#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mw4 n SER 2 N 0.00 -1.24 -4.71 1.61 2.88 -1.26 -5.11 113.62 105.80 1mw4 n SER 2 Ca 0.00 0.39 -0.43 0.00 -1.33 0.00 0.00 58.87 57.50 1mw4 n SER 2 Cb 0.00 1.33 -0.03 0.00 -0.75 0.00 0.00 64.21 64.76 1mw4 n SER 2 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1mw4 n PRO 3 N -3.02 2.65 -3.97 -1.46 -0.04 -1.26 -4.99 135.00 122.91 1mw4 n PRO 3 Ca 0.00 0.96 -0.10 0.00 -0.04 0.00 0.00 63.50 64.32 1mw4 n PRO 3 Cb 0.00 -2.79 -0.06 0.00 -0.04 0.00 0.00 33.50 30.61 1mw4 n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mw4 s ALA 4 N 1.31 -0.14 -0.16 0.55 0.00 -1.26 -5.17 121.76 116.89 1mw4 s ALA 4 Ca 0.77 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 1mw4 s ALA 4 Cb -0.54 1.00 0.07 0.00 0.00 0.00 0.00 23.12 23.65 1mw4 s ALA 4 CO 0.34 -0.76 0.36 -1.54 0.00 0.00 0.00 175.76 174.16 1mw4 s SER 5 N -2.99 -0.15 0.00 0.00 1.04 -1.26 -4.88 113.70 105.45 1mw4 s SER 5 Ca 0.20 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1mw4 s SER 5 Cb 0.01 0.96 0.00 0.00 0.10 0.00 0.00 66.02 67.09 1mw4 s SER 5 CO 0.05 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1mw4 n GLY 6 N 5.02 -1.08 3.34 7.32 0.00 -1.26 -5.18 105.19 113.34 1mw4 n GLY 6 Ca -0.13 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1mw4 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mw4 s THR 7 N 0.00 0.08 -0.18 2.61 2.01 -1.26 -5.15 115.64 113.75 1mw4 s THR 7 Ca 0.00 -1.09 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 1mw4 s THR 7 Cb 0.00 -1.57 0.06 0.00 0.01 0.00 0.00 72.50 71.00 1mw4 s THR 7 CO 0.00 -0.35 0.03 -0.44 -0.69 0.00 0.00 174.62 173.18 1mw4 s SER 8 N -2.90 2.72 0.21 3.53 0.01 -1.26 -5.13 113.70 110.88 1mw4 s SER 8 Ca 0.11 -0.72 -0.05 0.00 1.31 0.00 0.00 55.95 56.60 1mw4 s SER 8 Cb 0.03 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 1mw4 s SER 8 CO -0.05 -0.29 0.23 -0.76 0.41 0.00 0.00 173.24 172.78 1mw4 s LEU 9 N 1.88 0.93 -0.01 2.44 1.43 -1.26 -5.18 118.68 118.92 1mw4 s LEU 9 Ca -0.00 -1.24 -0.15 0.00 -1.03 0.00 0.00 54.13 51.71 1mw4 s LEU 9 Cb -0.16 0.80 0.02 0.00 0.03 0.00 0.00 46.19 46.88 1mw4 s LEU 9 CO -0.08 -0.92 0.32 -0.55 0.23 0.00 0.00 176.35 175.35 1mw4 s SER 10 N -3.11 -0.20 -0.05 2.29 0.15 -1.26 -5.00 113.70 106.53 1mw4 s SER 10 Ca 0.33 0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.90 1mw4 s SER 10 Cb 0.05 0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 1mw4 s SER 10 CO 0.10 -0.48 0.34 0.00 1.20 0.00 0.00 173.24 174.40 1mw4 s ALA 11 N -1.52 -0.84 -0.44 5.45 0.00 -1.26 -5.10 121.76 118.04 1mw4 s ALA 11 Ca -0.12 0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.44 1mw4 s ALA 11 Cb -0.04 -0.10 0.24 0.00 0.00 0.00 0.00 23.12 23.22 1mw4 s ALA 11 CO 0.03 -0.24 0.70 0.00 0.00 0.00 0.00 175.76 176.25 1mw4 n ALA 12 N 1.67 0.51 -1.44 0.00 0.00 -1.26 -4.70 120.51 115.29 1mw4 n ALA 12 Ca -0.19 -2.39 -0.40 0.00 0.00 0.00 0.00 53.44 50.46 1mw4 n ALA 12 Cb 0.56 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 1mw4 n ALA 12 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1mw4 n ILE 13 N 1.60 4.12 -5.14 0.00 3.06 -1.26 -4.89 119.36 116.85 1mw4 n ILE 13 Ca 0.15 -2.75 -0.32 0.00 -2.50 0.00 0.00 62.75 57.34 1mw4 n ILE 13 Cb 0.58 -2.60 -0.15 0.00 0.54 0.00 0.00 39.64 38.00 1mw4 n ILE 13 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1mw4 s HIS 14 N 2.35 2.52 0.00 9.51 3.76 -1.26 -4.99 115.29 127.17 1mw4 s HIS 14 Ca 0.63 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 1mw4 s HIS 14 Cb 0.17 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 32.25 1mw4 s HIS 14 CO -0.07 -0.09 0.46 2.89 -0.85 0.00 0.00 174.74 177.08 1mw4 n ARG 15 N 2.76 -0.79 0.00 1.40 1.85 -1.26 -4.99 116.66 115.63 1mw4 n ARG 15 Ca -0.17 -0.47 0.00 0.00 -1.00 0.00 0.00 57.85 56.21 1mw4 n ARG 15 Cb 0.52 -0.94 0.00 0.00 -1.05 0.00 0.00 32.46 30.99 1mw4 n ARG 15 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1mw4 n THR 16 N -0.01 0.00 -2.28 8.89 -2.24 -1.26 -5.05 114.28 112.33 1mw4 n THR 16 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1mw4 n THR 16 Cb 0.04 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1mw4 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mw4 n GLN 17 N 0.00 0.12 -0.90 -0.78 -0.00 -1.26 -5.14 117.38 109.43 1mw4 n GLN 17 Ca 0.00 -1.55 -0.34 0.00 -0.00 0.00 0.00 57.00 55.11 1mw4 n GLN 17 Cb 0.00 0.19 0.10 0.00 -0.00 0.00 0.00 30.24 30.54 1mw4 n GLN 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1mw4 n LEU 18 N 0.14 -0.52 -2.65 2.61 4.77 -1.26 -4.93 117.00 115.16 1mw4 n LEU 18 Ca -0.11 0.36 -0.32 0.00 -0.03 0.00 0.00 56.01 55.92 1mw4 n LEU 18 Cb 0.91 -1.17 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1mw4 n LEU 18 CO -0.09 -3.74 0.69 -2.67 -1.33 0.00 0.00 177.39 170.25 1mw4 n TRP 19 N -3.29 3.27 -4.67 -1.77 -0.00 -1.26 -5.01 117.44 104.70 1mw4 n TRP 19 Ca 0.07 -2.84 -0.34 0.00 -0.00 0.00 0.00 57.50 54.39 1mw4 n TRP 19 Cb 0.53 -0.49 -0.12 0.00 -0.00 0.00 0.00 31.31 31.23 1mw4 n TRP 19 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1mw4 s PHE 20 N -3.74 2.89 0.22 -2.67 5.36 -1.24 -3.08 117.98 115.71 1mw4 s PHE 20 Ca 0.49 -0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 56.37 1mw4 s PHE 20 Cb 0.41 -1.73 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 1mw4 s PHE 20 CO -0.27 0.23 0.16 -1.58 -1.46 0.00 0.00 175.22 172.29 1mw4 s HIS 21 N -0.59 1.23 0.00 10.12 5.65 -1.13 -4.91 115.29 125.66 1mw4 s HIS 21 Ca 0.09 -1.41 0.00 0.00 0.25 0.00 0.00 55.06 53.99 1mw4 s HIS 21 Cb -0.12 -0.57 0.00 0.00 -1.18 0.00 0.00 32.58 30.72 1mw4 s HIS 21 CO 0.02 -0.68 0.00 0.41 -0.65 0.00 0.00 174.74 173.84 1mw4 n GLY 22 N -0.32 0.52 3.55 1.59 0.00 -1.26 -1.22 105.19 108.04 1mw4 n GLY 22 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1mw4 n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mw4 s ARG 23 N 3.43 3.01 -0.26 1.61 3.52 -0.79 -2.48 118.95 127.00 1mw4 s ARG 23 Ca 0.00 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.36 1mw4 s ARG 23 Cb 0.00 -4.62 -0.00 0.00 -1.56 0.00 0.00 34.95 28.77 1mw4 s ARG 23 CO 0.00 -2.52 0.03 -1.50 -0.81 0.00 0.00 175.30 170.50 1mw4 s ILE 24 N 7.22 3.80 -0.21 4.11 2.07 -1.26 -4.92 121.20 132.02 1mw4 s ILE 24 Ca 0.52 -0.52 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1mw4 s ILE 24 Cb -0.07 -2.84 -0.07 0.00 0.13 0.00 0.00 42.46 39.60 1mw4 s ILE 24 CO 0.09 0.26 0.97 -0.24 -1.91 0.00 0.00 174.94 174.11 1mw4 n SER 25 N 4.85 -1.36 -0.21 4.50 2.88 -1.26 -4.69 113.62 118.33 1mw4 n SER 25 Ca -0.16 -0.85 0.01 0.00 -1.33 0.00 0.00 58.87 56.53 1mw4 n SER 25 Cb 0.50 -0.42 0.09 0.00 -0.75 0.00 0.00 64.21 63.63 1mw4 n SER 25 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1mw4 h ARG 26 N 7.01 0.07 -0.38 -1.46 -0.00 -1.97 1.59 114.38 119.23 1mw4 h ARG 26 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 1mw4 h ARG 26 Cb 0.76 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.69 1mw4 h ARG 26 CO 0.86 0.05 0.25 1.05 -0.00 0.00 0.00 179.97 182.18 1mw4 h GLU 27 N 0.08 0.51 0.00 0.08 4.11 -1.99 -2.45 114.58 114.92 1mw4 h GLU 27 Ca 0.32 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.68 1mw4 h GLU 27 Cb 0.52 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1mw4 h GLU 27 CO -0.58 0.34 -0.19 0.93 0.07 0.00 0.00 179.01 179.59 1mw4 h GLU 28 N 0.52 0.00 -0.15 1.06 4.39 -1.57 -3.18 114.58 115.66 1mw4 h GLU 28 Ca 0.14 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 1mw4 h GLU 28 Cb -0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1mw4 h GLU 28 CO -0.03 0.19 -0.10 1.03 -1.16 0.00 0.00 179.01 178.93 1mw4 h SER 29 N 0.00 0.21 -0.08 1.42 0.87 0.27 -1.97 113.55 114.27 1mw4 h SER 29 Ca -0.00 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1mw4 h SER 29 Cb 1.03 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1mw4 h SER 29 CO 0.02 0.35 0.06 1.56 -0.53 0.00 0.00 176.83 178.29 1mw4 h GLN 30 N 0.22 0.06 0.03 2.24 4.20 -1.49 0.35 115.11 120.71 1mw4 h GLN 30 Ca 0.05 -0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.49 1mw4 h GLN 30 Cb 0.33 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.11 1mw4 h GLN 30 CO 0.02 0.04 -1.07 -0.09 -0.67 0.00 0.00 178.83 177.06 1mw4 h ARG 31 N 0.06 0.61 0.08 1.46 9.65 -1.54 -1.42 114.38 123.28 1mw4 h ARG 31 Ca 0.03 -0.69 -0.00 0.00 -1.10 0.00 0.00 59.98 58.22 1mw4 h ARG 31 Cb 0.07 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1mw4 h ARG 31 CO -0.00 1.29 -0.04 -0.07 2.80 0.00 0.00 179.97 183.94 1mw4 h LEU 32 N 0.33 -0.10 0.00 3.80 3.38 -1.20 -3.34 115.31 118.19 1mw4 h LEU 32 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1mw4 h LEU 32 Cb 1.72 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1mw4 h LEU 32 CO 0.20 0.17 0.00 -0.38 0.09 0.00 0.00 178.44 178.52 1mw4 n ILE 33 N -3.65 0.46 -0.65 1.22 -0.00 0.11 -2.54 119.36 114.31 1mw4 n ILE 33 Ca -0.01 0.11 -0.00 0.00 -0.00 0.00 0.00 62.75 62.85 1mw4 n ILE 33 Cb 0.04 -0.81 0.30 0.00 -0.00 0.00 0.00 39.64 39.17 1mw4 n ILE 33 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1mw4 n GLY 34 N 0.27 3.05 0.00 7.39 0.00 -0.54 -3.40 105.19 111.98 1mw4 n GLY 34 Ca 0.09 -0.80 0.10 0.00 0.00 0.00 0.00 46.02 45.40 1mw4 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mw4 n GLN 35 N 0.21 0.38 -0.28 1.61 -0.00 -1.05 -4.83 117.38 113.42 1mw4 n GLN 35 Ca 0.29 -0.05 -0.31 0.00 -0.00 0.00 0.00 57.00 56.94 1mw4 n GLN 35 Cb 1.15 -1.47 0.29 0.00 -0.00 0.00 0.00 30.24 30.21 1mw4 n GLN 35 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1mw4 s GLN 36 N -3.07 -3.16 0.00 2.61 -0.21 -1.22 -4.99 119.66 109.63 1mw4 s GLN 36 Ca 0.03 0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.60 1mw4 s GLN 36 Cb 0.15 -1.35 0.00 0.00 1.00 0.00 0.00 33.01 32.81 1mw4 s GLN 36 CO 0.85 -5.03 0.49 0.41 -2.12 0.00 0.00 175.29 169.88 1mw4 n GLY 37 N 1.71 -0.11 3.90 3.09 0.00 -1.26 -5.04 105.19 107.47 1mw4 n GLY 37 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1mw4 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mw4 s LEU 38 N -0.23 2.58 0.00 0.99 2.01 -1.26 -5.01 118.68 117.75 1mw4 s LEU 38 Ca 0.00 0.81 -0.12 0.00 0.01 0.00 0.00 54.13 54.84 1mw4 s LEU 38 Cb 0.00 -3.36 0.16 0.00 0.01 0.00 0.00 46.19 43.01 1mw4 s LEU 38 CO 0.00 -1.81 0.97 1.33 1.01 0.00 0.00 176.35 177.85 1mw4 n VAL 39 N -3.25 0.00 -0.25 -1.59 0.24 -1.26 -4.08 118.33 108.14 1mw4 n VAL 39 Ca 0.08 -0.73 -0.04 0.00 -2.04 0.00 0.00 64.34 61.61 1mw4 n VAL 39 Cb 0.60 -1.63 -0.03 0.00 -1.47 0.00 0.00 33.84 31.32 1mw4 n VAL 39 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1mw4 n ASP 40 N -3.61 1.41 0.00 -1.34 9.92 -1.06 -2.87 116.55 119.00 1mw4 n ASP 40 Ca 0.12 -1.82 0.00 0.00 -0.53 0.00 0.00 54.79 52.56 1mw4 n ASP 40 Cb 0.42 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1mw4 n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mw4 n GLY 41 N 3.11 0.79 3.34 0.44 0.00 -1.16 -4.10 105.19 107.60 1mw4 n GLY 41 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 1mw4 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mw4 s LEU 42 N -0.53 6.09 0.33 0.99 2.01 -1.14 -2.04 118.68 124.39 1mw4 s LEU 42 Ca 0.00 -1.95 0.09 0.00 0.01 0.00 0.00 54.13 52.28 1mw4 s LEU 42 Cb 0.00 -2.24 -0.05 0.00 0.01 0.00 0.00 46.19 43.91 1mw4 s LEU 42 CO 0.00 -0.86 0.04 0.72 1.01 0.00 0.00 176.35 177.26 1mw4 s PHE 43 N 1.55 2.61 0.09 0.29 -0.12 -1.23 0.51 117.98 121.68 1mw4 s PHE 43 Ca 0.10 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 56.59 1mw4 s PHE 43 Cb -0.22 -1.47 -0.04 0.00 -0.63 0.00 0.00 43.02 40.66 1mw4 s PHE 43 CO 0.00 0.47 0.01 -1.17 -0.05 0.00 0.00 175.22 174.48 1mw4 s LEU 44 N -3.74 2.15 -0.31 -1.99 2.96 0.34 -4.22 118.68 113.87 1mw4 s LEU 44 Ca 0.35 -1.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1mw4 s LEU 44 Cb -0.02 0.26 0.09 0.00 0.50 0.00 0.00 46.19 47.02 1mw4 s LEU 44 CO 0.20 -0.66 0.04 -0.69 -1.32 0.00 0.00 176.35 173.93 1mw4 s VAL 45 N -3.98 1.74 0.21 1.68 1.01 -1.18 0.13 120.40 120.03 1mw4 s VAL 45 Ca 0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.25 1mw4 s VAL 45 Cb 0.08 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1mw4 s VAL 45 CO -0.05 -0.53 0.15 0.00 0.00 0.00 0.00 175.10 174.67 1mw4 s ARG 46 N 1.20 1.25 0.00 2.72 3.03 -1.05 -2.86 118.95 123.23 1mw4 s ARG 46 Ca 0.07 -1.65 0.00 0.00 2.03 0.00 0.00 55.73 56.19 1mw4 s ARG 46 Cb -0.18 0.28 0.00 0.00 -1.03 0.00 0.00 34.95 34.01 1mw4 s ARG 46 CO -0.13 -0.42 0.00 -0.85 -1.13 0.00 0.00 175.30 172.78 1mw4 n GLU 47 N -0.30 0.00 -4.46 3.89 -0.00 -0.36 -2.16 120.64 117.26 1mw4 n GLU 47 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.16 56.85 1mw4 n GLU 47 Cb 0.66 0.00 -0.13 0.00 -0.00 0.00 0.00 31.44 31.96 1mw4 n GLU 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1mw4 s SER 48 N 1.07 4.37 0.00 -1.84 0.15 -1.19 -1.88 113.70 114.39 1mw4 s SER 48 Ca 0.00 -0.26 0.22 0.00 0.70 0.00 0.00 55.95 56.61 1mw4 s SER 48 Cb 0.00 -1.70 0.52 0.00 -1.71 0.00 0.00 66.02 63.13 1mw4 s SER 48 CO 0.00 0.13 1.45 0.00 1.20 0.00 0.00 173.24 176.02 1mw4 n GLN 49 N 3.78 2.50 -0.06 5.44 -0.00 -1.26 -3.87 117.38 123.91 1mw4 n GLN 49 Ca -0.18 -2.29 -0.07 0.00 -0.00 0.00 0.00 57.00 54.46 1mw4 n GLN 49 Cb 0.52 -1.52 -0.06 0.00 -0.00 0.00 0.00 30.24 29.18 1mw4 n GLN 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1mw4 n ARG 50 N 1.43 0.85 -2.68 2.61 3.00 -1.26 -4.94 116.66 115.67 1mw4 n ARG 50 Ca 0.21 0.05 -0.43 0.00 -0.00 0.00 0.00 57.85 57.68 1mw4 n ARG 50 Cb 0.58 -1.24 -0.02 0.00 0.00 0.00 0.00 32.46 31.77 1mw4 n ARG 50 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1mw4 s ASN 51 N -4.92 6.87 0.40 6.15 0.02 -1.26 -4.79 114.94 117.41 1mw4 s ASN 51 Ca -0.13 0.94 0.32 0.00 -1.02 0.00 0.00 52.86 52.97 1mw4 s ASN 51 Cb 0.04 -2.52 1.33 0.00 0.02 0.00 0.00 41.25 40.11 1mw4 s ASN 51 CO 0.31 -0.87 1.32 -2.65 0.02 0.00 0.00 177.10 175.23 1mw4 n PRO 52 N 6.84 -0.02 -3.64 -0.60 -0.02 -1.26 -0.69 135.00 135.61 1mw4 n PRO 52 Ca 0.11 1.02 -0.27 0.00 -2.02 0.00 0.00 63.50 62.33 1mw4 n PRO 52 Cb 0.47 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1mw4 n PRO 52 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1mw4 n GLN 53 N -4.17 1.94 -3.31 -0.52 3.00 -1.26 -5.05 117.38 108.01 1mw4 n GLN 53 Ca 0.35 -4.41 -0.46 0.00 -0.01 0.00 0.00 57.00 52.48 1mw4 n GLN 53 Cb 1.44 -2.17 -0.05 0.00 0.00 0.00 0.00 30.24 29.46 1mw4 n GLN 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1mw4 s GLY 54 N -1.76 2.08 -0.15 1.08 0.00 0.14 -4.54 107.32 104.16 1mw4 s GLY 54 Ca 0.32 -2.48 -0.04 0.00 0.00 0.00 0.00 44.72 42.51 1mw4 s GLY 54 CO -0.11 1.20 0.12 -1.36 0.00 0.00 0.00 173.10 172.95 1mw4 s PHE 55 N 1.64 0.06 0.06 1.90 0.40 -1.26 -3.15 117.98 117.62 1mw4 s PHE 55 Ca 0.03 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.32 1mw4 s PHE 55 Cb -0.29 -0.57 -0.03 0.00 0.51 0.00 0.00 43.02 42.64 1mw4 s PHE 55 CO 0.03 -0.47 -0.08 0.54 0.70 0.00 0.00 175.22 175.95 1mw4 s VAL 56 N 2.19 0.61 -0.15 -0.44 0.11 -0.92 -3.47 120.40 118.33 1mw4 s VAL 56 Ca 0.03 -1.35 -0.00 0.00 -2.93 0.00 0.00 61.98 57.73 1mw4 s VAL 56 Cb -0.15 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1mw4 s VAL 56 CO -0.09 -0.53 -0.14 -0.22 -3.33 0.00 0.00 175.10 170.80 1mw4 s LEU 57 N -2.04 2.57 -0.10 2.54 0.20 -1.11 -2.54 118.68 118.21 1mw4 s LEU 57 Ca -0.03 -0.43 -0.08 0.00 0.69 0.00 0.00 54.13 54.28 1mw4 s LEU 57 Cb -0.05 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 1mw4 s LEU 57 CO -0.01 0.10 0.18 -0.44 -0.29 0.00 0.00 176.35 175.90 1mw4 s SER 58 N 0.72 6.46 0.45 3.68 0.01 0.36 -1.34 113.70 124.04 1mw4 s SER 58 Ca -0.06 0.54 0.04 0.00 1.31 0.00 0.00 55.95 57.78 1mw4 s SER 58 Cb -0.15 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 1mw4 s SER 58 CO 0.01 0.39 0.02 -0.76 0.41 0.00 0.00 173.24 173.31 1mw4 s LEU 59 N -1.08 2.50 -0.35 2.44 1.43 -0.39 0.13 118.68 123.36 1mw4 s LEU 59 Ca 0.17 -1.52 0.01 0.00 -1.03 0.00 0.00 54.13 51.76 1mw4 s LEU 59 Cb -0.13 -0.72 0.14 0.00 0.03 0.00 0.00 46.19 45.51 1mw4 s LEU 59 CO 0.06 -0.68 0.26 0.00 0.23 0.00 0.00 176.35 176.23 1mw4 s HIS 61 N 1.27 2.50 -0.50 0.00 5.04 0.21 -2.56 115.29 121.25 1mw4 s HIS 61 Ca 0.17 0.18 -0.02 0.00 -1.54 0.00 0.00 55.06 53.85 1mw4 s HIS 61 Cb -0.20 -3.14 0.28 0.00 0.04 0.00 0.00 32.58 29.56 1mw4 s HIS 61 CO -0.03 -1.47 2.15 1.47 -2.34 0.00 0.00 174.74 174.52 1mw4 n LEU 62 N -2.85 6.97 0.00 8.88 -0.00 -1.26 -3.26 117.00 125.48 1mw4 n LEU 62 Ca 0.10 -3.88 0.00 0.00 -0.00 0.00 0.00 56.01 52.23 1mw4 n LEU 62 Cb 0.60 -1.06 0.00 0.00 -0.00 0.00 0.00 43.42 42.96 1mw4 n LEU 62 CO 0.48 1.44 0.00 0.00 -0.00 0.00 0.00 177.39 179.30 1mw4 n GLN 63 N -0.05 0.00 0.00 1.47 1.13 -1.26 -5.09 117.38 113.58 1mw4 n GLN 63 Ca 0.46 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.52 1mw4 n GLN 63 Cb 0.57 -0.17 0.00 0.00 0.11 0.00 0.00 30.24 30.74 1mw4 n GLN 63 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1mw4 n LYS 64 N -1.64 0.00 -4.10 -1.09 2.85 -1.20 -5.04 118.16 107.94 1mw4 n LYS 64 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1mw4 n LYS 64 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 1mw4 n LYS 64 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1mw4 s VAL 65 N -2.33 0.66 0.29 0.58 -7.23 -1.26 0.66 120.40 111.76 1mw4 s VAL 65 Ca 0.00 -1.27 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 1mw4 s VAL 65 Cb 0.00 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 1mw4 s VAL 65 CO 0.00 -0.44 0.23 -1.59 -0.31 0.00 0.00 175.10 172.98 1mw4 s LYS 66 N -2.00 1.57 -0.01 4.82 -2.85 -1.12 -4.65 119.74 115.50 1mw4 s LYS 66 Ca -0.05 -1.88 0.01 0.00 -1.00 0.00 0.00 55.97 53.05 1mw4 s LYS 66 Cb -0.07 0.31 -0.00 0.00 -2.06 0.00 0.00 37.83 36.00 1mw4 s LYS 66 CO -0.00 -0.56 -0.05 -1.01 0.10 0.00 0.00 175.35 173.83 1mw4 s HIS 67 N -3.69 0.46 -0.62 1.78 3.76 -1.26 -1.26 115.29 114.46 1mw4 s HIS 67 Ca 0.40 -0.09 0.05 0.00 -0.15 0.00 0.00 55.06 55.27 1mw4 s HIS 67 Cb 0.04 -0.32 0.16 0.00 1.11 0.00 0.00 32.58 33.57 1mw4 s HIS 67 CO 0.22 -0.03 0.43 0.71 -0.85 0.00 0.00 174.74 175.23 1mw4 s TYR 68 N 0.01 2.99 -0.22 1.40 1.51 -0.45 -4.90 117.35 117.69 1mw4 s TYR 68 Ca 0.00 -3.09 0.01 0.00 -1.01 0.00 0.00 57.07 52.98 1mw4 s TYR 68 Cb -0.03 -2.34 0.06 0.00 -0.11 0.00 0.00 41.96 39.53 1mw4 s TYR 68 CO -0.00 -0.63 -0.06 -1.17 -1.11 0.00 0.00 175.55 172.58 1mw4 s LEU 69 N -0.97 2.43 0.00 -1.29 1.98 -1.23 -2.73 118.68 116.86 1mw4 s LEU 69 Ca 0.25 -1.09 0.00 0.00 -2.89 0.00 0.00 54.13 50.40 1mw4 s LEU 69 Cb -0.06 -1.16 0.00 0.00 0.66 0.00 0.00 46.19 45.63 1mw4 s LEU 69 CO -0.15 -0.22 0.00 -0.38 -1.89 0.00 0.00 176.35 173.71 1mw4 n ILE 70 N 4.69 0.00 -3.83 6.68 2.08 -1.23 -4.85 119.36 122.91 1mw4 n ILE 70 Ca -0.12 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.06 1mw4 n ILE 70 Cb 0.45 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.19 1mw4 n ILE 70 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1mw4 s LEU 71 N -0.83 1.60 0.00 1.39 1.02 -0.90 -5.00 118.68 115.97 1mw4 s LEU 71 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.23 1mw4 s LEU 71 Cb 0.00 0.09 0.00 0.00 0.02 0.00 0.00 46.19 46.30 1mw4 s LEU 71 CO 0.00 -0.05 0.00 -0.81 0.02 0.00 0.00 176.35 175.51 1mw4 n PRO 72 N 3.40 1.60 -2.58 1.29 -0.04 -1.26 -2.89 135.00 134.53 1mw4 n PRO 72 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 1mw4 n PRO 72 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1mw4 n PRO 72 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1mw4 s SER 73 N -1.00 6.78 0.53 3.54 0.15 -1.23 -3.10 113.70 119.36 1mw4 s SER 73 Ca 0.00 0.90 0.09 0.00 0.70 0.00 0.00 55.95 57.64 1mw4 s SER 73 Cb 0.00 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.83 1mw4 s SER 73 CO 0.00 -1.05 0.72 -1.61 1.20 0.00 0.00 173.24 172.51 1mw4 s GLU 74 N 4.03 2.47 -0.12 5.44 8.01 -1.15 -4.99 118.70 132.39 1mw4 s GLU 74 Ca 0.49 -1.48 0.15 0.00 0.01 0.00 0.00 54.97 54.13 1mw4 s GLU 74 Cb -0.11 -2.68 0.65 0.00 -4.31 0.00 0.00 34.13 27.68 1mw4 s GLU 74 CO 0.22 -0.68 1.53 0.39 0.01 0.00 0.00 175.26 176.73 1mw4 n GLU 75 N -2.13 3.58 -0.00 1.61 -0.58 -1.26 -3.36 120.64 118.49 1mw4 n GLU 75 Ca 0.13 -2.53 0.04 0.00 -0.42 0.00 0.00 57.16 54.37 1mw4 n GLU 75 Cb 0.61 -1.88 -0.04 0.00 -0.57 0.00 0.00 31.44 29.55 1mw4 n GLU 75 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1mw4 n GLU 76 N 0.88 4.09 0.00 3.49 4.07 -1.26 -5.06 120.64 126.85 1mw4 n GLU 76 Ca 0.23 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 1mw4 n GLU 76 Cb 0.85 -0.89 0.00 0.00 -0.06 0.00 0.00 31.44 31.34 1mw4 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1mw4 n GLY 77 N 1.26 2.04 0.00 8.31 0.00 -1.21 -5.14 105.19 110.45 1mw4 n GLY 77 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1mw4 n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mw4 n ARG 78 N 0.00 0.00 -2.62 1.61 0.00 -1.26 -4.46 116.66 109.92 1mw4 n ARG 78 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1mw4 n ARG 78 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.43 1mw4 n ARG 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1mw4 s LEU 79 N 0.00 4.26 -0.83 2.89 1.02 -0.85 -2.92 118.68 122.26 1mw4 s LEU 79 Ca 0.00 1.62 -0.07 0.00 0.02 0.00 0.00 54.13 55.70 1mw4 s LEU 79 Cb 0.00 -3.56 0.21 0.00 0.02 0.00 0.00 46.19 42.86 1mw4 s LEU 79 CO 0.00 -0.48 0.73 -0.31 0.02 0.00 0.00 176.35 176.31 1mw4 s TYR 80 N 2.03 3.77 0.28 0.29 1.51 -1.14 0.23 117.35 124.31 1mw4 s TYR 80 Ca 0.51 -2.58 -0.10 0.00 -1.01 0.00 0.00 57.07 53.88 1mw4 s TYR 80 Cb -0.20 -3.49 0.00 0.00 -0.11 0.00 0.00 41.96 38.16 1mw4 s TYR 80 CO 0.19 -0.87 0.49 -0.59 -1.11 0.00 0.00 175.55 173.65 1mw4 s PHE 81 N -0.52 0.55 0.00 2.71 -0.12 -1.26 -2.11 117.98 117.23 1mw4 s PHE 81 Ca 0.22 -0.90 0.00 0.00 -0.05 0.00 0.00 56.93 56.20 1mw4 s PHE 81 Cb -0.12 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 1mw4 s PHE 81 CO -0.08 -1.06 0.00 -1.13 -0.05 0.00 0.00 175.22 172.90 1mw4 n SER 82 N -0.71 0.00 -0.64 1.98 3.41 -1.26 0.12 113.62 116.51 1mw4 n SER 82 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1mw4 n SER 82 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1mw4 n SER 82 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1mw4 n MET 83 N 0.00 0.00 0.01 4.33 0.00 -1.26 -4.89 117.12 115.31 1mw4 n MET 83 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.77 1mw4 n MET 83 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 33.22 33.70 1mw4 n MET 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1mw4 h ASP 84 N 0.00 0.38 -1.05 3.17 5.19 -1.98 -3.22 116.42 118.90 1mw4 h ASP 84 Ca 0.00 -0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 1mw4 h ASP 84 Cb 0.00 -0.09 -0.40 0.00 0.18 0.00 0.00 39.33 39.02 1mw4 h ASP 84 CO 0.00 0.26 -1.19 -0.90 -3.12 0.00 0.00 179.24 174.29 1mw4 n ASP 85 N -4.48 1.38 -3.92 6.45 5.75 -1.26 -5.12 116.55 115.35 1mw4 n ASP 85 Ca 0.04 -2.73 -0.14 0.00 -0.01 0.00 0.00 54.79 51.95 1mw4 n ASP 85 Cb 0.16 -0.52 -0.09 0.00 -1.03 0.00 0.00 41.12 39.63 1mw4 n ASP 85 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1mw4 s GLY 86 N -3.07 1.74 -0.41 6.12 0.00 -1.22 -5.11 107.32 105.37 1mw4 s GLY 86 Ca 0.28 -1.82 0.06 0.00 0.00 0.00 0.00 44.72 43.23 1mw4 s GLY 86 CO 0.03 -1.42 0.43 0.61 0.00 0.00 0.00 173.10 172.75 1mw4 n GLN 87 N -0.39 0.39 -0.25 2.90 10.64 -1.26 -4.05 117.38 125.37 1mw4 n GLN 87 Ca 0.04 -3.10 0.07 0.00 -1.83 0.00 0.00 57.00 52.17 1mw4 n GLN 87 Cb 0.65 -1.50 0.18 0.00 -0.86 0.00 0.00 30.24 28.71 1mw4 n GLN 87 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1mw4 n THR 88 N 2.33 1.68 -0.80 -0.39 -2.24 -1.03 -4.96 114.28 108.87 1mw4 n THR 88 Ca 0.26 -1.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1mw4 n THR 88 Cb 0.50 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1mw4 n THR 88 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1mw4 n ARG 89 N -0.34 0.00 0.00 -0.78 -4.01 0.32 -4.47 116.66 107.38 1mw4 n ARG 89 Ca 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.96 1mw4 n ARG 89 Cb 0.63 -0.98 0.00 0.00 -3.04 0.00 0.00 32.46 29.08 1mw4 n ARG 89 CO 0.00 0.00 0.00 1.97 -3.04 0.00 0.00 177.63 176.56 1mw4 n PHE 90 N 3.07 0.00 -0.61 2.89 1.16 0.61 -4.35 117.46 120.23 1mw4 n PHE 90 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.27 1mw4 n PHE 90 Cb 0.16 0.00 0.20 0.00 -1.61 0.00 0.00 39.48 38.22 1mw4 n PHE 90 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1mw4 n THR 91 N 0.00 0.00 0.08 1.97 -1.04 -1.26 -2.00 114.28 112.03 1mw4 n THR 91 Ca 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1mw4 n THR 91 Cb 0.00 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1mw4 n THR 91 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1mw4 n ASP 92 N -2.48 -0.65 -0.04 8.00 -0.08 -1.26 -4.77 116.55 115.27 1mw4 n ASP 92 Ca 0.01 0.27 -0.01 0.00 -1.51 0.00 0.00 54.79 53.56 1mw4 n ASP 92 Cb 0.60 0.77 -0.01 0.00 2.34 0.00 0.00 41.12 44.82 1mw4 n ASP 92 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1mw4 h LEU 93 N 0.00 -0.19 -0.78 -2.67 5.85 -1.98 1.16 115.31 116.71 1mw4 h LEU 93 Ca 0.00 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.91 1mw4 h LEU 93 Cb 0.00 0.08 -0.15 0.00 0.37 0.00 0.00 40.66 40.97 1mw4 h LEU 93 CO 0.00 -0.02 -0.17 0.25 -0.34 0.00 0.00 178.44 178.16 1mw4 h LEU 94 N -0.00 -0.67 -0.01 2.25 7.12 -2.01 0.62 115.31 122.61 1mw4 h LEU 94 Ca 0.01 0.23 -0.00 0.00 0.13 0.00 0.00 57.88 58.25 1mw4 h LEU 94 Cb 0.04 0.46 -0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1mw4 h LEU 94 CO -0.08 -0.25 0.00 1.56 -0.13 0.00 0.00 178.44 179.54 1mw4 h GLN 95 N 0.01 0.01 -1.11 1.25 1.08 -1.50 -2.57 115.11 112.28 1mw4 h GLN 95 Ca 0.38 -0.00 0.31 0.00 -1.45 0.00 0.00 58.65 57.89 1mw4 h GLN 95 Cb 0.60 -0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.92 1mw4 h GLN 95 CO -0.78 0.13 0.71 1.25 -0.95 0.00 0.00 178.83 179.19 1mw4 h LEU 96 N -0.11 0.40 0.07 1.46 6.46 0.35 1.04 115.31 124.98 1mw4 h LEU 96 Ca 0.00 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1mw4 h LEU 96 Cb 0.13 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1mw4 h LEU 96 CO -0.00 0.00 -0.03 0.58 -0.62 0.00 0.00 178.44 178.37 1mw4 h VAL 97 N 0.31 0.00 -0.01 1.05 2.07 -0.82 -1.08 116.25 117.77 1mw4 h VAL 97 Ca 0.66 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 68.17 1mw4 h VAL 97 Cb 1.79 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1mw4 h VAL 97 CO -0.35 0.00 -0.01 -0.08 0.02 0.00 0.00 177.57 177.15 1mw4 h GLU 98 N -0.11 0.03 0.00 1.57 4.81 -1.38 -2.95 114.58 116.55 1mw4 h GLU 98 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1mw4 h GLU 98 Cb 0.07 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1mw4 h GLU 98 CO 0.02 0.46 0.00 1.19 -0.73 0.00 0.00 179.01 179.95 1mw4 n PHE 99 N -4.86 0.00 -0.41 0.92 3.01 0.36 -3.13 117.46 113.35 1mw4 n PHE 99 Ca -0.08 0.00 0.33 0.00 1.01 0.00 0.00 57.45 58.71 1mw4 n PHE 99 Cb 0.24 -0.43 0.61 0.00 -0.01 0.00 0.00 39.48 39.89 1mw4 n PHE 99 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 1mw4 h HIS 100 N 0.00 0.62 0.19 1.38 2.07 -1.00 1.15 115.15 119.55 1mw4 h HIS 100 Ca 0.00 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.54 1mw4 h HIS 100 Cb 0.11 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 29.93 1mw4 h HIS 100 CO 0.00 -0.20 -0.09 -0.56 -3.07 0.00 0.00 177.93 174.01 1mw4 h GLN 101 N 0.14 -0.24 -2.15 5.12 3.07 -1.79 -3.13 115.11 116.12 1mw4 h GLN 101 Ca 0.79 0.02 -0.57 0.00 0.09 0.00 0.00 58.65 58.97 1mw4 h GLN 101 Cb 2.32 0.05 -0.39 0.00 0.08 0.00 0.00 27.48 29.55 1mw4 h GLN 101 CO -0.47 0.11 -1.03 1.28 0.09 0.00 0.00 178.83 178.81 1mw4 n LEU 102 N -5.03 0.15 0.00 0.06 7.99 0.15 -4.69 117.00 115.63 1mw4 n LEU 102 Ca -0.09 -4.62 -0.18 0.00 -0.01 0.00 0.00 56.01 51.11 1mw4 n LEU 102 Cb 0.24 0.53 0.06 0.00 -0.11 0.00 0.00 43.42 44.14 1mw4 n LEU 102 CO 0.31 1.99 0.33 -0.46 -1.51 0.00 0.00 177.39 178.05 1mw4 n ASN 103 N 1.89 1.92 -3.18 -1.43 0.23 0.35 -4.83 115.26 110.20 1mw4 n ASN 103 Ca 0.24 -2.39 -0.40 0.00 -0.53 0.00 0.00 54.58 51.50 1mw4 n ASN 103 Cb 0.50 -0.38 0.03 0.00 -2.08 0.00 0.00 39.78 37.86 1mw4 n ASN 103 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1mw4 n ARG 104 N -2.13 3.74 0.00 -3.83 3.00 -1.26 -4.39 116.66 111.79 1mw4 n ARG 104 Ca 0.14 -3.94 0.00 0.00 -0.01 0.00 0.00 57.85 54.05 1mw4 n ARG 104 Cb 0.54 -2.34 0.00 0.00 0.00 0.00 0.00 32.46 30.66 1mw4 n ARG 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mw4 n GLY 105 N -0.35 -0.07 1.09 -0.13 0.00 -0.94 -4.88 105.19 99.91 1mw4 n GLY 105 Ca 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.47 1mw4 n GLY 105 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1mw4 n ILE 106 N 0.00 0.00 -0.77 -0.61 -6.64 -1.25 -5.03 119.36 105.06 1mw4 n ILE 106 Ca 0.00 -0.59 -0.19 0.00 -1.77 0.00 0.00 62.75 60.20 1mw4 n ILE 106 Cb 0.00 -0.56 0.06 0.00 -1.44 0.00 0.00 39.64 37.69 1mw4 n ILE 106 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 1mw4 n LEU 107 N 0.00 -2.19 -0.29 7.28 4.77 -1.26 -4.56 117.00 120.75 1mw4 n LEU 107 Ca 0.01 -0.10 0.23 0.00 -0.03 0.00 0.00 56.01 56.13 1mw4 n LEU 107 Cb 0.18 -0.60 0.37 0.00 -2.33 0.00 0.00 43.42 41.04 1mw4 n LEU 107 CO 0.11 -2.53 0.68 -2.65 -1.33 0.00 0.00 177.39 171.66 1mw4 n PRO 108 N 0.94 -0.01 0.00 3.23 -0.02 -1.26 -4.43 135.00 133.45 1mw4 n PRO 108 Ca 0.01 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1mw4 n PRO 108 Cb 0.37 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1mw4 n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mw4 n LEU 110 N 0.00 -0.22 0.00 0.00 7.99 -1.26 -4.81 117.00 118.69 1mw4 n LEU 110 Ca 0.00 0.90 0.00 0.00 -0.01 0.00 0.00 56.01 56.90 1mw4 n LEU 110 Cb 0.00 -1.10 0.00 0.00 -0.11 0.00 0.00 43.42 42.21 1mw4 n LEU 110 CO 0.00 -2.99 -0.31 0.00 -1.51 0.00 0.00 177.39 172.58 1mw4 n LEU 111 N 1.34 0.00 -4.75 2.23 -0.00 -1.26 -3.81 117.00 110.75 1mw4 n LEU 111 Ca 0.11 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.75 1mw4 n LEU 111 Cb 0.40 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.86 1mw4 n LEU 111 CO 0.55 0.00 0.91 -0.13 -0.00 0.00 0.00 177.39 178.71 1mw4 s ARG 112 N -1.37 3.02 0.18 1.47 0.52 -1.26 -2.21 118.95 119.30 1mw4 s ARG 112 Ca 0.00 2.02 -0.11 0.00 -0.52 0.00 0.00 55.73 57.12 1mw4 s ARG 112 Cb 0.00 -2.08 -0.00 0.00 0.52 0.00 0.00 34.95 33.39 1mw4 s ARG 112 CO 0.00 -1.22 0.35 -3.38 0.02 0.00 0.00 175.30 171.07 1mw4 s HIS 113 N -1.44 0.31 0.00 -0.53 -3.43 -1.18 -3.00 115.29 106.03 1mw4 s HIS 113 Ca 0.75 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 54.34 1mw4 s HIS 113 Cb -0.35 0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.85 1mw4 s HIS 113 CO 0.40 -0.79 0.00 0.00 -2.00 0.00 0.00 174.74 172.35 1mw4 s THR 116 N -1.50 4.07 -0.79 0.00 2.01 -1.26 -3.52 115.64 114.65 1mw4 s THR 116 Ca 0.00 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 60.93 1mw4 s THR 116 Cb 0.00 -3.00 0.27 0.00 0.01 0.00 0.00 72.50 69.79 1mw4 s THR 116 CO 0.00 0.02 1.02 -1.14 -0.69 0.00 0.00 174.62 173.83 1mw4 n ARG 117 N 0.21 3.25 0.00 4.92 3.00 -1.26 -4.75 116.66 122.03 1mw4 n ARG 117 Ca -0.10 -4.64 0.00 0.00 -0.00 0.00 0.00 57.85 53.11 1mw4 n ARG 117 Cb 0.53 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.64 1mw4 n ARG 117 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1mw4 n VAL 118 N 0.97 0.00 -0.45 5.15 0.24 -1.26 -4.95 118.33 118.03 1mw4 n VAL 118 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 1mw4 n VAL 118 Cb 0.38 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1mw4 n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mw4 n ALA 119 N -2.48 0.00 0.00 2.33 0.00 -1.26 -5.28 120.51 113.82 1mw4 n ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mw4 n ALA 119 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mw4 n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78