.13 4.92 -1.94 0.63 -4.97 119.30 119.78 2wmy s MET 106 Ca -0.04 -1.65 -0.30 0.00 -1.71 0.00 0.00 55.69 51.99 2wmy s MET 106 Cb -0.14 -0.41 -0.07 0.00 2.01 0.00 0.00 34.83 36.23 2wmy s MET 106 CO 0.03 -0.16 1.07 -0.51 -0.01 0.00 0.00 175.02 175.43 2wmy s LEU 107 N -3.26 4.47 0.30 -0.03 1.43 -1.26 -1.16 118.68 119.16 2wmy s LEU 107 Ca 0.29 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 2wmy s LEU 107 Cb 0.06 -3.59 0.63 0.00 0.03 0.00 0.00 46.19 43.32 2wmy s LEU 107 CO 0.08 -0.21 1.82 0.15 0.23 0.00 0.00 176.35 178.43 2wmy h PHE 108 N 5.54 1.09 -0.40 0.29 3.57 -0.88 -0.65 116.94 125.50 2wmy h PHE 108 Ca -0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2wmy h PHE 108 Cb 1.21 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2wmy h PHE 108 CO 0.64 0.38 0.00 0.41 -2.23 0.00 0.00 178.31 177.51 2wmy n GLY 109 N -1.35 2.00 0.50 2.40 0.00 -1.23 -4.60 105.19 102.90 2wmy n GLY 109 Ca 0.20 -0.56 0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 2.61 0.24 -0.49 1.61 6.17 -1.31 0.37 115.15 124.34 2wmy h HIS 110 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 2wmy h HIS 110 Cb 1.15 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 31.02 2wmy h HIS 110 CO 0.56 0.00 0.00 0.91 0.71 0.00 0.00 177.93 180.11 2wmy n TRP 111 N -4.34 0.65 -3.05 5.26 7.02 -1.26 -4.92 117.44 116.80 2wmy n TRP 111 Ca 0.27 -0.33 -0.18 0.00 -1.02 0.00 0.00 57.50 56.25 2wmy n TRP 111 Cb 1.19 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 30.09 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 -1.05 3.68 0.08 -0.99 1.43 0.12 -5.03 118.68 116.91 2wmy s LEU 112 Ca 0.34 -0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 52.91 2wmy s LEU 112 Cb 0.18 -2.70 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 2wmy s LEU 112 CO 0.24 -0.74 1.54 0.44 0.23 0.00 0.00 176.35 178.06 2wmy h ASP 113 N 0.63 0.33 -3.57 2.29 3.32 -1.91 -3.38 116.42 114.13 2wmy h ASP 113 Ca -0.41 -0.27 -0.67 0.00 0.02 0.00 0.00 57.03 55.71 2wmy h ASP 113 Cb 1.28 -0.09 -0.26 0.00 0.22 0.00 0.00 39.33 40.48 2wmy h ASP 113 CO 0.47 0.51 -0.65 -0.55 -1.72 0.00 0.00 179.24 177.30 2wmy s SER 114 N -5.79 4.92 0.27 6.45 0.15 -1.26 -5.02 113.70 113.42 2wmy s SER 114 Ca -0.14 -0.54 0.08 0.00 0.70 0.00 0.00 55.95 56.04 2wmy s SER 114 Cb 0.07 -1.85 0.35 0.00 -1.71 0.00 0.00 66.02 62.88 2wmy s SER 114 CO 0.73 -0.12 1.62 0.11 1.20 0.00 0.00 173.24 176.77 2wmy h LYS 115 N 8.20 0.13 -6.71 5.44 1.57 -1.77 -3.45 116.57 119.98 2wmy h LYS 115 Ca -0.35 -0.08 -0.52 0.00 -1.87 0.00 0.00 60.65 57.83 2wmy h LYS 115 Cb 1.14 0.01 0.03 0.00 0.08 0.00 0.00 32.23 33.49 2wmy h LYS 115 CO 0.60 0.66 0.58 -1.21 -0.57 0.00 0.00 179.45 179.51 2wmy s GLU 116 N -3.77 4.47 -0.44 3.15 2.02 -1.26 -3.56 118.70 119.29 2wmy s GLU 116 Ca -0.03 1.95 -0.20 0.00 0.02 0.00 0.00 54.97 56.71 2wmy s GLU 116 Cb 0.13 -3.20 0.03 0.00 0.10 0.00 0.00 34.13 31.18 2wmy s GLU 116 CO 0.78 -0.10 0.61 0.42 0.02 0.00 0.00 175.26 176.98 2wmy s ILE 117 N -0.27 4.87 0.56 -1.63 -1.09 -0.41 -4.99 121.20 118.24 2wmy s ILE 117 Ca 0.52 -0.02 -0.21 0.00 -2.23 0.00 0.00 60.65 58.71 2wmy s ILE 117 Cb -0.34 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.30 2wmy s ILE 117 CO 0.39 -0.59 1.20 -2.65 -1.23 0.00 0.00 174.94 172.06 2wmy n PRO 118 N 6.15 1.37 -2.84 2.79 -0.02 -1.26 -4.64 135.00 136.55 2wmy n PRO 118 Ca -0.03 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 2wmy n PRO 118 Cb 0.48 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 2wmy n PRO 118 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wmy s ASP 119 N -1.03 6.82 0.07 2.55 2.15 -1.26 -4.93 116.67 121.05 2wmy s ASP 119 Ca 0.73 0.95 0.25 0.00 0.43 0.00 0.00 52.55 54.91 2wmy s ASP 119 Cb -0.43 -2.46 0.46 0.00 -0.30 0.00 0.00 42.92 40.19 2wmy s ASP 119 CO 0.49 -0.63 1.39 -0.81 -0.17 0.00 0.00 175.17 175.44 2wmy n PRO 120 N 6.25 0.17 -1.64 4.34 -0.05 -1.26 -4.96 135.00 137.86 2wmy n PRO 120 Ca 0.07 0.05 -0.50 0.00 -0.05 0.00 0.00 63.50 63.07 2wmy n PRO 120 Cb 0.47 -1.61 -0.05 0.00 -0.05 0.00 0.00 33.50 32.26 2wmy n PRO 120 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 175.50 176.43 2wmy n TYR 121 N -1.87 1.94 -0.94 0.54 9.36 -1.26 -0.64 117.16 124.30 2wmy n TYR 121 Ca 0.04 0.42 0.00 0.00 3.32 0.00 0.00 57.90 61.68 2wmy n TYR 121 Cb 0.40 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 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 3.66 0.00 -2.91 2.98 1.74 -1.26 -5.02 116.66 115.85 2wmy n ARG 122 Ca 0.19 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.08 2wmy n ARG 122 Cb 0.23 -2.39 0.04 0.00 -1.02 0.00 0.00 32.46 29.32 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 2.46 0.82 5.56 -1.94 0.19 -5.11 119.30 121.22 2wmy s MET 123 Ca 0.00 -1.29 -0.07 0.00 -1.71 0.00 0.00 55.69 52.62 2wmy s MET 123 Cb 0.00 -2.62 0.15 0.00 2.01 0.00 0.00 34.83 34.37 2wmy s MET 123 CO 0.00 -0.69 1.13 -1.54 -0.01 0.00 0.00 175.02 173.91 2wmy s SER 124 N -4.52 3.86 0.37 3.03 1.04 -1.26 -4.89 113.70 111.33 2wmy s SER 124 Ca 0.59 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 57.02 2wmy s SER 124 Cb -0.08 -0.19 0.76 0.00 0.10 0.00 0.00 66.02 66.62 2wmy s SER 124 CO 0.37 -2.21 1.96 0.44 0.98 0.00 0.00 173.24 174.78 2wmy h ASP 125 N -1.00 0.64 -0.90 7.02 3.32 -1.98 -1.74 116.42 121.78 2wmy h ASP 125 Ca -0.40 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 2wmy h ASP 125 Cb 1.26 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 2wmy h ASP 125 CO 0.40 0.41 0.52 -0.33 -1.72 0.00 0.00 179.24 178.52 2wmy h GLU 126 N 0.73 1.24 -0.55 3.56 3.07 -1.98 0.51 114.58 121.16 2wmy h GLU 126 Ca 0.30 -0.13 0.06 0.00 -0.50 0.00 0.00 59.36 59.09 2wmy h GLU 126 Cb 0.26 -0.25 -0.05 0.00 -0.84 0.00 0.00 28.75 27.87 2wmy h GLU 126 CO -0.10 0.89 0.26 0.00 -1.40 0.00 0.00 179.01 178.66 2wmy h ALA 127 N 1.28 0.71 -0.14 3.43 0.00 -1.68 -0.23 119.26 122.63 2wmy h ALA 127 Ca 0.32 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 2wmy h ALA 127 Cb -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wmy h ALA 127 CO -0.06 -0.10 -0.50 0.74 0.00 0.00 0.00 179.25 179.34 2wmy h PHE 128 N 0.50 0.47 -0.01 0.00 0.04 -1.04 -1.69 116.94 115.20 2wmy h PHE 128 Ca 0.25 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.87 2wmy h PHE 128 Cb 0.19 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 2wmy h PHE 128 CO -0.11 0.81 -0.02 -0.44 -0.60 0.00 0.00 178.31 177.94 2wmy h ASP 129 N 0.30 -0.06 -0.26 2.17 3.32 0.42 -1.75 116.42 120.56 2wmy h ASP 129 Ca 0.01 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2wmy h ASP 129 Cb 0.99 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2wmy h ASP 129 CO 0.08 -0.03 0.05 0.28 -1.72 0.00 0.00 179.24 177.90 2wmy h SER 130 N -0.03 0.40 -0.22 6.45 0.02 -0.93 -2.53 113.55 116.71 2wmy h SER 130 Ca 0.01 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 2wmy h SER 130 Cb 0.05 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2wmy h SER 130 CO -0.03 0.55 0.02 0.58 -1.14 0.00 0.00 176.83 176.82 2wmy h VAL 131 N 0.24 1.18 -0.35 2.27 2.07 -1.31 -1.43 116.25 118.92 2wmy h VAL 131 Ca 0.08 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2wmy h VAL 131 Cb 0.32 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2wmy h VAL 131 CO 0.00 0.24 0.16 0.22 0.02 0.00 0.00 177.57 178.21 2wmy h TYR 132 N 0.47 0.51 -0.61 1.57 3.20 -1.14 0.16 116.97 121.14 2wmy h TYR 132 Ca 0.11 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2wmy h TYR 132 Cb 0.27 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2wmy h TYR 132 CO 0.01 0.45 0.20 0.37 -1.64 0.00 0.00 178.16 177.55 2wmy h GLN 133 N 0.42 0.94 -0.71 1.82 5.75 -1.00 0.17 115.11 122.50 2wmy h GLN 133 Ca 0.12 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 2wmy h GLN 133 Cb 0.14 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2wmy h GLN 133 CO -0.01 0.83 0.23 -0.07 -2.65 0.00 0.00 178.83 177.15 2wmy h LEU 134 N 0.86 1.03 -0.75 -2.39 3.38 -1.14 -0.24 115.31 116.05 2wmy h LEU 134 Ca 0.20 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2wmy h LEU 134 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2wmy h LEU 134 CO -0.01 0.96 0.23 -0.07 0.09 0.00 0.00 178.44 179.64 2wmy h LEU 135 N 1.04 1.10 -0.14 1.67 3.38 -0.51 -1.14 115.31 120.71 2wmy h LEU 135 Ca 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wmy h LEU 135 Cb 0.29 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wmy h LEU 135 CO -0.01 1.02 -0.01 -0.08 0.09 0.00 0.00 178.44 179.45 2wmy h GLU 136 N 1.12 0.26 -0.52 1.13 4.81 -0.21 -0.87 114.58 120.30 2wmy h GLU 136 Ca 0.24 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2wmy h GLU 136 Cb 0.31 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2wmy h GLU 136 CO -0.01 0.50 0.29 0.37 -0.73 0.00 0.00 179.01 179.44 2wmy h GLN 137 N -0.02 0.72 -0.86 1.92 5.75 -0.96 -1.42 115.11 120.24 2wmy h GLN 137 Ca 0.04 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2wmy h GLN 137 Cb 0.39 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.74 2wmy h GLN 137 CO 0.01 0.55 0.55 0.00 -2.65 0.00 0.00 178.83 177.28 2wmy h ALA 138 N 1.13 1.16 -0.24 3.38 0.00 -1.09 -2.39 119.26 121.20 2wmy h ALA 138 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2wmy h ALA 138 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2wmy h ALA 138 CO -0.03 0.35 0.12 0.77 0.00 0.00 0.00 179.25 180.46 2wmy h SER 139 N 1.03 0.31 -0.89 0.00 0.02 -0.55 -0.23 113.55 113.25 2wmy h SER 139 Ca 0.36 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.24 2wmy h SER 139 Cb 0.08 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 2wmy h SER 139 CO -0.14 0.33 0.58 0.11 -1.14 0.00 0.00 176.83 176.57 2wmy h LYS 140 N 0.27 1.06 -0.05 3.45 1.57 -0.98 0.20 116.57 122.08 2wmy h LYS 140 Ca 0.08 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.59 2wmy h LYS 140 Cb 0.09 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2wmy h LYS 140 CO -0.01 0.70 -0.82 0.00 -0.57 0.00 0.00 179.45 178.74 2wmy h ARG 141 N 1.09 0.45 -0.43 3.15 3.08 -1.13 -2.04 114.38 118.54 2wmy h ARG 141 Ca 0.36 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 2wmy h ARG 141 Cb 0.05 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2wmy h ARG 141 CO -0.11 1.06 0.06 -1.49 -1.07 0.00 0.00 179.97 178.41 2wmy h TRP 142 N 0.29 0.78 -0.30 3.04 4.06 -0.63 -2.05 115.95 121.13 2wmy h TRP 142 Ca -0.05 -0.11 0.05 0.00 2.06 0.00 0.00 58.89 60.84 2wmy h TRP 142 Cb 1.43 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 29.33 2wmy h TRP 142 CO 0.06 0.75 -0.02 0.00 -3.56 0.00 0.00 178.44 175.67 2wmy h ALA 143 N 0.93 0.25 -0.67 1.49 0.00 -0.93 -2.16 119.26 118.17 2wmy h ALA 143 Ca 0.13 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2wmy h ALA 143 Cb 0.40 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2wmy h ALA 143 CO 0.01 -0.42 0.40 1.49 0.00 0.00 0.00 179.25 180.73 2wmy h GLU 144 N 0.07 0.75 0.00 0.00 4.81 -1.24 -2.05 114.58 116.91 2wmy h GLU 144 Ca 0.15 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2wmy h GLU 144 Cb 0.20 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2wmy h GLU 144 CO -0.26 0.50 -0.04 0.87 -0.73 0.00 0.00 179.01 179.35 2wmy h LYS 145 N 0.77 0.00 -0.02 1.92 1.79 -0.94 -3.51 116.57 116.58 2wmy h LYS 145 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 2wmy h LYS 145 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2wmy h LYS 145 CO -0.13 0.04 0.00 1.28 -1.08 0.00 0.00 179.45 179.55