#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 -1.25 -4.55 1.61 2.88 -1.26 -5.03 113.62 106.02 1mw4 n SER 2 Ca 0.00 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.79 1mw4 n SER 2 Cb 0.00 1.33 -0.09 0.00 -0.75 0.00 0.00 64.21 64.71 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 -3.03 0.40 -3.58 -1.46 -0.04 -1.26 -4.84 135.00 121.21 1mw4 n PRO 3 Ca 0.00 -1.02 -0.19 0.00 -0.04 0.00 0.00 63.50 62.25 1mw4 n PRO 3 Cb 0.00 -3.59 -0.15 0.00 -0.04 0.00 0.00 33.50 29.72 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 14.60 -0.11 0.42 0.55 0.00 -1.26 -5.15 121.76 130.81 1mw4 s ALA 4 Ca 0.90 0.27 0.03 0.00 0.00 0.00 0.00 51.96 53.17 1mw4 s ALA 4 Cb -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1mw4 s ALA 4 CO 0.13 -0.97 0.60 -1.54 0.00 0.00 0.00 175.76 173.98 1mw4 s SER 5 N 2.28 5.80 0.02 0.00 1.04 -1.26 -4.96 113.70 116.62 1mw4 s SER 5 Ca 0.05 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1mw4 s SER 5 Cb -0.14 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.70 1mw4 s SER 5 CO -0.09 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1mw4 n GLY 6 N -1.93 -1.08 3.93 7.32 0.00 -1.26 -5.15 105.19 107.02 1mw4 n GLY 6 Ca 0.02 0.44 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 1mw4 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mw4 s THR 7 N -2.00 5.27 0.04 2.61 -4.23 -1.26 -5.11 115.64 110.96 1mw4 s THR 7 Ca 0.00 -0.45 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 1mw4 s THR 7 Cb 0.00 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 1mw4 s THR 7 CO 0.00 -0.09 -0.13 -0.94 -0.54 0.00 0.00 174.62 172.93 1mw4 s SER 8 N -3.05 4.20 0.44 3.99 1.04 -1.26 -5.14 113.70 113.93 1mw4 s SER 8 Ca 0.37 -0.32 0.05 0.00 0.48 0.00 0.00 55.95 56.53 1mw4 s SER 8 Cb -0.11 -0.82 -0.05 0.00 0.10 0.00 0.00 66.02 65.14 1mw4 s SER 8 CO 0.28 0.25 0.06 -0.76 0.98 0.00 0.00 173.24 174.05 1mw4 s LEU 9 N -1.58 2.75 -0.05 2.42 1.43 -1.26 -5.15 118.68 117.25 1mw4 s LEU 9 Ca 0.17 -1.39 -0.02 0.00 -1.03 0.00 0.00 54.13 51.86 1mw4 s LEU 9 Cb -0.11 -0.96 0.03 0.00 0.03 0.00 0.00 46.19 45.18 1mw4 s LEU 9 CO 0.08 -0.61 0.07 -0.55 0.23 0.00 0.00 176.35 175.57 1mw4 s SER 10 N -3.82 1.13 -0.05 2.29 0.15 -1.26 -5.09 113.70 107.06 1mw4 s SER 10 Ca 0.28 0.09 0.02 0.00 0.70 0.00 0.00 55.95 57.04 1mw4 s SER 10 Cb 0.06 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 1mw4 s SER 10 CO 0.15 -0.25 -0.09 0.00 1.20 0.00 0.00 173.24 174.24 1mw4 s ALA 11 N 2.18 0.99 -0.35 5.45 0.00 -1.26 -5.04 121.76 123.72 1mw4 s ALA 11 Ca 0.05 -0.29 0.14 0.00 0.00 0.00 0.00 51.96 51.86 1mw4 s ALA 11 Cb -0.12 -0.45 0.42 0.00 0.00 0.00 0.00 23.12 22.96 1mw4 s ALA 11 CO -0.03 0.09 0.99 0.00 0.00 0.00 0.00 175.76 176.81 1mw4 n ALA 12 N 3.70 2.48 -1.28 0.00 0.00 -1.26 -4.98 120.51 119.17 1mw4 n ALA 12 Ca -0.22 -2.76 -0.36 0.00 0.00 0.00 0.00 53.44 50.10 1mw4 n ALA 12 Cb 0.52 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.06 4.19 -4.76 0.00 3.06 -1.26 -4.85 119.36 115.68 1mw4 n ILE 13 Ca 0.10 -2.48 -0.30 0.00 -2.50 0.00 0.00 62.75 57.57 1mw4 n ILE 13 Cb 0.78 -2.54 -0.17 0.00 0.54 0.00 0.00 39.64 38.25 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 1.99 2.25 0.00 9.51 3.76 -1.26 -4.98 115.29 126.57 1mw4 s HIS 14 Ca 0.69 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1mw4 s HIS 14 Cb 0.20 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.33 1mw4 s HIS 14 CO -0.05 -0.47 0.67 2.89 -0.85 0.00 0.00 174.74 176.93 1mw4 n ARG 15 N 3.90 1.19 -0.59 1.40 1.85 -1.26 -5.07 116.66 118.08 1mw4 n ARG 15 Ca -0.20 -0.89 0.00 0.00 -1.00 0.00 0.00 57.85 55.76 1mw4 n ARG 15 Cb 0.52 -0.80 0.00 0.00 -1.05 0.00 0.00 32.46 31.13 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 -0.22 0.00 -0.29 8.89 -2.24 -1.26 -5.03 114.28 114.13 1mw4 n THR 16 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1mw4 n THR 16 Cb 0.29 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.81 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 3.64 -0.48 -0.78 -0.00 -1.26 -4.97 117.38 113.53 1mw4 n GLN 17 Ca 0.00 -2.23 -0.26 0.00 -0.00 0.00 0.00 57.00 54.50 1mw4 n GLN 17 Cb 0.00 -1.98 0.21 0.00 -0.00 0.00 0.00 30.24 28.46 1mw4 n GLN 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1mw4 n LEU 18 N 0.52 -1.43 -2.80 2.61 -0.00 -1.26 -4.99 117.00 109.65 1mw4 n LEU 18 Ca 0.20 -0.42 -0.11 0.00 -0.00 0.00 0.00 56.01 55.67 1mw4 n LEU 18 Cb 0.88 -0.94 0.01 0.00 -0.00 0.00 0.00 43.42 43.38 1mw4 n LEU 18 CO 0.22 -3.57 -0.15 -2.67 -0.00 0.00 0.00 177.39 171.23 1mw4 n TRP 19 N -4.87 0.87 -3.95 1.47 -0.00 -1.26 -5.07 117.44 104.63 1mw4 n TRP 19 Ca 0.06 -3.06 -0.29 0.00 -0.00 0.00 0.00 57.50 54.22 1mw4 n TRP 19 Cb 0.51 -0.38 -0.17 0.00 -0.00 0.00 0.00 31.31 31.28 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 -2.92 1.88 0.05 -2.67 5.36 -1.25 -2.57 117.98 115.86 1mw4 s PHE 20 Ca 0.30 -1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 55.17 1mw4 s PHE 20 Cb 0.43 -1.42 -0.04 0.00 -0.34 0.00 0.00 43.02 41.65 1mw4 s PHE 20 CO 0.01 -0.62 -0.02 -1.58 -1.46 0.00 0.00 175.22 171.55 1mw4 s HIS 21 N 1.58 0.49 0.00 10.12 5.65 -1.11 -4.99 115.29 127.02 1mw4 s HIS 21 Ca 0.03 -1.01 0.00 0.00 0.25 0.00 0.00 55.06 54.33 1mw4 s HIS 21 Cb -0.14 -0.36 0.00 0.00 -1.18 0.00 0.00 32.58 30.90 1mw4 s HIS 21 CO -0.09 -0.37 0.00 0.41 -0.65 0.00 0.00 174.74 174.04 1mw4 n GLY 22 N 0.23 -0.02 2.81 1.59 0.00 -1.26 0.13 105.19 108.66 1mw4 n GLY 22 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1mw4 n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mw4 n ARG 23 N 0.00 0.00 -3.38 1.61 3.00 -1.24 -3.17 116.66 113.48 1mw4 n ARG 23 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 1mw4 n ARG 23 Cb 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 32.46 31.35 1mw4 n ARG 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1mw4 s ILE 24 N 3.98 -0.22 -0.90 5.15 1.01 -1.16 -4.96 121.20 124.11 1mw4 s ILE 24 Ca 1.08 -1.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 1mw4 s ILE 24 Cb -0.86 -0.77 -0.22 0.00 0.01 0.00 0.00 42.46 40.61 1mw4 s ILE 24 CO 0.42 -0.69 2.46 -1.20 0.00 0.00 0.00 174.94 175.93 1mw4 n SER 25 N 4.16 0.24 0.01 3.58 7.64 -1.26 -4.80 113.62 123.19 1mw4 n SER 25 Ca 0.12 -0.34 -0.13 0.00 1.01 0.00 0.00 58.87 59.52 1mw4 n SER 25 Cb 0.43 -0.99 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 1mw4 n SER 25 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1mw4 h ARG 26 N 12.98 -0.50 -0.84 1.43 -0.00 -1.96 1.39 114.38 126.88 1mw4 h ARG 26 Ca -0.05 0.03 0.20 0.00 -0.00 0.00 0.00 59.98 60.16 1mw4 h ARG 26 Cb 1.21 0.11 -0.12 0.00 -0.00 0.00 0.00 29.97 31.18 1mw4 h ARG 26 CO 1.38 -0.34 0.31 1.05 -0.00 0.00 0.00 179.97 182.38 1mw4 h GLU 27 N -0.52 0.35 0.17 0.08 9.09 -2.01 0.01 114.58 121.74 1mw4 h GLU 27 Ca 0.06 -0.02 -0.30 0.00 0.05 0.00 0.00 59.36 59.16 1mw4 h GLU 27 Cb 0.64 -0.08 0.02 0.00 -1.65 0.00 0.00 28.75 27.68 1mw4 h GLU 27 CO -0.39 0.23 -1.33 0.93 0.05 0.00 0.00 179.01 178.50 1mw4 h GLU 28 N 0.36 0.36 -0.17 1.06 4.39 -1.74 -3.28 114.58 115.56 1mw4 h GLU 28 Ca 0.50 -0.61 0.04 0.00 0.34 0.00 0.00 59.36 59.64 1mw4 h GLU 28 Cb 0.91 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1mw4 h GLU 28 CO -0.52 1.29 0.12 1.03 -1.16 0.00 0.00 179.01 179.77 1mw4 h SER 29 N 0.10 0.02 -0.34 1.42 0.87 0.34 -0.94 113.55 115.01 1mw4 h SER 29 Ca -0.18 -0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1mw4 h SER 29 Cb 2.04 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.98 1mw4 h SER 29 CO 0.23 0.01 0.23 1.56 -0.53 0.00 0.00 176.83 178.33 1mw4 h GLN 30 N 0.02 0.27 0.00 2.24 1.08 -1.12 0.20 115.11 117.81 1mw4 h GLN 30 Ca 0.08 -0.02 -0.27 0.00 -1.45 0.00 0.00 58.65 57.00 1mw4 h GLN 30 Cb 0.29 -0.06 0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1mw4 h GLN 30 CO -0.00 0.18 -1.04 -0.09 -0.95 0.00 0.00 178.83 176.92 1mw4 h ARG 31 N 0.28 0.68 0.31 1.46 9.65 -1.36 -1.08 114.38 124.33 1mw4 h ARG 31 Ca 0.15 -0.74 -0.01 0.00 -1.10 0.00 0.00 59.98 58.27 1mw4 h ARG 31 Cb 0.23 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1mw4 h ARG 31 CO -0.03 1.31 -0.15 -0.07 2.80 0.00 0.00 179.97 183.84 1mw4 h LEU 32 N 0.38 -0.35 0.00 3.80 4.07 -1.24 -3.26 115.31 118.72 1mw4 h LEU 32 Ca -0.13 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1mw4 h LEU 32 Cb 1.70 0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.53 1mw4 h LEU 32 CO 0.20 0.02 0.00 -0.38 -1.08 0.00 0.00 178.44 177.20 1mw4 n ILE 33 N -4.60 0.61 -0.72 1.22 -0.00 0.61 -2.48 119.36 114.00 1mw4 n ILE 33 Ca -0.05 0.15 -0.06 0.00 -0.00 0.00 0.00 62.75 62.79 1mw4 n ILE 33 Cb 0.16 -0.88 0.26 0.00 -0.00 0.00 0.00 39.64 39.18 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 0.11 3.36 0.00 7.39 0.00 -0.41 -3.40 105.19 112.24 1mw4 n GLY 34 Ca 0.07 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.11 2.54 -2.13 1.61 -0.00 -1.04 -4.94 117.38 113.32 1mw4 n GLN 35 Ca 0.35 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.00 56.93 1mw4 n GLN 35 Cb 1.25 -1.12 -0.02 0.00 -0.00 0.00 0.00 30.24 30.35 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 -2.28 4.36 -0.03 2.61 -0.21 -1.22 -4.93 119.66 117.96 1mw4 s GLN 36 Ca 0.04 2.20 0.22 0.00 0.02 0.00 0.00 55.36 57.84 1mw4 s GLN 36 Cb 0.09 -3.07 0.68 0.00 1.00 0.00 0.00 33.01 31.72 1mw4 s GLN 36 CO 0.52 -0.18 1.58 0.41 -2.12 0.00 0.00 175.29 175.50 1mw4 n GLY 37 N 0.81 2.56 3.93 3.09 0.00 -1.26 -4.90 105.19 109.42 1mw4 n GLY 37 Ca -0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.25 2.68 0.93 0.99 2.01 -1.26 -5.00 118.68 117.79 1mw4 s LEU 38 Ca 0.51 0.35 -0.15 0.00 0.01 0.00 0.00 54.13 54.84 1mw4 s LEU 38 Cb 0.28 -2.47 0.18 0.00 0.01 0.00 0.00 46.19 44.18 1mw4 s LEU 38 CO 0.31 -2.58 1.29 0.68 1.01 0.00 0.00 176.35 177.07 1mw4 s VAL 39 N -3.83 2.00 -0.25 -1.59 -7.23 -1.26 -3.91 120.40 104.34 1mw4 s VAL 39 Ca 0.72 -0.01 -0.03 0.00 -1.81 0.00 0.00 61.98 60.85 1mw4 s VAL 39 Cb -0.05 -3.00 -0.08 0.00 0.56 0.00 0.00 36.38 33.81 1mw4 s VAL 39 CO 0.52 0.00 1.78 0.47 -0.31 0.00 0.00 175.10 177.56 1mw4 n ASP 40 N -3.68 2.67 0.00 4.85 8.00 -1.17 -2.95 116.55 124.27 1mw4 n ASP 40 Ca 0.14 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1mw4 n ASP 40 Cb 0.60 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1mw4 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mw4 n GLY 41 N 3.18 0.70 3.34 0.44 0.00 -1.12 -3.93 105.19 107.80 1mw4 n GLY 41 Ca 0.23 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.00 6.05 0.25 0.99 2.01 -1.15 -1.21 118.68 125.62 1mw4 s LEU 42 Ca 0.00 -1.93 0.10 0.00 0.01 0.00 0.00 54.13 52.31 1mw4 s LEU 42 Cb 0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.91 1mw4 s LEU 42 CO 0.00 -0.87 -0.03 0.72 1.01 0.00 0.00 176.35 177.18 1mw4 s PHE 43 N 1.61 2.66 0.00 0.29 -0.71 -1.16 0.27 117.98 120.94 1mw4 s PHE 43 Ca 0.11 -0.23 -0.01 0.00 -1.04 0.00 0.00 56.93 55.76 1mw4 s PHE 43 Cb -0.22 -1.19 -0.01 0.00 -1.21 0.00 0.00 43.02 40.39 1mw4 s PHE 43 CO 0.00 0.61 0.00 -1.17 -1.34 0.00 0.00 175.22 173.33 1mw4 s LEU 44 N -3.54 2.04 -0.98 -1.99 2.96 0.33 -4.03 118.68 113.47 1mw4 s LEU 44 Ca 0.30 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.91 1mw4 s LEU 44 Cb -0.07 0.10 0.24 0.00 0.50 0.00 0.00 46.19 46.97 1mw4 s LEU 44 CO 0.19 -0.14 0.97 -0.69 -1.32 0.00 0.00 176.35 175.36 1mw4 s VAL 45 N -0.63 5.77 0.34 1.68 1.01 -1.06 0.19 120.40 127.70 1mw4 s VAL 45 Ca -0.07 -2.93 0.09 0.00 0.00 0.00 0.00 61.98 59.07 1mw4 s VAL 45 Cb -0.04 -4.56 -0.07 0.00 0.00 0.00 0.00 36.38 31.71 1mw4 s VAL 45 CO -0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 175.10 173.89 1mw4 s ARG 46 N -0.44 1.78 0.00 2.72 1.04 -0.66 -2.76 118.95 120.63 1mw4 s ARG 46 Ca 0.25 -1.93 0.00 0.00 -1.04 0.00 0.00 55.73 53.02 1mw4 s ARG 46 Cb -0.10 -1.57 0.00 0.00 -2.04 0.00 0.00 34.95 31.25 1mw4 s ARG 46 CO -0.08 0.09 0.00 -0.85 -0.04 0.00 0.00 175.30 174.42 1mw4 n GLU 47 N -0.77 0.00 -4.17 3.89 0.00 0.35 -1.93 120.64 118.02 1mw4 n GLU 47 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 56.95 1mw4 n GLU 47 Cb 0.64 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.95 1mw4 n GLU 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1mw4 s SER 48 N 1.12 0.91 -0.15 -1.84 1.04 -1.20 -2.99 113.70 110.60 1mw4 s SER 48 Ca 0.00 -0.34 0.16 0.00 0.48 0.00 0.00 55.95 56.25 1mw4 s SER 48 Cb 0.00 -0.04 0.72 0.00 0.10 0.00 0.00 66.02 66.80 1mw4 s SER 48 CO 0.00 -0.04 1.62 0.00 0.98 0.00 0.00 173.24 175.80 1mw4 n GLN 49 N 2.18 4.00 -0.08 4.02 -0.00 -1.26 -4.02 117.38 122.22 1mw4 n GLN 49 Ca -0.18 -2.81 -0.10 0.00 -0.00 0.00 0.00 57.00 53.92 1mw4 n GLN 49 Cb 0.56 -2.00 -0.10 0.00 -0.00 0.00 0.00 30.24 28.70 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 0.89 1.02 -2.76 2.61 0.63 -1.26 -4.95 116.66 112.84 1mw4 n ARG 50 Ca 0.25 0.05 -0.42 0.00 -0.92 0.00 0.00 57.85 56.82 1mw4 n ARG 50 Cb 0.96 -1.37 -0.03 0.00 0.45 0.00 0.00 32.46 32.47 1mw4 n ARG 50 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1mw4 s ASN 51 N -5.32 7.31 0.47 6.15 0.02 -1.26 -4.91 114.94 117.40 1mw4 s ASN 51 Ca -0.17 1.58 0.34 0.00 -1.02 0.00 0.00 52.86 53.60 1mw4 s ASN 51 Cb 0.05 -2.54 1.48 0.00 0.02 0.00 0.00 41.25 40.26 1mw4 s ASN 51 CO 0.51 -0.24 1.64 -0.65 0.02 0.00 0.00 177.10 178.38 1mw4 h PRO 52 N 6.80 0.07 -0.99 -0.60 0.11 -1.92 -2.75 132.00 132.72 1mw4 h PRO 52 Ca -0.41 -0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.32 1mw4 h PRO 52 Cb 1.22 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 1mw4 h PRO 52 CO 0.75 0.05 -0.80 0.00 -0.21 0.00 0.00 178.00 177.79 1mw4 n GLN 53 N -4.49 0.85 -3.53 1.05 0.00 -1.26 -5.11 117.38 104.89 1mw4 n GLN 53 Ca 0.37 -2.54 -0.40 0.00 0.00 0.00 0.00 57.00 54.42 1mw4 n GLN 53 Cb 1.50 -1.35 -0.11 0.00 0.00 0.00 0.00 30.24 30.29 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 -1.62 1.96 -0.11 2.61 0.00 -1.04 -4.10 107.32 105.02 1mw4 s GLY 54 Ca 0.32 -1.35 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 1mw4 s GLY 54 CO -0.13 0.78 -0.02 -1.36 0.00 0.00 0.00 173.10 172.37 1mw4 s PHE 55 N 1.74 1.06 0.13 1.90 0.40 -1.26 -3.20 117.98 118.75 1mw4 s PHE 55 Ca 0.06 -0.54 0.07 0.00 -0.60 0.00 0.00 56.93 55.93 1mw4 s PHE 55 Cb -0.17 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 1mw4 s PHE 55 CO 0.11 -0.46 -0.16 0.54 0.70 0.00 0.00 175.22 175.95 1mw4 s VAL 56 N 1.85 1.51 -0.23 -0.44 0.11 -0.81 -3.48 120.40 118.91 1mw4 s VAL 56 Ca 0.04 -1.76 -0.03 0.00 -2.93 0.00 0.00 61.98 57.30 1mw4 s VAL 56 Cb -0.13 -1.62 0.01 0.00 -1.53 0.00 0.00 36.38 33.10 1mw4 s VAL 56 CO -0.07 -0.35 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.07 1mw4 s LEU 57 N -2.47 3.00 -0.12 2.54 0.20 -0.89 -1.65 118.68 119.29 1mw4 s LEU 57 Ca 0.11 -0.60 -0.10 0.00 0.69 0.00 0.00 54.13 54.22 1mw4 s LEU 57 Cb -0.06 -1.70 -0.05 0.00 -0.43 0.00 0.00 46.19 43.96 1mw4 s LEU 57 CO 0.04 -0.07 0.21 -0.44 -0.29 0.00 0.00 176.35 175.80 1mw4 s SER 58 N 1.41 6.43 0.43 3.68 0.01 0.52 -1.92 113.70 124.27 1mw4 s SER 58 Ca 0.04 0.51 0.08 0.00 1.31 0.00 0.00 55.95 57.89 1mw4 s SER 58 Cb -0.15 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 1mw4 s SER 58 CO -0.04 0.30 0.40 -0.76 0.41 0.00 0.00 173.24 173.55 1mw4 s LEU 59 N -0.52 3.33 -0.36 2.44 1.43 -0.82 0.12 118.68 124.30 1mw4 s LEU 59 Ca 0.15 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1mw4 s LEU 59 Cb -0.13 -1.98 0.15 0.00 0.03 0.00 0.00 46.19 44.26 1mw4 s LEU 59 CO 0.04 -0.72 0.26 0.00 0.23 0.00 0.00 176.35 176.16 1mw4 s HIS 61 N 0.96 3.51 -0.53 0.00 5.04 0.92 -3.04 115.29 122.15 1mw4 s HIS 61 Ca 0.20 0.58 -0.02 0.00 -1.54 0.00 0.00 55.06 54.29 1mw4 s HIS 61 Cb -0.17 -2.15 0.26 0.00 0.04 0.00 0.00 32.58 30.55 1mw4 s HIS 61 CO -0.03 -0.14 2.22 1.47 -2.34 0.00 0.00 174.74 175.92 1mw4 n LEU 62 N -2.07 6.98 0.00 8.88 -0.00 -1.25 -3.08 117.00 126.45 1mw4 n LEU 62 Ca -0.01 -4.01 0.00 0.00 -0.00 0.00 0.00 56.01 51.99 1mw4 n LEU 62 Cb 0.56 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 1mw4 n LEU 62 CO 0.51 1.51 0.00 0.00 -0.00 0.00 0.00 177.39 179.41 1mw4 n GLN 63 N 0.00 0.00 -1.50 1.47 1.13 -1.26 -5.07 117.38 112.15 1mw4 n GLN 63 Ca 0.47 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.53 1mw4 n GLN 63 Cb 0.54 -0.19 -0.00 0.00 0.11 0.00 0.00 30.24 30.70 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 -1.56 0.05 -4.00 -1.09 2.85 -1.18 -5.11 118.16 108.12 1mw4 n LYS 64 Ca 0.00 -0.16 -0.09 0.00 -1.05 0.00 0.00 58.31 57.02 1mw4 n LYS 64 Cb 0.00 0.17 -0.11 0.00 -0.65 0.00 0.00 35.03 34.44 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 -2.65 0.13 0.30 0.58 -7.23 -1.26 -0.05 120.40 110.22 1mw4 s VAL 65 Ca 0.01 -1.10 0.05 0.00 -1.81 0.00 0.00 61.98 59.14 1mw4 s VAL 65 Cb -0.00 -0.54 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 1mw4 s VAL 65 CO 0.01 -0.60 0.26 -1.59 -0.31 0.00 0.00 175.10 172.86 1mw4 s LYS 66 N -1.99 1.65 -0.04 4.82 -2.85 -1.18 -4.86 119.74 115.30 1mw4 s LYS 66 Ca -0.11 -1.92 -0.01 0.00 -1.00 0.00 0.00 55.97 52.92 1mw4 s LYS 66 Cb -0.06 0.32 0.03 0.00 -2.06 0.00 0.00 37.83 36.06 1mw4 s LYS 66 CO -0.03 -0.60 0.06 -1.01 0.10 0.00 0.00 175.35 173.87 1mw4 s HIS 67 N -3.58 0.02 -0.58 1.78 3.76 -1.26 -1.95 115.29 113.49 1mw4 s HIS 67 Ca 0.40 0.25 -0.06 0.00 -0.15 0.00 0.00 55.06 55.50 1mw4 s HIS 67 Cb 0.03 -0.37 0.15 0.00 1.11 0.00 0.00 32.58 33.50 1mw4 s HIS 67 CO 0.24 -0.16 0.42 0.71 -0.85 0.00 0.00 174.74 175.10 1mw4 s TYR 68 N 1.78 3.49 -0.05 1.40 1.51 -0.81 -4.90 117.35 119.78 1mw4 s TYR 68 Ca -0.00 -2.37 -0.02 0.00 -1.01 0.00 0.00 57.07 53.67 1mw4 s TYR 68 Cb -0.12 -3.36 0.04 0.00 -0.11 0.00 0.00 41.96 38.41 1mw4 s TYR 68 CO -0.03 -0.92 0.09 -0.48 -1.11 0.00 0.00 175.55 173.10 1mw4 s LEU 69 N 0.52 0.29 0.00 -1.29 0.05 -1.23 -2.08 118.68 114.94 1mw4 s LEU 69 Ca 0.13 0.17 0.00 0.00 0.05 0.00 0.00 54.13 54.48 1mw4 s LEU 69 Cb -0.21 0.05 0.00 0.00 -2.05 0.00 0.00 46.19 43.98 1mw4 s LEU 69 CO -0.04 -0.22 0.00 -0.38 -0.55 0.00 0.00 176.35 175.17 1mw4 n ILE 70 N 5.01 0.00 -3.70 1.48 5.41 -1.23 -4.70 119.36 121.62 1mw4 n ILE 70 Ca -0.10 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.48 1mw4 n ILE 70 Cb 0.50 -0.13 -0.16 0.00 -0.71 0.00 0.00 39.64 39.14 1mw4 n ILE 70 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1mw4 s LEU 71 N -3.62 0.38 0.00 1.39 1.02 -1.07 -4.73 118.68 112.05 1mw4 s LEU 71 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.32 1mw4 s LEU 71 Cb 0.00 0.07 0.00 0.00 0.02 0.00 0.00 46.19 46.28 1mw4 s LEU 71 CO 0.00 -0.21 0.00 -0.81 0.02 0.00 0.00 176.35 175.35 1mw4 n PRO 72 N 4.89 1.57 -2.68 1.29 -0.04 -1.26 -2.20 135.00 136.57 1mw4 n PRO 72 Ca -0.13 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.90 1mw4 n PRO 72 Cb 0.50 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.94 1mw4 n PRO 72 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1mw4 s SER 73 N -1.56 6.94 0.57 3.54 1.04 -1.26 -2.29 113.70 120.68 1mw4 s SER 73 Ca 0.00 1.08 0.08 0.00 0.48 0.00 0.00 55.95 57.59 1mw4 s SER 73 Cb 0.00 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 63.67 1mw4 s SER 73 CO 0.00 -0.80 0.65 -0.62 0.98 0.00 0.00 173.24 173.44 1mw4 n GLU 74 N 6.67 0.63 -0.52 4.02 4.71 -1.15 -5.01 120.64 130.00 1mw4 n GLU 74 Ca 0.11 -3.27 0.08 0.00 -0.01 0.00 0.00 57.16 54.08 1mw4 n GLU 74 Cb 0.47 0.01 0.31 0.00 -1.01 0.00 0.00 31.44 31.22 1mw4 n GLU 74 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1mw4 n GLU 75 N -2.08 3.28 -0.00 3.49 1.02 -1.26 -3.35 120.64 121.74 1mw4 n GLU 75 Ca 0.09 -2.46 0.08 0.00 -0.02 0.00 0.00 57.16 54.85 1mw4 n GLU 75 Cb 0.61 -1.78 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 1mw4 n GLU 75 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1mw4 n GLU 76 N 1.00 1.11 0.00 3.49 2.13 -1.26 -5.06 120.64 122.05 1mw4 n GLU 76 Ca 0.22 -0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1mw4 n GLU 76 Cb 0.76 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 31.15 1mw4 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mw4 n GLY 77 N 1.48 1.74 0.00 8.31 0.00 -1.21 -5.16 105.19 110.34 1mw4 n GLY 77 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1mw4 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mw4 n ARG 78 N 0.00 0.00 -2.33 1.61 5.12 -1.26 -3.98 116.66 115.82 1mw4 n ARG 78 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 1mw4 n ARG 78 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1mw4 n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1mw4 s LEU 79 N 0.00 4.36 -0.94 0.55 1.43 -0.63 -2.93 118.68 120.52 1mw4 s LEU 79 Ca 0.00 2.11 -0.10 0.00 -1.03 0.00 0.00 54.13 55.11 1mw4 s LEU 79 Cb 0.00 -3.58 0.24 0.00 0.03 0.00 0.00 46.19 42.88 1mw4 s LEU 79 CO 0.00 -0.56 0.88 -0.31 0.23 0.00 0.00 176.35 176.60 1mw4 s TYR 80 N 1.25 3.96 0.29 0.29 1.51 -0.94 0.16 117.35 123.88 1mw4 s TYR 80 Ca 0.61 -2.43 -0.08 0.00 -1.01 0.00 0.00 57.07 54.15 1mw4 s TYR 80 Cb -0.32 -3.73 0.00 0.00 -0.11 0.00 0.00 41.96 37.81 1mw4 s TYR 80 CO 0.29 -0.94 0.48 -0.06 -1.11 0.00 0.00 175.55 174.21 1mw4 s PHE 81 N -0.58 0.66 0.00 2.71 0.08 -1.26 -2.59 117.98 117.00 1mw4 s PHE 81 Ca 0.24 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1mw4 s PHE 81 Cb -0.11 0.08 0.00 0.00 -0.57 0.00 0.00 43.02 42.43 1mw4 s PHE 81 CO -0.08 -1.07 0.00 0.43 -0.10 0.00 0.00 175.22 174.40 1mw4 n SER 82 N -0.84 0.00 -2.35 1.36 7.64 -1.26 0.11 113.62 118.28 1mw4 n SER 82 Ca -0.01 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.78 1mw4 n SER 82 Cb 0.62 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.81 1mw4 n SER 82 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1mw4 n MET 83 N 0.00 0.59 -0.27 1.43 1.56 -1.26 -4.88 117.12 114.29 1mw4 n MET 83 Ca 0.00 -1.83 0.20 0.00 -0.27 0.00 0.00 57.70 55.80 1mw4 n MET 83 Cb 0.00 1.90 0.51 0.00 2.15 0.00 0.00 33.22 37.78 1mw4 n MET 83 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 1mw4 h ASP 84 N 1.38 0.42 -1.06 6.12 5.19 -1.98 -2.96 116.42 123.52 1mw4 h ASP 84 Ca -0.20 0.05 -0.37 0.00 -0.62 0.00 0.00 57.03 55.89 1mw4 h ASP 84 Cb 0.84 -0.02 -0.39 0.00 0.18 0.00 0.00 39.33 39.93 1mw4 h ASP 84 CO 0.27 0.14 -1.18 0.47 -3.12 0.00 0.00 179.24 175.82 1mw4 n ASP 85 N -4.54 1.31 -4.11 6.45 8.00 -1.26 -5.12 116.55 117.29 1mw4 n ASP 85 Ca 0.21 -2.73 -0.19 0.00 0.71 0.00 0.00 54.79 52.79 1mw4 n ASP 85 Cb 0.76 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 41.26 1mw4 n ASP 85 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1mw4 s GLY 86 N -3.02 2.00 -0.41 0.44 0.00 -1.12 -5.11 107.32 100.10 1mw4 s GLY 86 Ca 0.28 -1.76 0.05 0.00 0.00 0.00 0.00 44.72 43.29 1mw4 s GLY 86 CO 0.03 -1.61 0.41 0.61 0.00 0.00 0.00 173.10 172.54 1mw4 n GLN 87 N -0.57 0.36 -0.18 2.90 10.64 -1.26 -4.06 117.38 125.20 1mw4 n GLN 87 Ca 0.00 -3.13 0.05 0.00 -1.83 0.00 0.00 57.00 52.09 1mw4 n GLN 87 Cb 0.65 -1.52 0.14 0.00 -0.86 0.00 0.00 30.24 28.66 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 2.39 1.24 -0.73 -0.39 -2.24 -1.00 -4.95 114.28 108.60 1mw4 n THR 88 Ca 0.27 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 1mw4 n THR 88 Cb 0.50 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 0.11 0.00 0.00 -0.78 -4.01 0.29 -4.53 116.66 107.74 1mw4 n ARG 89 Ca 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 1mw4 n ARG 89 Cb 0.48 -0.97 0.00 0.00 -3.04 0.00 0.00 32.46 28.93 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 2.92 0.00 -1.80 2.89 1.16 0.42 -4.42 117.46 118.63 1mw4 n PHE 90 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.33 1mw4 n PHE 90 Cb 0.12 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.94 1mw4 n PHE 90 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1mw4 s THR 91 N -1.11 3.21 -0.18 1.97 -1.32 -1.26 -1.61 115.64 115.34 1mw4 s THR 91 Ca 0.00 -0.09 -0.21 0.00 -1.21 0.00 0.00 61.69 60.18 1mw4 s THR 91 Cb 0.00 -3.49 -0.21 0.00 -1.51 0.00 0.00 72.50 67.29 1mw4 s THR 91 CO 0.00 -0.47 0.33 -0.78 -2.21 0.00 0.00 174.62 171.49 1mw4 h ASP 92 N 13.72 0.06 -0.16 8.08 1.82 -1.88 -3.35 116.42 134.71 1mw4 h ASP 92 Ca -0.05 -0.63 0.02 0.00 -0.39 0.00 0.00 57.03 55.97 1mw4 h ASP 92 Cb 1.07 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.04 1mw4 h ASP 92 CO 1.13 1.46 -0.11 0.25 -1.61 0.00 0.00 179.24 180.36 1mw4 h LEU 93 N -0.87 -0.41 -0.72 2.28 5.85 -1.97 1.37 115.31 120.84 1mw4 h LEU 93 Ca -0.30 0.06 0.16 0.00 0.84 0.00 0.00 57.88 58.64 1mw4 h LEU 93 Cb 1.35 0.18 -0.13 0.00 0.37 0.00 0.00 40.66 42.44 1mw4 h LEU 93 CO -0.14 -0.05 -0.00 0.25 -0.34 0.00 0.00 178.44 178.16 1mw4 h LEU 94 N -0.02 -0.34 -0.23 2.25 7.12 -1.98 0.00 115.31 122.11 1mw4 h LEU 94 Ca 0.03 0.19 -0.02 0.00 0.13 0.00 0.00 57.88 58.21 1mw4 h LEU 94 Cb 0.09 0.33 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1mw4 h LEU 94 CO -0.17 -0.16 0.07 1.56 -0.13 0.00 0.00 178.44 179.61 1mw4 h GLN 95 N 0.10 0.35 -1.03 1.25 1.08 -1.31 -2.55 115.11 113.02 1mw4 h GLN 95 Ca 0.39 -0.07 0.27 0.00 -1.45 0.00 0.00 58.65 57.79 1mw4 h GLN 95 Cb 0.67 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.98 1mw4 h GLN 95 CO -0.64 0.43 0.70 1.25 -0.95 0.00 0.00 178.83 179.62 1mw4 h LEU 96 N 0.20 0.26 0.31 1.46 6.46 0.36 0.98 115.31 125.35 1mw4 h LEU 96 Ca 0.07 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1mw4 h LEU 96 Cb 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1mw4 h LEU 96 CO -0.00 0.06 -0.15 0.58 -0.62 0.00 0.00 178.44 178.31 1mw4 h VAL 97 N 0.24 0.00 -0.00 1.05 2.07 -0.87 -1.19 116.25 117.55 1mw4 h VAL 97 Ca 0.54 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.94 1mw4 h VAL 97 Cb 1.66 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1mw4 h VAL 97 CO -0.16 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 177.35 1mw4 h GLU 98 N -0.53 0.01 0.00 1.57 4.81 -1.37 -2.93 114.58 116.14 1mw4 h GLU 98 Ca -0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1mw4 h GLU 98 Cb 0.32 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1mw4 h GLU 98 CO 0.07 0.41 0.00 1.19 -0.73 0.00 0.00 179.01 179.95 1mw4 n PHE 99 N -4.89 0.05 -0.43 0.92 3.01 0.34 -3.10 117.46 113.36 1mw4 n PHE 99 Ca -0.08 0.02 0.35 0.00 1.01 0.00 0.00 57.45 58.75 1mw4 n PHE 99 Cb 0.22 -0.54 0.64 0.00 -0.01 0.00 0.00 39.48 39.78 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 0.50 0.19 1.38 2.07 -1.01 0.88 115.15 119.17 1mw4 h HIS 100 Ca 0.00 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 1mw4 h HIS 100 Cb 0.13 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1mw4 h HIS 100 CO 0.00 -0.15 -0.09 -0.56 -3.07 0.00 0.00 177.93 174.06 1mw4 h GLN 101 N 0.13 -0.25 -2.01 5.12 3.07 -1.78 -3.10 115.11 116.29 1mw4 h GLN 101 Ca 0.78 0.02 -0.55 0.00 0.09 0.00 0.00 58.65 58.99 1mw4 h GLN 101 Cb 2.43 0.06 -0.39 0.00 0.08 0.00 0.00 27.48 29.66 1mw4 h GLN 101 CO -0.37 0.05 -1.11 1.28 0.09 0.00 0.00 178.83 178.77 1mw4 n LEU 102 N -5.08 0.37 0.00 0.06 7.99 0.13 -4.70 117.00 115.79 1mw4 n LEU 102 Ca -0.09 -4.76 0.00 0.00 -0.01 0.00 0.00 56.01 51.15 1mw4 n LEU 102 Cb 0.22 0.62 0.00 0.00 -0.11 0.00 0.00 43.42 44.15 1mw4 n LEU 102 CO 0.32 2.11 0.00 -0.46 -1.51 0.00 0.00 177.39 177.85 1mw4 n ASN 103 N 1.21 0.00 -3.97 -1.43 2.04 0.26 -4.90 115.26 108.47 1mw4 n ASN 103 Ca 0.22 -0.70 -0.43 0.00 -0.44 0.00 0.00 54.58 53.23 1mw4 n ASN 103 Cb 0.55 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.81 1mw4 n ASN 103 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1mw4 n ARG 104 N -0.70 4.45 0.00 -3.83 3.00 -1.26 -4.48 116.66 113.83 1mw4 n ARG 104 Ca 0.00 -4.44 0.00 0.00 -0.01 0.00 0.00 57.85 53.40 1mw4 n ARG 104 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 32.46 29.91 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 1.41 -0.98 3.91 -0.13 0.00 -1.16 -4.88 105.19 103.36 1mw4 n GLY 105 Ca 0.29 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1mw4 n GLY 105 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mw4 s ILE 106 N 0.00 2.68 0.00 -0.61 -0.00 -1.25 -5.00 121.20 117.02 1mw4 s ILE 106 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 1mw4 s ILE 106 Cb 0.00 -3.17 0.00 0.00 -0.00 0.00 0.00 42.46 39.29 1mw4 s ILE 106 CO 0.00 -0.20 0.30 0.18 -0.00 0.00 0.00 174.94 175.22 1mw4 n LEU 107 N -2.97 0.00 -0.01 0.37 4.77 -1.26 -4.49 117.00 113.41 1mw4 n LEU 107 Ca 0.07 0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1mw4 n LEU 107 Cb 0.59 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1mw4 n LEU 107 CO 0.54 -0.06 -0.09 -0.81 -1.33 0.00 0.00 177.39 175.65 1mw4 n PRO 108 N -1.19 0.07 -0.06 3.23 -0.04 -1.26 -5.08 135.00 130.68 1mw4 n PRO 108 Ca 0.00 0.03 -0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1mw4 n PRO 108 Cb 0.00 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1mw4 n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mw4 n LEU 110 N 0.00 -0.04 -1.43 0.00 7.99 -1.26 -4.63 117.00 117.63 1mw4 n LEU 110 Ca 0.00 0.55 -0.11 0.00 -0.01 0.00 0.00 56.01 56.45 1mw4 n LEU 110 Cb 0.01 -0.44 0.16 0.00 -0.11 0.00 0.00 43.42 43.03 1mw4 n LEU 110 CO 0.00 -0.94 0.67 0.00 -1.51 0.00 0.00 177.39 175.61 1mw4 n LEU 111 N 0.73 4.61 -4.27 2.23 -0.00 -1.26 -3.78 117.00 115.26 1mw4 n LEU 111 Ca 0.09 -4.02 -0.26 0.00 -0.00 0.00 0.00 56.01 51.83 1mw4 n LEU 111 Cb 0.04 -0.62 -0.14 0.00 -0.00 0.00 0.00 43.42 42.71 1mw4 n LEU 111 CO 0.29 1.45 -0.53 -0.13 -0.00 0.00 0.00 177.39 178.47 1mw4 s ARG 112 N -3.38 1.36 0.16 1.47 0.52 -1.25 -2.63 118.95 115.20 1mw4 s ARG 112 Ca 0.48 -1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 54.55 1mw4 s ARG 112 Cb 0.42 -1.53 0.01 0.00 0.52 0.00 0.00 34.95 34.36 1mw4 s ARG 112 CO 0.00 0.38 0.34 -3.38 0.02 0.00 0.00 175.30 172.67 1mw4 s HIS 113 N -0.89 0.18 0.00 -0.53 -3.43 -1.17 -2.80 115.29 106.65 1mw4 s HIS 113 Ca 0.08 -0.55 0.00 0.00 -0.80 0.00 0.00 55.06 53.79 1mw4 s HIS 113 Cb -0.09 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 1mw4 s HIS 113 CO 0.03 -0.75 0.00 0.00 -2.00 0.00 0.00 174.74 172.02 1mw4 s THR 116 N -0.99 3.52 -0.68 0.00 2.01 -1.26 -2.97 115.64 115.27 1mw4 s THR 116 Ca 0.00 -1.71 0.05 0.00 0.31 0.00 0.00 61.69 60.34 1mw4 s THR 116 Cb 0.00 -2.83 0.26 0.00 0.01 0.00 0.00 72.50 69.95 1mw4 s THR 116 CO 0.00 -0.25 0.84 -1.14 -0.69 0.00 0.00 174.62 173.38 1mw4 n ARG 117 N -0.51 2.78 0.00 4.92 3.00 -1.26 -4.80 116.66 120.79 1mw4 n ARG 117 Ca -0.08 -4.68 0.00 0.00 -0.00 0.00 0.00 57.85 53.09 1mw4 n ARG 117 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 30.75 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 0.81 0.00 -0.41 5.15 0.24 -1.26 -4.97 118.33 117.89 1mw4 n VAL 118 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 1mw4 n VAL 118 Cb 0.40 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.52 0.00 0.00 2.33 0.00 -1.26 -5.28 120.51 113.78 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