#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mw4 h SER 2 N 0.00 -0.03 -1.45 1.61 0.87 -2.06 -3.40 113.55 109.09 1mw4 h SER 2 Ca 0.00 -0.51 -0.47 0.00 -1.23 0.00 0.00 61.79 59.58 1mw4 h SER 2 Cb 0.00 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1mw4 h SER 2 CO 0.00 0.51 1.14 -2.16 -0.53 0.00 0.00 176.83 175.79 1mw4 s PRO 3 N -4.02 2.94 -0.30 2.24 0.04 -1.26 -4.67 135.00 129.98 1mw4 s PRO 3 Ca -0.16 -0.25 0.18 0.00 0.04 0.00 0.00 61.00 60.81 1mw4 s PRO 3 Cb 0.01 -4.79 0.46 0.00 0.04 0.00 0.00 34.50 30.21 1mw4 s PRO 3 CO 0.66 -2.70 1.33 0.00 0.04 0.00 0.00 177.00 176.32 1mw4 n ALA 4 N 11.57 2.75 -2.32 8.56 0.00 -1.26 -5.12 120.51 134.69 1mw4 n ALA 4 Ca 0.26 -1.87 -0.19 0.00 0.00 0.00 0.00 53.44 51.64 1mw4 n ALA 4 Cb 0.50 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 1mw4 n ALA 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1mw4 s SER 5 N -2.46 1.62 -0.30 0.00 0.01 -1.26 -5.17 113.70 106.14 1mw4 s SER 5 Ca 0.18 -1.74 -0.19 0.00 1.31 0.00 0.00 55.95 55.51 1mw4 s SER 5 Cb 0.38 0.56 0.20 0.00 0.21 0.00 0.00 66.02 67.37 1mw4 s SER 5 CO -0.08 -1.08 1.28 -0.83 0.41 0.00 0.00 173.24 172.94 1mw4 s GLY 6 N -3.36 0.34 0.12 3.44 0.00 -1.26 -5.10 107.32 101.49 1mw4 s GLY 6 Ca 0.40 3.69 -0.09 0.00 0.00 0.00 0.00 44.72 48.72 1mw4 s GLY 6 CO 0.27 3.29 0.25 -1.59 0.00 0.00 0.00 173.10 175.31 1mw4 s THR 7 N 1.89 0.11 -0.30 0.90 2.01 -1.26 -5.14 115.64 113.85 1mw4 s THR 7 Ca -0.01 -1.20 -0.06 0.00 0.31 0.00 0.00 61.69 60.73 1mw4 s THR 7 Cb -0.01 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.01 1mw4 s THR 7 CO -0.15 -0.49 0.07 -0.44 -0.69 0.00 0.00 174.62 172.91 1mw4 s SER 8 N -2.89 5.06 0.21 3.53 0.01 -1.26 -4.92 113.70 113.43 1mw4 s SER 8 Ca 0.09 -0.81 -0.11 0.00 1.31 0.00 0.00 55.95 56.43 1mw4 s SER 8 Cb 0.04 -1.85 -0.00 0.00 0.21 0.00 0.00 66.02 64.41 1mw4 s SER 8 CO -0.07 -0.21 0.39 -0.76 0.41 0.00 0.00 173.24 173.00 1mw4 s LEU 9 N 1.46 0.58 0.04 2.44 1.43 -1.26 -5.18 118.68 118.19 1mw4 s LEU 9 Ca 0.01 -0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 52.10 1mw4 s LEU 9 Cb -0.18 1.51 0.02 0.00 0.03 0.00 0.00 46.19 47.58 1mw4 s LEU 9 CO 0.02 -1.02 0.31 -0.55 0.23 0.00 0.00 176.35 175.34 1mw4 s SER 10 N -2.99 -0.13 0.19 2.29 0.15 -1.26 -4.87 113.70 107.08 1mw4 s SER 10 Ca 0.20 -0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.55 1mw4 s SER 10 Cb 0.01 0.36 -0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1mw4 s SER 10 CO 0.04 -0.62 0.37 0.00 1.20 0.00 0.00 173.24 174.24 1mw4 s ALA 11 N -2.55 -0.21 -0.45 5.45 0.00 -1.26 -5.12 121.76 117.62 1mw4 s ALA 11 Ca -0.05 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1mw4 s ALA 11 Cb -0.01 0.92 0.21 0.00 0.00 0.00 0.00 23.12 24.25 1mw4 s ALA 11 CO -0.03 -0.73 0.62 0.00 0.00 0.00 0.00 175.76 175.62 1mw4 n ALA 12 N -0.28 0.49 -1.40 0.00 0.00 -1.26 -4.80 120.51 113.25 1mw4 n ALA 12 Ca -0.06 -2.22 -0.40 0.00 0.00 0.00 0.00 53.44 50.76 1mw4 n ALA 12 Cb 0.63 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 2.23 4.20 -5.00 0.00 3.06 -1.26 -4.87 119.36 117.72 1mw4 n ILE 13 Ca 0.20 -2.70 -0.29 0.00 -2.50 0.00 0.00 62.75 57.46 1mw4 n ILE 13 Cb 0.55 -2.60 -0.16 0.00 0.54 0.00 0.00 39.64 37.96 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 2.26 2.05 -0.10 9.51 3.76 -1.26 -4.99 115.29 126.51 1mw4 s HIS 14 Ca 0.66 -0.68 0.01 0.00 -0.15 0.00 0.00 55.06 54.89 1mw4 s HIS 14 Cb 0.17 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.49 1mw4 s HIS 14 CO -0.07 -0.25 0.43 2.89 -0.85 0.00 0.00 174.74 176.89 1mw4 n ARG 15 N 3.27 0.70 0.00 1.40 1.85 -1.26 -4.98 116.66 117.65 1mw4 n ARG 15 Ca -0.19 -0.44 0.00 0.00 -1.00 0.00 0.00 57.85 56.22 1mw4 n ARG 15 Cb 0.53 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 31.02 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 -0.17 0.00 -2.29 8.89 -2.24 -1.26 -5.04 114.28 112.17 1mw4 n THR 16 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 1mw4 n THR 16 Cb 0.02 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.14 -0.83 -0.78 -0.00 -1.26 -5.14 117.38 109.52 1mw4 n GLN 17 Ca 0.00 -1.56 -0.33 0.00 -0.00 0.00 0.00 57.00 55.11 1mw4 n GLN 17 Cb 0.00 0.18 0.11 0.00 -0.00 0.00 0.00 30.24 30.53 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 0.12 -1.15 -2.63 2.61 4.77 -1.26 -4.94 117.00 114.52 1mw4 n LEU 18 Ca -0.11 0.31 -0.30 0.00 -0.03 0.00 0.00 56.01 55.88 1mw4 n LEU 18 Cb 0.91 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1mw4 n LEU 18 CO -0.09 -4.02 0.47 -2.67 -1.33 0.00 0.00 177.39 169.75 1mw4 n TRP 19 N -3.42 3.38 -4.92 -1.77 -0.00 -1.26 -5.02 117.44 104.43 1mw4 n TRP 19 Ca 0.05 -3.04 -0.33 0.00 -0.00 0.00 0.00 57.50 54.19 1mw4 n TRP 19 Cb 0.54 -0.35 -0.14 0.00 -0.00 0.00 0.00 31.31 31.36 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 -3.66 2.69 0.16 -2.67 5.36 -1.25 -2.86 117.98 115.75 1mw4 s PHE 20 Ca 0.49 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 56.08 1mw4 s PHE 20 Cb 0.39 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 41.35 1mw4 s PHE 20 CO -0.23 0.02 0.09 -1.58 -1.46 0.00 0.00 175.22 172.06 1mw4 s HIS 21 N -0.36 0.95 0.00 10.12 5.65 -1.14 -4.87 115.29 125.65 1mw4 s HIS 21 Ca 0.03 -1.27 0.00 0.00 0.25 0.00 0.00 55.06 54.07 1mw4 s HIS 21 Cb -0.12 -0.50 0.00 0.00 -1.18 0.00 0.00 32.58 30.78 1mw4 s HIS 21 CO 0.02 -0.57 0.00 0.41 -0.65 0.00 0.00 174.74 173.96 1mw4 n GLY 22 N -0.16 0.20 3.47 1.59 0.00 -1.26 -1.68 105.19 107.36 1mw4 n GLY 22 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 1.71 3.87 -0.37 1.61 3.52 -1.25 -2.87 118.95 125.17 1mw4 s ARG 23 Ca 0.00 -2.15 -0.10 0.00 -0.13 0.00 0.00 55.73 53.35 1mw4 s ARG 23 Cb 0.00 -5.07 0.03 0.00 -1.56 0.00 0.00 34.95 28.36 1mw4 s ARG 23 CO 0.00 -1.83 0.19 -1.50 -0.81 0.00 0.00 175.30 171.35 1mw4 s ILE 24 N 2.40 4.43 -0.73 4.11 2.07 -1.26 -4.93 121.20 127.29 1mw4 s ILE 24 Ca 0.40 -0.95 -0.11 0.00 -1.41 0.00 0.00 60.65 58.58 1mw4 s ILE 24 Cb -0.03 -3.50 -0.22 0.00 0.13 0.00 0.00 42.46 38.84 1mw4 s ILE 24 CO -0.03 -0.25 1.68 -0.24 -1.91 0.00 0.00 174.94 174.18 1mw4 n SER 25 N 4.96 -0.71 -0.08 4.50 2.88 -1.26 -4.75 113.62 119.16 1mw4 n SER 25 Ca -0.12 -0.25 -0.06 0.00 -1.33 0.00 0.00 58.87 57.11 1mw4 n SER 25 Cb 0.45 -0.47 -0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 8.20 -0.11 -0.65 -1.46 -0.00 -1.97 1.23 114.38 119.62 1mw4 h ARG 26 Ca 0.01 0.01 -0.04 0.00 -0.00 0.00 0.00 59.98 59.96 1mw4 h ARG 26 Cb 0.86 0.02 -0.03 0.00 -0.00 0.00 0.00 29.97 30.82 1mw4 h ARG 26 CO 1.14 -0.07 0.26 0.93 -0.00 0.00 0.00 179.97 182.22 1mw4 h GLU 27 N -0.11 0.96 0.00 0.08 4.39 -1.94 -2.29 114.58 115.67 1mw4 h GLU 27 Ca 0.16 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1mw4 h GLU 27 Cb 0.36 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1mw4 h GLU 27 CO -0.39 0.79 -0.57 1.49 -1.16 0.00 0.00 179.01 179.17 1mw4 h GLU 28 N 0.94 0.00 -0.14 2.33 4.81 -1.67 -3.30 114.58 117.55 1mw4 h GLU 28 Ca 0.22 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1mw4 h GLU 28 Cb 0.19 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1mw4 h GLU 28 CO -0.02 0.57 -0.20 1.03 -0.73 0.00 0.00 179.01 179.66 1mw4 h SER 29 N 0.00 -0.61 -0.50 1.04 0.87 0.21 0.54 113.55 115.10 1mw4 h SER 29 Ca -0.01 0.11 0.15 0.00 -1.23 0.00 0.00 61.79 60.81 1mw4 h SER 29 Cb 1.35 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.57 1mw4 h SER 29 CO 0.07 -0.25 0.44 0.06 -0.53 0.00 0.00 176.83 176.63 1mw4 h GLN 30 N -0.24 0.00 -0.04 2.24 3.07 -1.62 1.08 115.11 119.59 1mw4 h GLN 30 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.72 1mw4 h GLN 30 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.94 1mw4 h GLN 30 CO -0.28 0.00 -0.54 -0.09 0.09 0.00 0.00 178.83 178.00 1mw4 h ARG 31 N 0.00 0.12 0.00 0.06 9.65 -1.04 -1.86 114.38 121.32 1mw4 h ARG 31 Ca 0.24 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1mw4 h ARG 31 Cb 1.12 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 1mw4 h ARG 31 CO -0.00 0.63 -0.43 1.28 2.80 0.00 0.00 179.97 184.25 1mw4 n LEU 32 N -3.90 1.02 0.00 3.80 4.32 0.11 -4.59 117.00 117.75 1mw4 n LEU 32 Ca -0.02 0.16 0.08 0.00 -0.02 0.00 0.00 56.01 56.21 1mw4 n LEU 32 Cb 0.56 -0.52 0.36 0.00 -1.62 0.00 0.00 43.42 42.21 1mw4 n LEU 32 CO 0.42 -0.45 0.73 -0.38 -1.22 0.00 0.00 177.39 176.50 1mw4 n ILE 33 N -3.51 0.73 -0.77 -0.08 -0.00 0.33 -2.43 119.36 113.64 1mw4 n ILE 33 Ca -0.06 0.18 -0.10 0.00 -0.00 0.00 0.00 62.75 62.77 1mw4 n ILE 33 Cb 0.22 -0.92 0.23 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 0.06 3.57 0.00 7.39 0.00 -0.70 -3.41 105.19 112.10 1mw4 n GLY 34 Ca 0.06 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.33 2.55 -0.92 1.61 -0.00 -1.02 -4.17 117.38 115.11 1mw4 n GLN 35 Ca 0.40 -0.01 -0.33 0.00 -0.00 0.00 0.00 57.00 57.05 1mw4 n GLN 35 Cb 1.32 -1.12 0.12 0.00 -0.00 0.00 0.00 30.24 30.55 1mw4 n GLN 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1mw4 n GLN 36 N -1.36 -0.12 0.00 2.61 6.02 -1.22 -4.92 117.38 118.38 1mw4 n GLN 36 Ca 0.02 0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.14 1mw4 n GLN 36 Cb 0.21 -1.97 0.08 0.00 1.02 0.00 0.00 30.24 29.58 1mw4 n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mw4 n GLY 37 N 1.30 0.75 3.89 1.08 0.00 -1.26 -4.85 105.19 106.10 1mw4 n GLY 37 Ca 0.09 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.12 2.93 0.00 0.99 2.01 -1.26 -4.99 118.68 116.24 1mw4 s LEU 38 Ca 0.26 1.11 -0.15 0.00 0.01 0.00 0.00 54.13 55.36 1mw4 s LEU 38 Cb 0.20 -3.92 0.20 0.00 0.01 0.00 0.00 46.19 42.68 1mw4 s LEU 38 CO 0.37 -1.31 1.20 1.33 1.01 0.00 0.00 176.35 178.94 1mw4 n VAL 39 N -2.98 0.00 -0.24 -1.59 0.24 -1.26 -3.76 118.33 108.74 1mw4 n VAL 39 Ca 0.07 -0.89 -0.04 0.00 -2.04 0.00 0.00 64.34 61.43 1mw4 n VAL 39 Cb 0.57 -1.55 -0.03 0.00 -1.47 0.00 0.00 33.84 31.36 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 -3.76 1.37 0.00 -1.34 9.92 -1.08 -2.89 116.55 118.78 1mw4 n ASP 40 Ca 0.15 -1.82 0.00 0.00 -0.53 0.00 0.00 54.79 52.59 1mw4 n ASP 40 Cb 0.52 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 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 3.12 0.71 3.34 0.44 0.00 -1.17 -4.35 105.19 107.29 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 -0.63 6.06 0.28 0.99 2.01 -1.14 -1.10 118.68 125.16 1mw4 s LEU 42 Ca 0.00 -1.94 0.09 0.00 0.01 0.00 0.00 54.13 52.29 1mw4 s LEU 42 Cb 0.00 -2.24 -0.04 0.00 0.01 0.00 0.00 46.19 43.91 1mw4 s LEU 42 CO 0.00 -0.87 0.08 0.72 1.01 0.00 0.00 176.35 177.29 1mw4 s PHE 43 N 1.58 2.80 0.01 0.29 -0.12 -1.23 0.32 117.98 121.62 1mw4 s PHE 43 Ca 0.11 -0.23 -0.00 0.00 -0.05 0.00 0.00 56.93 56.75 1mw4 s PHE 43 Cb -0.22 -1.36 -0.01 0.00 -0.63 0.00 0.00 43.02 40.81 1mw4 s PHE 43 CO 0.00 0.52 -0.00 -1.17 -0.05 0.00 0.00 175.22 174.52 1mw4 s LEU 44 N -3.76 2.07 -0.40 -1.99 2.96 0.40 -4.00 118.68 113.96 1mw4 s LEU 44 Ca 0.33 -0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 1mw4 s LEU 44 Cb -0.06 0.06 0.06 0.00 0.50 0.00 0.00 46.19 46.76 1mw4 s LEU 44 CO 0.22 -0.12 0.23 -0.69 -1.32 0.00 0.00 176.35 174.67 1mw4 s VAL 45 N -0.58 4.30 0.27 1.68 1.01 -1.14 0.18 120.40 126.13 1mw4 s VAL 45 Ca -0.06 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.72 1mw4 s VAL 45 Cb -0.04 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1mw4 s VAL 45 CO -0.00 -0.41 0.22 0.00 0.00 0.00 0.00 175.10 174.91 1mw4 s ARG 46 N 1.46 1.51 0.00 2.72 1.04 -1.02 -2.86 118.95 121.80 1mw4 s ARG 46 Ca 0.02 -1.84 0.00 0.00 -1.04 0.00 0.00 55.73 52.88 1mw4 s ARG 46 Cb -0.22 0.30 0.00 0.00 -2.04 0.00 0.00 34.95 33.00 1mw4 s ARG 46 CO 0.03 -0.54 0.00 -0.85 -0.04 0.00 0.00 175.30 173.91 1mw4 n GLU 47 N -0.46 0.00 -4.34 3.89 0.00 -0.67 -1.69 120.64 117.36 1mw4 n GLU 47 Ca 0.05 0.00 -0.26 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 -1.12 0.00 0.00 0.00 177.13 176.01 1mw4 s SER 48 N 1.13 2.85 0.00 -1.84 0.01 -1.20 -3.80 113.70 110.86 1mw4 s SER 48 Ca 0.00 -0.71 0.24 0.00 1.31 0.00 0.00 55.95 56.79 1mw4 s SER 48 Cb 0.00 -0.17 0.22 0.00 0.21 0.00 0.00 66.02 66.28 1mw4 s SER 48 CO 0.00 0.11 1.26 0.00 0.41 0.00 0.00 173.24 175.02 1mw4 n GLN 49 N 1.04 1.93 -0.11 12.44 -0.00 -1.26 -4.12 117.38 127.30 1mw4 n GLN 49 Ca -0.19 -1.56 -0.23 0.00 -0.00 0.00 0.00 57.00 55.02 1mw4 n GLN 49 Cb 0.53 -1.47 -0.08 0.00 -0.00 0.00 0.00 30.24 29.22 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 0.83 0.48 -2.59 2.61 3.00 -1.26 -4.85 116.66 114.87 1mw4 n ARG 50 Ca 0.13 0.20 -0.42 0.00 -0.00 0.00 0.00 57.85 57.76 1mw4 n ARG 50 Cb 0.54 -1.32 -0.03 0.00 0.00 0.00 0.00 32.46 31.65 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 -6.93 6.32 0.30 6.15 0.02 -1.26 -4.88 114.94 114.66 1mw4 s ASN 51 Ca -0.31 -0.17 -0.02 0.00 -1.02 0.00 0.00 52.86 51.34 1mw4 s ASN 51 Cb 0.12 -2.54 0.43 0.00 0.02 0.00 0.00 41.25 39.28 1mw4 s ASN 51 CO 0.41 -1.60 1.96 -0.65 0.02 0.00 0.00 177.10 177.23 1mw4 h PRO 52 N 9.72 1.08 -1.77 -0.60 0.11 -1.89 -2.82 132.00 135.83 1mw4 h PRO 52 Ca -0.26 -0.07 -0.65 0.00 0.11 0.00 0.00 66.00 65.13 1mw4 h PRO 52 Cb 1.06 -0.24 -0.38 0.00 0.11 0.00 0.00 31.00 31.55 1mw4 h PRO 52 CO 1.22 0.73 -0.19 1.04 -0.21 0.00 0.00 178.00 180.59 1mw4 n GLN 53 N -4.40 3.35 -3.63 1.05 1.13 -1.26 -4.98 117.38 108.64 1mw4 n GLN 53 Ca 0.09 -4.32 -0.23 0.00 -1.94 0.00 0.00 57.00 50.60 1mw4 n GLN 53 Cb 0.04 -2.27 -0.17 0.00 0.11 0.00 0.00 30.24 27.95 1mw4 n GLN 53 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1mw4 s GLY 54 N -2.82 0.27 0.01 1.08 0.00 -1.06 -3.57 107.32 101.23 1mw4 s GLY 54 Ca 0.49 -0.04 0.04 0.00 0.00 0.00 0.00 44.72 45.21 1mw4 s GLY 54 CO -0.24 1.61 -0.09 -1.36 0.00 0.00 0.00 173.10 173.03 1mw4 s PHE 55 N 2.17 2.83 0.05 1.90 0.40 -1.25 -3.23 117.98 120.84 1mw4 s PHE 55 Ca 0.03 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1mw4 s PHE 55 Cb -0.14 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1mw4 s PHE 55 CO -0.07 0.35 -0.07 0.54 0.70 0.00 0.00 175.22 176.68 1mw4 s VAL 56 N -1.00 0.51 -0.20 -0.44 0.11 -0.68 -3.20 120.40 115.51 1mw4 s VAL 56 Ca 0.17 -1.18 -0.03 0.00 -2.93 0.00 0.00 61.98 58.00 1mw4 s VAL 56 Cb -0.11 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1mw4 s VAL 56 CO 0.08 -0.47 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.11 1mw4 s LEU 57 N -1.78 2.97 -0.17 2.54 1.98 -1.07 -2.44 118.68 120.73 1mw4 s LEU 57 Ca -0.08 -0.32 -0.10 0.00 -2.89 0.00 0.00 54.13 50.75 1mw4 s LEU 57 Cb -0.08 -1.74 -0.05 0.00 0.66 0.00 0.00 46.19 44.99 1mw4 s LEU 57 CO -0.01 0.05 0.17 -0.44 -1.89 0.00 0.00 176.35 174.23 1mw4 s SER 58 N 1.09 6.31 0.47 3.68 0.01 0.49 -2.94 113.70 122.82 1mw4 s SER 58 Ca 0.01 0.36 0.07 0.00 1.31 0.00 0.00 55.95 57.70 1mw4 s SER 58 Cb -0.15 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1mw4 s SER 58 CO -0.00 0.22 0.36 -0.76 0.41 0.00 0.00 173.24 173.48 1mw4 s LEU 59 N 0.01 3.03 -0.38 2.44 1.43 -0.44 0.15 118.68 124.92 1mw4 s LEU 59 Ca 0.12 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 1mw4 s LEU 59 Cb -0.12 -1.56 0.15 0.00 0.03 0.00 0.00 46.19 44.70 1mw4 s LEU 59 CO 0.01 -0.85 0.28 0.00 0.23 0.00 0.00 176.35 176.03 1mw4 s HIS 61 N 0.78 2.68 -0.46 0.00 5.04 0.15 -2.64 115.29 120.84 1mw4 s HIS 61 Ca 0.23 0.51 -0.01 0.00 -1.54 0.00 0.00 55.06 54.25 1mw4 s HIS 61 Cb -0.13 -3.44 0.33 0.00 0.04 0.00 0.00 32.58 29.38 1mw4 s HIS 61 CO -0.06 -1.75 2.00 1.47 -2.34 0.00 0.00 174.74 174.06 1mw4 n LEU 62 N -3.19 6.93 0.00 8.88 -0.00 -1.25 -3.33 117.00 125.03 1mw4 n LEU 62 Ca 0.09 -3.69 0.00 0.00 -0.00 0.00 0.00 56.01 52.42 1mw4 n LEU 62 Cb 0.61 -1.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1mw4 n LEU 62 CO 0.53 1.30 0.00 0.00 -0.00 0.00 0.00 177.39 179.22 1mw4 n GLN 63 N -0.25 0.00 0.00 1.47 6.02 -1.26 -5.07 117.38 118.29 1mw4 n GLN 63 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1mw4 n GLN 63 Cb 0.67 -0.19 0.00 0.00 1.02 0.00 0.00 30.24 31.74 1mw4 n GLN 63 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1mw4 n LYS 64 N -1.32 0.00 -4.00 -1.09 2.85 -1.21 -4.81 118.16 108.58 1mw4 n LYS 64 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 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 -1.38 0.13 0.15 0.58 -7.23 -1.26 0.35 120.40 111.74 1mw4 s VAL 65 Ca 0.00 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 1mw4 s VAL 65 Cb 0.00 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 1mw4 s VAL 65 CO 0.00 -0.60 -0.08 -1.59 -0.31 0.00 0.00 175.10 172.52 1mw4 s LYS 66 N -2.00 1.04 -0.09 4.82 -2.85 -1.18 -4.50 119.74 114.98 1mw4 s LYS 66 Ca -0.11 -1.45 -0.03 0.00 -1.00 0.00 0.00 55.97 53.38 1mw4 s LYS 66 Cb -0.06 -0.51 0.04 0.00 -2.06 0.00 0.00 37.83 35.25 1mw4 s LYS 66 CO -0.03 0.03 0.09 -1.01 0.10 0.00 0.00 175.35 174.53 1mw4 s HIS 67 N -3.42 0.04 -0.48 1.78 3.76 -1.26 -1.33 115.29 114.37 1mw4 s HIS 67 Ca 0.17 0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 55.18 1mw4 s HIS 67 Cb 0.04 -0.49 0.12 0.00 1.11 0.00 0.00 32.58 33.36 1mw4 s HIS 67 CO 0.00 -0.31 0.33 0.71 -0.85 0.00 0.00 174.74 174.62 1mw4 s TYR 68 N 2.19 3.49 -0.41 1.40 1.51 -1.15 -4.92 117.35 119.46 1mw4 s TYR 68 Ca 0.04 -2.15 0.06 0.00 -1.01 0.00 0.00 57.07 54.01 1mw4 s TYR 68 Cb -0.13 -3.39 0.43 0.00 -0.11 0.00 0.00 41.96 38.75 1mw4 s TYR 68 CO -0.06 -0.97 1.11 1.47 -1.11 0.00 0.00 175.55 175.99 1mw4 n LEU 69 N 4.61 4.53 0.00 -1.29 -0.00 -1.19 -2.60 117.00 121.07 1mw4 n LEU 69 Ca -0.03 -5.06 0.11 0.00 -0.00 0.00 0.00 56.01 51.02 1mw4 n LEU 69 Cb 0.41 -0.39 -0.06 0.00 -0.00 0.00 0.00 43.42 43.38 1mw4 n LEU 69 CO 0.38 2.18 -0.10 -0.38 -0.00 0.00 0.00 177.39 179.47 1mw4 n ILE 70 N -0.49 0.03 -3.73 1.47 5.41 -1.21 -3.90 119.36 116.94 1mw4 n ILE 70 Ca 0.38 -0.12 -0.14 0.00 1.00 0.00 0.00 62.75 63.86 1mw4 n ILE 70 Cb 0.71 0.62 -0.15 0.00 -0.71 0.00 0.00 39.64 40.11 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 -3.41 0.61 0.63 1.39 1.43 -0.89 -4.83 118.68 113.61 1mw4 s LEU 71 Ca 0.05 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1mw4 s LEU 71 Cb 0.16 0.29 0.07 0.00 0.03 0.00 0.00 46.19 46.73 1mw4 s LEU 71 CO 0.85 -0.16 0.89 -2.16 0.23 0.00 0.00 176.35 175.99 1mw4 s PRO 72 N 1.37 2.19 0.12 1.29 0.04 -1.23 -2.85 135.00 135.93 1mw4 s PRO 72 Ca -0.07 -0.80 -0.31 0.00 0.04 0.00 0.00 61.00 59.86 1mw4 s PRO 72 Cb -0.12 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 31.94 1mw4 s PRO 72 CO -0.06 -1.05 1.74 -1.12 0.04 0.00 0.00 177.00 176.56 1mw4 s SER 73 N -4.54 6.49 0.48 6.66 0.01 -1.25 -4.09 113.70 117.45 1mw4 s SER 73 Ca 0.61 2.67 0.01 0.00 1.31 0.00 0.00 55.95 60.55 1mw4 s SER 73 Cb -0.09 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1mw4 s SER 73 CO 0.41 -0.95 0.05 -0.62 0.41 0.00 0.00 173.24 172.55 1mw4 n GLU 74 N 5.39 0.70 -0.36 12.44 1.02 -1.17 -5.03 120.64 133.63 1mw4 n GLU 74 Ca 0.17 -3.64 0.10 0.00 -0.02 0.00 0.00 57.16 53.76 1mw4 n GLU 74 Cb 0.39 1.33 0.29 0.00 -0.02 0.00 0.00 31.44 33.42 1mw4 n GLU 74 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1mw4 n GLU 75 N -1.15 2.63 0.00 3.49 -0.58 -1.26 -3.32 120.64 120.45 1mw4 n GLU 75 Ca -0.16 -2.32 0.06 0.00 -0.42 0.00 0.00 57.16 54.33 1mw4 n GLU 75 Cb 0.64 -1.55 -0.01 0.00 -0.57 0.00 0.00 31.44 29.95 1mw4 n GLU 75 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1mw4 n GLU 76 N 1.29 1.98 0.00 3.49 0.28 -1.26 -5.05 120.64 121.37 1mw4 n GLU 76 Ca 0.21 -0.64 0.00 0.00 -0.16 0.00 0.00 57.16 56.57 1mw4 n GLU 76 Cb 0.58 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.29 1mw4 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1mw4 n GLY 77 N 1.03 1.44 0.00 -1.84 0.00 -1.21 -5.14 105.19 99.46 1mw4 n GLY 77 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.49 1.61 5.12 -1.26 -4.02 116.66 115.62 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 4.40 -0.66 0.55 2.01 -0.25 -3.05 118.68 121.68 1mw4 s LEU 79 Ca 0.00 1.99 -0.05 0.00 0.01 0.00 0.00 54.13 56.08 1mw4 s LEU 79 Cb 0.00 -3.58 0.17 0.00 0.01 0.00 0.00 46.19 42.79 1mw4 s LEU 79 CO 0.00 -0.37 0.50 -0.31 1.01 0.00 0.00 176.35 177.18 1mw4 s TYR 80 N 0.68 3.48 0.28 0.29 1.51 -1.13 0.17 117.35 122.63 1mw4 s TYR 80 Ca 0.55 -2.54 -0.11 0.00 -1.01 0.00 0.00 57.07 53.96 1mw4 s TYR 80 Cb -0.28 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.24 1mw4 s TYR 80 CO 0.31 -0.88 0.52 -0.59 -1.11 0.00 0.00 175.55 173.80 1mw4 s PHE 81 N 0.05 0.47 0.00 2.71 -0.12 -1.26 -2.09 117.98 117.74 1mw4 s PHE 81 Ca 0.17 -0.84 0.00 0.00 -0.05 0.00 0.00 56.93 56.20 1mw4 s PHE 81 Cb -0.18 0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 1mw4 s PHE 81 CO -0.04 -1.09 0.00 -1.13 -0.05 0.00 0.00 175.22 172.90 1mw4 n SER 82 N -0.71 0.00 0.00 1.98 3.41 -1.26 0.14 113.62 117.18 1mw4 n SER 82 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 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 0.23 -0.16 0.00 0.00 175.04 175.11 1mw4 n MET 83 N 0.00 0.00 0.07 4.33 2.81 -1.26 -4.87 117.12 118.20 1mw4 n MET 83 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.84 1mw4 n MET 83 Cb 0.00 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 32.65 1mw4 n MET 83 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1mw4 h ASP 84 N 0.00 0.33 -0.58 7.83 3.58 -1.98 -3.32 116.42 122.28 1mw4 h ASP 84 Ca 0.00 -0.17 -0.31 0.00 0.42 0.00 0.00 57.03 56.97 1mw4 h ASP 84 Cb 0.00 -0.10 -0.40 0.00 1.72 0.00 0.00 39.33 40.55 1mw4 h ASP 84 CO 0.00 0.81 -1.08 0.47 -2.88 0.00 0.00 179.24 176.56 1mw4 n ASP 85 N -3.93 2.13 -4.37 2.28 8.00 -1.26 -5.11 116.55 114.29 1mw4 n ASP 85 Ca -0.02 -2.41 -0.21 0.00 0.71 0.00 0.00 54.79 52.85 1mw4 n ASP 85 Cb 0.57 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 41.11 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 -3.68 2.12 -0.41 0.44 0.00 -1.25 -5.11 107.32 99.43 1mw4 s GLY 86 Ca 0.31 -1.88 0.06 0.00 0.00 0.00 0.00 44.72 43.21 1mw4 s GLY 86 CO -0.02 -1.78 0.44 0.61 0.00 0.00 0.00 173.10 172.35 1mw4 n GLN 87 N -0.69 0.44 -0.18 2.90 0.00 -1.26 -3.98 117.38 114.62 1mw4 n GLN 87 Ca -0.03 -3.14 0.06 0.00 0.00 0.00 0.00 57.00 53.90 1mw4 n GLN 87 Cb 0.66 -1.45 0.16 0.00 0.00 0.00 0.00 30.24 29.61 1mw4 n GLN 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1mw4 n THR 88 N 2.16 0.88 -0.89 -0.39 -2.24 -1.02 -4.94 114.28 107.85 1mw4 n THR 88 Ca 0.25 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1mw4 n THR 88 Cb 0.51 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.66 0.00 -0.25 -0.78 1.85 0.38 -4.56 116.66 113.96 1mw4 n ARG 89 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1mw4 n ARG 89 Cb 0.43 -0.98 0.00 0.00 -1.05 0.00 0.00 32.46 30.86 1mw4 n ARG 89 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 1mw4 n PHE 90 N 3.25 -0.01 -0.92 2.89 1.16 0.45 -4.49 117.46 119.79 1mw4 n PHE 90 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.22 1mw4 n PHE 90 Cb 0.20 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.14 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 0.00 1.97 -1.04 -1.26 -1.09 114.28 112.86 1mw4 n THR 91 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1mw4 n THR 91 Cb 0.00 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 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 1.98 0.00 -0.41 8.00 2.03 -1.26 -4.61 116.55 122.28 1mw4 n ASP 92 Ca -0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1mw4 n ASP 92 Cb 0.62 0.07 -0.09 0.00 -0.72 0.00 0.00 41.12 41.01 1mw4 n ASP 92 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1mw4 n LEU 93 N -2.00 -1.01 -0.03 -2.67 0.00 -1.26 0.32 117.00 110.35 1mw4 n LEU 93 Ca 0.00 1.76 -0.09 0.00 0.00 0.00 0.00 56.01 57.68 1mw4 n LEU 93 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 43.42 43.14 1mw4 n LEU 93 CO 0.00 -1.45 0.87 0.25 0.00 0.00 0.00 177.39 177.06 1mw4 h LEU 94 N 0.00 -0.04 -0.74 -1.96 7.12 -2.01 -2.21 115.31 115.47 1mw4 h LEU 94 Ca 0.18 0.03 -0.04 0.00 0.13 0.00 0.00 57.88 58.19 1mw4 h LEU 94 Cb 0.43 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 1mw4 h LEU 94 CO -0.94 0.00 -0.17 -0.61 -0.13 0.00 0.00 178.44 176.59 1mw4 h GLN 95 N 0.08 0.00 0.57 1.25 4.15 -1.47 -3.13 115.11 116.55 1mw4 h GLN 95 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 1mw4 h GLN 95 Cb 0.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1mw4 h GLN 95 CO -0.13 0.17 -0.39 1.25 -1.93 0.00 0.00 178.83 177.81 1mw4 h LEU 96 N 0.00 -0.99 0.46 -2.39 6.46 0.59 0.11 115.31 119.54 1mw4 h LEU 96 Ca -0.00 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1mw4 h LEU 96 Cb 0.87 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1mw4 h LEU 96 CO 0.02 -0.58 -0.22 0.58 -0.62 0.00 0.00 178.44 177.62 1mw4 h VAL 97 N -0.92 0.47 0.17 1.05 2.07 -1.59 -0.78 116.25 116.73 1mw4 h VAL 97 Ca -0.07 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1mw4 h VAL 97 Cb 0.76 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1mw4 h VAL 97 CO 0.05 0.06 -0.08 -0.08 0.02 0.00 0.00 177.57 177.53 1mw4 h GLU 98 N -0.88 -0.23 0.00 1.57 4.81 -1.59 -2.84 114.58 115.42 1mw4 h GLU 98 Ca -0.06 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1mw4 h GLU 98 Cb 0.57 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1mw4 h GLU 98 CO 0.10 -0.15 0.00 1.19 -0.73 0.00 0.00 179.01 179.42 1mw4 n PHE 99 N -2.63 0.00 0.08 0.92 3.01 0.36 -3.13 117.46 116.07 1mw4 n PHE 99 Ca -0.03 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.63 1mw4 n PHE 99 Cb 0.09 -0.12 0.65 0.00 -0.01 0.00 0.00 39.48 40.10 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 0.00 -0.15 1.38 2.07 -0.88 0.17 115.15 117.74 1mw4 h HIS 100 Ca 0.00 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.54 1mw4 h HIS 100 Cb 0.04 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.99 1mw4 h HIS 100 CO 0.00 0.00 -0.20 1.96 -3.07 0.00 0.00 177.93 176.62 1mw4 h GLN 101 N 0.00 -0.13 -0.71 5.12 1.08 -1.76 -3.15 115.11 115.56 1mw4 h GLN 101 Ca 0.21 0.01 -0.30 0.00 -1.45 0.00 0.00 58.65 57.12 1mw4 h GLN 101 Cb 1.45 0.03 -0.38 0.00 -0.05 0.00 0.00 27.48 28.53 1mw4 h GLN 101 CO -0.00 -0.09 -1.10 1.28 -0.95 0.00 0.00 178.83 177.97 1mw4 n LEU 102 N -3.66 1.21 -4.81 1.46 7.99 -0.78 -4.63 117.00 113.78 1mw4 n LEU 102 Ca -0.01 -3.44 -0.33 0.00 -0.01 0.00 0.00 56.01 52.22 1mw4 n LEU 102 Cb 0.12 0.41 -0.02 0.00 -0.11 0.00 0.00 43.42 43.83 1mw4 n LEU 102 CO -0.00 1.40 0.70 0.21 -1.51 0.00 0.00 177.39 178.19 1mw4 s ASN 103 N -3.20 6.19 -0.91 -1.43 2.47 0.52 -4.85 114.94 113.74 1mw4 s ASN 103 Ca 0.26 1.77 -0.25 0.00 0.42 0.00 0.00 52.86 55.07 1mw4 s ASN 103 Cb 0.41 -2.53 -0.06 0.00 -1.45 0.00 0.00 41.25 37.61 1mw4 s ASN 103 CO -0.00 -0.88 2.01 -0.13 -3.72 0.00 0.00 177.10 174.38 1mw4 s ARG 104 N -3.83 2.40 0.00 0.43 3.00 -1.26 -3.94 118.95 115.75 1mw4 s ARG 104 Ca 0.63 -0.24 0.00 0.00 0.00 0.00 0.00 55.73 56.12 1mw4 s ARG 104 Cb -0.14 -5.04 0.00 0.00 0.00 0.00 0.00 34.95 29.77 1mw4 s ARG 104 CO 0.30 -3.59 0.06 0.41 0.00 0.00 0.00 175.30 172.48 1mw4 n GLY 105 N 6.77 0.82 3.93 -3.53 0.00 -0.92 -4.97 105.19 107.29 1mw4 n GLY 105 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 1mw4 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1mw4 s ILE 106 N -0.12 5.10 0.00 -0.61 -1.16 -1.22 -5.03 121.20 118.16 1mw4 s ILE 106 Ca 0.00 -0.33 0.00 0.00 -0.51 0.00 0.00 60.65 59.81 1mw4 s ILE 106 Cb 0.00 -3.81 0.00 0.00 0.61 0.00 0.00 42.46 39.26 1mw4 s ILE 106 CO 0.00 -0.45 0.00 0.18 -2.81 0.00 0.00 174.94 171.86 1mw4 n LEU 107 N -1.43 0.00 -0.07 8.50 4.32 -1.26 -4.38 117.00 122.69 1mw4 n LEU 107 Ca -0.04 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.74 1mw4 n LEU 107 Cb 0.55 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.23 1mw4 n LEU 107 CO 0.49 0.00 -1.06 -0.81 -1.22 0.00 0.00 177.39 174.78 1mw4 n PRO 108 N 0.00 0.69 0.00 3.23 -0.04 -1.26 -4.99 135.00 132.63 1mw4 n PRO 108 Ca 0.00 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1mw4 n PRO 108 Cb 0.00 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 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 -4.02 0.00 0.00 7.99 -1.26 -4.75 117.00 114.96 1mw4 n LEU 110 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1mw4 n LEU 110 Cb 0.00 -0.64 0.00 0.00 -0.11 0.00 0.00 43.42 42.67 1mw4 n LEU 110 CO 0.00 -3.90 -0.12 0.00 -1.51 0.00 0.00 177.39 171.87 1mw4 n LEU 111 N 3.09 0.00 -4.77 2.23 -0.00 -1.26 -3.43 117.00 112.86 1mw4 n LEU 111 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.60 1mw4 n LEU 111 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.08 1mw4 n LEU 111 CO 0.47 0.00 0.94 -0.13 -0.00 0.00 0.00 177.39 178.68 1mw4 s ARG 112 N -0.69 4.08 0.03 1.47 0.52 -1.25 -2.17 118.95 120.92 1mw4 s ARG 112 Ca 0.00 2.11 -0.15 0.00 -0.52 0.00 0.00 55.73 57.17 1mw4 s ARG 112 Cb 0.00 -2.82 0.02 0.00 0.52 0.00 0.00 34.95 32.67 1mw4 s ARG 112 CO 0.00 -0.39 0.32 -3.38 0.02 0.00 0.00 175.30 171.88 1mw4 s HIS 113 N -1.26 -0.15 0.00 -0.53 -3.43 -1.19 -3.02 115.29 105.72 1mw4 s HIS 113 Ca 0.55 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 1mw4 s HIS 113 Cb -0.37 0.11 0.00 0.00 -1.43 0.00 0.00 32.58 30.89 1mw4 s HIS 113 CO 0.48 -0.48 0.00 0.00 -2.00 0.00 0.00 174.74 172.74 1mw4 s THR 116 N -2.80 5.18 -0.72 0.00 2.01 -1.26 -3.58 115.64 114.47 1mw4 s THR 116 Ca 0.22 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1mw4 s THR 116 Cb 0.01 -3.83 0.23 0.00 0.01 0.00 0.00 72.50 68.92 1mw4 s THR 116 CO 0.15 -0.32 0.75 -1.14 -0.69 0.00 0.00 174.62 173.37 1mw4 n ARG 117 N -1.43 2.53 0.02 4.92 3.00 -1.26 -4.80 116.66 119.64 1mw4 n ARG 117 Ca -0.08 -4.60 0.00 0.00 -0.00 0.00 0.00 57.85 53.17 1mw4 n ARG 117 Cb 0.57 -2.31 0.00 0.00 0.00 0.00 0.00 32.46 30.72 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 1.33 0.00 -0.34 5.15 0.24 -1.26 -4.98 118.33 118.47 1mw4 n VAL 118 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 1mw4 n VAL 118 Cb 0.38 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 -2.58 0.00 0.00 2.33 0.00 -1.26 -5.29 120.51 113.71 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