#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 -0.37 -4.14 1.61 0.87 -2.09 -3.44 113.55 105.98 1mw4 h SER 2 Ca 0.00 -0.15 -0.54 0.00 -1.23 0.00 0.00 61.79 59.87 1mw4 h SER 2 Cb 0.00 0.10 0.14 0.00 -0.44 0.00 0.00 62.40 62.20 1mw4 h SER 2 CO 0.00 -0.04 0.44 -2.16 -0.53 0.00 0.00 176.83 174.54 1mw4 s PRO 3 N -4.86 2.47 0.00 2.24 0.04 -1.26 -5.04 135.00 128.58 1mw4 s PRO 3 Ca -0.14 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1mw4 s PRO 3 Cb 0.02 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1mw4 s PRO 3 CO 0.56 -1.60 0.00 0.00 0.04 0.00 0.00 177.00 176.00 1mw4 n ALA 4 N -2.23 0.00 0.00 8.56 0.00 -1.26 -5.10 120.51 120.48 1mw4 n ALA 4 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1mw4 n ALA 4 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1mw4 n ALA 4 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mw4 n SER 5 N -1.73 0.64 -3.76 0.00 7.64 -1.26 -4.92 113.62 110.24 1mw4 n SER 5 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1mw4 n SER 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1mw4 n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mw4 n GLY 6 N 2.11 4.61 2.54 0.23 0.00 -1.26 -4.67 105.19 108.75 1mw4 n GLY 6 Ca 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 1mw4 n GLY 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mw4 n THR 7 N 4.10 -0.52 -4.85 2.61 -1.04 -1.26 -5.13 114.28 108.18 1mw4 n THR 7 Ca 0.48 -2.39 -0.32 0.00 -2.04 0.00 0.00 64.05 59.78 1mw4 n THR 7 Cb 0.37 -0.29 -0.13 0.00 -1.82 0.00 0.00 70.33 68.46 1mw4 n THR 7 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1mw4 s SER 8 N -0.17 3.93 0.24 8.00 0.15 -1.26 -4.97 113.70 119.61 1mw4 s SER 8 Ca 0.32 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.74 1mw4 s SER 8 Cb 0.08 -0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 63.61 1mw4 s SER 8 CO -0.14 0.32 0.12 0.18 1.20 0.00 0.00 173.24 174.91 1mw4 n LEU 9 N 2.10 0.00 -4.95 3.45 4.77 -1.26 -5.17 117.00 115.94 1mw4 n LEU 9 Ca -0.17 -1.93 -0.24 0.00 -0.03 0.00 0.00 56.01 53.64 1mw4 n LEU 9 Cb 0.52 0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 42.34 1mw4 n LEU 9 CO 0.26 -0.31 -0.02 -0.55 -1.33 0.00 0.00 177.39 175.44 1mw4 s SER 10 N -2.51 6.33 -0.12 -1.43 0.15 -1.26 -5.11 113.70 109.75 1mw4 s SER 10 Ca 0.16 0.19 -0.02 0.00 0.70 0.00 0.00 55.95 56.98 1mw4 s SER 10 Cb 0.01 -1.91 0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1mw4 s SER 10 CO 0.12 -0.06 0.03 0.00 1.20 0.00 0.00 173.24 174.52 1mw4 s ALA 11 N -1.94 0.75 -0.03 5.45 0.00 -1.26 -4.98 121.76 119.74 1mw4 s ALA 11 Ca 0.35 -0.32 0.19 0.00 0.00 0.00 0.00 51.96 52.19 1mw4 s ALA 11 Cb -0.10 -0.92 0.34 0.00 0.00 0.00 0.00 23.12 22.44 1mw4 s ALA 11 CO 0.30 -0.78 1.14 0.00 0.00 0.00 0.00 175.76 176.42 1mw4 n ALA 12 N 5.14 2.72 0.47 0.00 0.00 -1.26 -4.87 120.51 122.71 1mw4 n ALA 12 Ca -0.07 -1.96 0.13 0.00 0.00 0.00 0.00 53.44 51.53 1mw4 n ALA 12 Cb 0.49 -0.66 0.40 0.00 0.00 0.00 0.00 19.45 19.68 1mw4 n ALA 12 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1mw4 h ILE 13 N 6.33 0.00 -2.94 0.00 2.10 -1.97 -3.44 117.51 117.60 1mw4 h ILE 13 Ca -0.31 -0.54 -0.56 0.00 1.08 0.00 0.00 64.86 64.54 1mw4 h ILE 13 Cb 1.72 1.49 -0.03 0.00 -1.09 0.00 0.00 36.82 38.90 1mw4 h ILE 13 CO 0.01 0.00 0.85 -1.00 -1.08 0.00 0.00 178.15 176.93 1mw4 s HIS 14 N -3.21 2.88 0.00 2.19 3.76 -1.26 -4.86 115.29 114.79 1mw4 s HIS 14 Ca 0.08 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 1mw4 s HIS 14 Cb 0.10 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 30.26 1mw4 s HIS 14 CO 0.57 -1.83 0.58 2.89 -0.85 0.00 0.00 174.74 176.09 1mw4 n ARG 15 N 6.14 0.77 0.00 1.40 1.85 -1.26 -5.00 116.66 120.56 1mw4 n ARG 15 Ca 0.13 -0.74 0.00 0.00 -1.00 0.00 0.00 57.85 56.24 1mw4 n ARG 15 Cb 0.45 -0.78 0.00 0.00 -1.05 0.00 0.00 32.46 31.08 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 -2.30 8.89 -2.24 -1.26 -5.05 114.28 112.16 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 0.26 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.19 -1.46 -0.78 -0.00 -1.26 -5.13 117.38 108.93 1mw4 n GLN 17 Ca 0.00 -1.58 -0.37 0.00 -0.00 0.00 0.00 57.00 55.05 1mw4 n GLN 17 Cb 0.00 0.16 0.06 0.00 -0.00 0.00 0.00 30.24 30.47 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 0.08 2.73 -0.73 2.61 4.77 -1.26 -4.94 117.00 120.25 1mw4 n LEU 18 Ca -0.11 0.71 0.03 0.00 -0.03 0.00 0.00 56.01 56.62 1mw4 n LEU 18 Cb 0.91 -1.33 0.20 0.00 -2.33 0.00 0.00 43.42 40.87 1mw4 n LEU 18 CO -0.09 -2.32 0.47 0.79 -1.33 0.00 0.00 177.39 174.91 1mw4 n TRP 19 N -2.09 0.32 -4.58 -1.77 8.01 -1.26 -5.01 117.44 111.06 1mw4 n TRP 19 Ca 0.13 -1.50 -0.34 0.00 -1.31 0.00 0.00 57.50 54.49 1mw4 n TRP 19 Cb 0.49 -0.31 -0.12 0.00 -2.01 0.00 0.00 31.31 29.35 1mw4 n TRP 19 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 1mw4 s PHE 20 N -3.22 2.93 0.18 -5.99 0.40 -1.26 -2.71 117.98 108.32 1mw4 s PHE 20 Ca 0.40 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.44 1mw4 s PHE 20 Cb 0.38 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1mw4 s PHE 20 CO -0.04 0.05 0.12 -1.58 0.70 0.00 0.00 175.22 174.46 1mw4 s HIS 21 N -0.05 1.05 0.00 0.36 2.46 -1.15 -4.96 115.29 112.99 1mw4 s HIS 21 Ca -0.00 -1.32 0.00 0.00 0.47 0.00 0.00 55.06 54.21 1mw4 s HIS 21 Cb -0.13 -0.52 0.00 0.00 -0.13 0.00 0.00 32.58 31.80 1mw4 s HIS 21 CO 0.03 -0.61 0.00 0.41 -2.47 0.00 0.00 174.74 172.10 1mw4 n GLY 22 N -0.22 0.60 3.53 1.59 0.00 -1.26 -0.08 105.19 109.34 1mw4 n GLY 22 Ca -0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1mw4 n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mw4 n ARG 23 N 0.00 0.50 -3.95 1.61 1.85 -1.08 -2.82 116.66 112.76 1mw4 n ARG 23 Ca 0.00 -0.05 -0.31 0.00 -1.00 0.00 0.00 57.85 56.49 1mw4 n ARG 23 Cb 0.00 -2.48 -0.15 0.00 -1.05 0.00 0.00 32.46 28.78 1mw4 n ARG 23 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1mw4 s ILE 24 N 10.34 1.83 -0.73 8.89 1.01 -1.12 -4.93 121.20 136.49 1mw4 s ILE 24 Ca 1.16 -1.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1mw4 s ILE 24 Cb -0.68 -2.24 -0.23 0.00 0.01 0.00 0.00 42.46 39.32 1mw4 s ILE 24 CO 0.37 -0.43 1.65 -1.20 0.00 0.00 0.00 174.94 175.33 1mw4 n SER 25 N 4.48 -0.82 -0.23 3.58 7.64 -1.26 -4.73 113.62 122.27 1mw4 n SER 25 Ca -0.03 -0.30 0.04 0.00 1.01 0.00 0.00 58.87 59.59 1mw4 n SER 25 Cb 0.42 -0.44 0.16 0.00 -1.01 0.00 0.00 64.21 63.34 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 8.18 0.27 -0.25 1.43 -0.00 -1.96 2.41 114.38 124.46 1mw4 h ARG 26 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1mw4 h ARG 26 Cb 0.85 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.75 1mw4 h ARG 26 CO 1.16 0.18 0.16 0.93 -0.00 0.00 0.00 179.97 182.39 1mw4 h GLU 27 N 0.28 0.33 0.00 0.08 5.08 -2.01 -2.42 114.58 115.92 1mw4 h GLU 27 Ca 0.38 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1mw4 h GLU 27 Cb 0.62 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1mw4 h GLU 27 CO -0.47 0.24 -0.03 0.93 -1.00 0.00 0.00 179.01 178.68 1mw4 h GLU 28 N 0.33 0.00 -0.11 2.33 4.39 -1.56 -3.32 114.58 116.64 1mw4 h GLU 28 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1mw4 h GLU 28 Cb -0.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1mw4 h GLU 28 CO -0.02 0.00 -0.03 1.03 -1.16 0.00 0.00 179.01 178.83 1mw4 h SER 29 N 0.00 0.21 -0.29 1.42 0.87 0.45 -2.74 113.55 113.47 1mw4 h SER 29 Ca 0.00 -0.38 0.09 0.00 -1.23 0.00 0.00 61.79 60.27 1mw4 h SER 29 Cb 0.91 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1mw4 h SER 29 CO 0.00 0.54 0.37 0.06 -0.53 0.00 0.00 176.83 177.27 1mw4 h GLN 30 N -0.12 0.00 -0.04 2.24 3.07 -1.55 0.11 115.11 118.82 1mw4 h GLN 30 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.71 1mw4 h GLN 30 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1mw4 h GLN 30 CO 0.01 0.00 -0.19 -0.09 0.09 0.00 0.00 178.83 178.66 1mw4 h ARG 31 N 0.00 0.19 0.33 0.06 2.43 -1.65 0.39 114.38 116.14 1mw4 h ARG 31 Ca 0.14 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1mw4 h ARG 31 Cb 0.88 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1mw4 h ARG 31 CO -0.00 0.81 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.04 1mw4 h LEU 32 N -0.39 -0.38 0.00 3.80 3.38 -0.92 -3.03 115.31 117.77 1mw4 h LEU 32 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1mw4 h LEU 32 Cb 0.85 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1mw4 h LEU 32 CO 0.04 0.03 0.00 -0.38 0.09 0.00 0.00 178.44 178.22 1mw4 n ILE 33 N -5.12 0.05 -0.46 1.22 -0.00 0.19 -2.69 119.36 112.55 1mw4 n ILE 33 Ca -0.09 0.01 0.07 0.00 -0.00 0.00 0.00 62.75 62.74 1mw4 n ILE 33 Cb 0.27 -0.64 0.33 0.00 -0.00 0.00 0.00 39.64 39.60 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 0.52 2.58 0.03 7.39 0.00 0.13 -3.39 105.19 112.43 1mw4 n GLY 34 Ca 0.17 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 0.67 0.34 -2.77 1.61 10.64 -1.10 -4.87 117.38 121.90 1mw4 n GLN 35 Ca 0.23 -0.04 -0.42 0.00 -1.83 0.00 0.00 57.00 54.93 1mw4 n GLN 35 Cb 0.94 -1.57 -0.03 0.00 -0.86 0.00 0.00 30.24 28.72 1mw4 n GLN 35 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1mw4 s GLN 36 N -3.24 4.40 -0.35 2.61 1.11 -1.22 -4.94 119.66 118.03 1mw4 s GLN 36 Ca 0.02 1.26 0.09 0.00 0.01 0.00 0.00 55.36 56.73 1mw4 s GLN 36 Cb 0.14 -3.54 0.74 0.00 -1.01 0.00 0.00 33.01 29.34 1mw4 s GLN 36 CO 0.84 -0.27 1.84 0.41 0.01 0.00 0.00 175.29 178.11 1mw4 n GLY 37 N 3.18 3.79 3.20 3.09 0.00 -1.26 -4.94 105.19 112.25 1mw4 n GLY 37 Ca 0.07 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 1mw4 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mw4 n LEU 38 N -0.32 0.00 -4.93 0.99 7.99 -1.26 -4.93 117.00 114.54 1mw4 n LEU 38 Ca 0.45 -1.22 -0.30 0.00 -0.01 0.00 0.00 56.01 54.94 1mw4 n LEU 38 Cb 1.46 -0.84 0.17 0.00 -0.11 0.00 0.00 43.42 44.10 1mw4 n LEU 38 CO 0.48 -1.28 0.87 0.68 -1.51 0.00 0.00 177.39 176.62 1mw4 s VAL 39 N -3.40 2.00 -0.11 4.08 -7.23 -1.26 -3.63 120.40 110.84 1mw4 s VAL 39 Ca 0.62 -0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.77 1mw4 s VAL 39 Cb -0.02 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 1mw4 s VAL 39 CO 0.44 0.00 1.32 0.47 -0.31 0.00 0.00 175.10 177.02 1mw4 n ASP 40 N -3.71 1.51 0.00 4.85 9.92 -1.15 -2.87 116.55 125.10 1mw4 n ASP 40 Ca 0.14 -1.85 0.00 0.00 -0.53 0.00 0.00 54.79 52.55 1mw4 n ASP 40 Cb 0.60 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 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 3.18 0.70 3.34 0.44 0.00 -1.16 -4.10 105.19 107.58 1mw4 n GLY 41 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.19 6.07 0.32 0.99 2.01 -1.14 -1.10 118.68 125.65 1mw4 s LEU 42 Ca 0.00 -1.97 0.07 0.00 0.01 0.00 0.00 54.13 52.24 1mw4 s LEU 42 Cb 0.00 -2.25 -0.06 0.00 0.01 0.00 0.00 46.19 43.89 1mw4 s LEU 42 CO 0.00 -0.86 -0.04 0.72 1.01 0.00 0.00 176.35 177.18 1mw4 s PHE 43 N 1.55 2.14 0.03 0.29 -0.12 -1.21 -0.43 117.98 120.23 1mw4 s PHE 43 Ca 0.11 -0.69 -0.01 0.00 -0.05 0.00 0.00 56.93 56.29 1mw4 s PHE 43 Cb -0.21 -1.30 -0.03 0.00 -0.63 0.00 0.00 43.02 40.85 1mw4 s PHE 43 CO -0.00 0.33 -0.02 -1.17 -0.05 0.00 0.00 175.22 174.31 1mw4 s LEU 44 N -3.53 2.29 -0.89 -1.99 2.96 0.98 -4.14 118.68 114.37 1mw4 s LEU 44 Ca 0.32 -0.68 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1mw4 s LEU 44 Cb 0.05 0.17 0.29 0.00 0.50 0.00 0.00 46.19 47.21 1mw4 s LEU 44 CO 0.14 -0.42 1.22 0.52 -1.32 0.00 0.00 176.35 176.49 1mw4 n VAL 45 N 1.01 4.21 -3.59 1.68 0.31 -1.10 0.17 118.33 121.01 1mw4 n VAL 45 Ca -0.20 -5.67 -0.20 0.00 -0.01 0.00 0.00 64.34 58.26 1mw4 n VAL 45 Cb 0.57 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.50 1mw4 n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mw4 s ARG 46 N -2.87 3.21 0.00 5.55 1.70 0.21 -2.95 118.95 123.80 1mw4 s ARG 46 Ca 0.36 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1mw4 s ARG 46 Cb 0.11 -2.83 0.00 0.00 -0.57 0.00 0.00 34.95 31.66 1mw4 s ARG 46 CO 0.03 0.15 0.00 -0.85 -1.08 0.00 0.00 175.30 173.56 1mw4 n GLU 47 N -1.59 0.00 -4.39 3.89 0.28 0.88 0.56 120.64 120.27 1mw4 n GLU 47 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.78 1mw4 n GLU 47 Cb 0.58 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.31 1mw4 n GLU 47 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1mw4 s SER 48 N 1.11 1.38 -0.20 -1.84 1.04 -1.18 -2.65 113.70 111.36 1mw4 s SER 48 Ca 0.00 -0.32 0.15 0.00 0.48 0.00 0.00 55.95 56.26 1mw4 s SER 48 Cb 0.00 -0.11 0.77 0.00 0.10 0.00 0.00 66.02 66.77 1mw4 s SER 48 CO 0.00 0.07 1.67 0.00 0.98 0.00 0.00 173.24 175.97 1mw4 n GLN 49 N 2.37 4.45 0.00 4.02 -0.00 -1.26 -4.14 117.38 122.82 1mw4 n GLN 49 Ca -0.16 -2.96 0.00 0.00 -0.00 0.00 0.00 57.00 53.88 1mw4 n GLN 49 Cb 0.56 -2.14 0.00 0.00 -0.00 0.00 0.00 30.24 28.65 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 0.74 0.77 -2.70 2.61 3.00 -1.26 -4.99 116.66 114.84 1mw4 n ARG 50 Ca 0.26 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.68 1mw4 n ARG 50 Cb 1.08 -0.96 -0.03 0.00 0.00 0.00 0.00 32.46 32.56 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 -3.68 6.72 0.49 6.15 0.02 -1.26 -4.80 114.94 118.58 1mw4 s ASN 51 Ca 0.00 0.64 0.32 0.00 -1.02 0.00 0.00 52.86 52.80 1mw4 s ASN 51 Cb 0.00 -2.51 1.43 0.00 0.02 0.00 0.00 41.25 40.19 1mw4 s ASN 51 CO 0.00 -1.00 1.74 -0.65 0.02 0.00 0.00 177.10 177.21 1mw4 h PRO 52 N 8.64 0.12 -1.89 -0.60 0.11 -1.94 0.91 132.00 137.36 1mw4 h PRO 52 Ca -0.22 -0.01 -0.71 0.00 0.11 0.00 0.00 66.00 65.17 1mw4 h PRO 52 Cb 1.07 -0.03 -0.33 0.00 0.11 0.00 0.00 31.00 31.82 1mw4 h PRO 52 CO 1.04 0.08 0.39 1.04 -0.21 0.00 0.00 178.00 180.34 1mw4 n GLN 53 N -4.36 3.28 -3.54 1.05 6.02 -1.26 -4.88 117.38 113.68 1mw4 n GLN 53 Ca 0.30 -4.04 -0.41 0.00 -0.01 0.00 0.00 57.00 52.84 1mw4 n GLN 53 Cb 1.26 -2.28 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 1mw4 n GLN 53 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1mw4 s GLY 54 N -2.04 2.62 -0.30 1.08 0.00 0.32 -3.82 107.32 105.18 1mw4 s GLY 54 Ca 0.49 -3.33 -0.03 0.00 0.00 0.00 0.00 44.72 41.84 1mw4 s GLY 54 CO -0.30 1.18 0.14 -1.36 0.00 0.00 0.00 173.10 172.76 1mw4 s PHE 55 N -0.06 0.43 0.06 1.90 0.40 -0.53 -3.13 117.98 117.05 1mw4 s PHE 55 Ca 0.18 -1.02 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 1mw4 s PHE 55 Cb -0.15 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 1mw4 s PHE 55 CO -0.06 -0.83 0.04 0.54 0.70 0.00 0.00 175.22 175.60 1mw4 s VAL 56 N 1.94 4.30 -0.20 -0.44 0.11 0.19 -2.75 120.40 123.55 1mw4 s VAL 56 Ca 0.10 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 1mw4 s VAL 56 Cb -0.17 -3.02 0.03 0.00 -1.53 0.00 0.00 36.38 31.69 1mw4 s VAL 56 CO -0.32 0.20 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.27 1mw4 s LEU 57 N -2.11 2.52 -0.18 2.54 0.20 -1.00 -0.62 118.68 120.03 1mw4 s LEU 57 Ca 0.25 -0.83 -0.11 0.00 0.69 0.00 0.00 54.13 54.13 1mw4 s LEU 57 Cb -0.12 -1.51 -0.05 0.00 -0.43 0.00 0.00 46.19 44.08 1mw4 s LEU 57 CO 0.17 -0.05 0.19 -0.44 -0.29 0.00 0.00 176.35 175.93 1mw4 s SER 58 N 1.25 6.31 0.27 3.68 0.01 0.44 -1.98 113.70 123.68 1mw4 s SER 58 Ca 0.01 0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.67 1mw4 s SER 58 Cb -0.15 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1mw4 s SER 58 CO -0.10 0.16 0.40 -0.76 0.41 0.00 0.00 173.24 173.34 1mw4 s LEU 59 N 0.34 4.22 -0.38 2.44 2.01 -0.58 -0.02 118.68 126.72 1mw4 s LEU 59 Ca 0.12 0.03 0.02 0.00 0.01 0.00 0.00 54.13 54.31 1mw4 s LEU 59 Cb -0.12 -2.86 0.16 0.00 0.01 0.00 0.00 46.19 43.38 1mw4 s LEU 59 CO 0.01 -0.17 0.28 0.00 1.01 0.00 0.00 176.35 177.48 1mw4 s HIS 61 N 0.56 2.93 -0.50 0.00 5.04 0.50 -2.96 115.29 120.86 1mw4 s HIS 61 Ca 0.26 0.09 -0.02 0.00 -1.54 0.00 0.00 55.06 53.85 1mw4 s HIS 61 Cb -0.09 -2.74 0.30 0.00 0.04 0.00 0.00 32.58 30.10 1mw4 s HIS 61 CO -0.10 -0.86 2.09 1.47 -2.34 0.00 0.00 174.74 175.00 1mw4 n LEU 62 N -2.37 7.04 0.00 8.88 -0.00 -1.24 -3.28 117.00 126.02 1mw4 n LEU 62 Ca 0.07 -3.85 0.00 0.00 -0.00 0.00 0.00 56.01 52.23 1mw4 n LEU 62 Cb 0.59 -1.04 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 1mw4 n LEU 62 CO 0.46 1.39 0.00 0.00 -0.00 0.00 0.00 177.39 179.25 1mw4 n GLN 63 N -0.17 0.00 -3.89 1.47 1.13 -1.26 -5.10 117.38 109.56 1mw4 n GLN 63 Ca 0.46 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.40 1mw4 n GLN 63 Cb 0.59 -0.20 -0.01 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 -1.15 0.88 -3.77 -1.09 2.85 -1.21 -5.17 118.16 109.50 1mw4 n LYS 64 Ca 0.00 -2.57 -0.15 0.00 -1.05 0.00 0.00 58.31 54.54 1mw4 n LYS 64 Cb 0.00 2.73 -0.16 0.00 -0.65 0.00 0.00 35.03 36.96 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 -2.53 -0.05 0.12 0.58 -7.23 -1.26 -0.37 120.40 109.64 1mw4 s VAL 65 Ca 0.24 0.20 0.03 0.00 -1.81 0.00 0.00 61.98 60.63 1mw4 s VAL 65 Cb -0.03 -0.11 -0.01 0.00 0.56 0.00 0.00 36.38 36.80 1mw4 s VAL 65 CO 0.17 0.08 0.10 2.29 -0.31 0.00 0.00 175.10 177.43 1mw4 n LYS 66 N 4.11 0.14 -4.12 4.82 0.00 -1.15 -4.81 118.16 117.16 1mw4 n LYS 66 Ca -0.27 -1.16 -0.13 0.00 -0.00 0.00 0.00 58.31 56.76 1mw4 n LYS 66 Cb 0.51 0.96 -0.11 0.00 -0.00 0.00 0.00 35.03 36.39 1mw4 n LYS 66 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1mw4 s HIS 67 N -2.49 0.84 -0.40 5.58 3.76 -1.26 -1.52 115.29 119.80 1mw4 s HIS 67 Ca 0.14 -0.65 0.03 0.00 -0.15 0.00 0.00 55.06 54.43 1mw4 s HIS 67 Cb 0.01 -0.48 0.16 0.00 1.11 0.00 0.00 32.58 33.37 1mw4 s HIS 67 CO 0.10 -0.08 0.32 0.71 -0.85 0.00 0.00 174.74 174.93 1mw4 s TYR 68 N -2.24 0.86 -0.38 1.40 1.51 -0.84 -4.89 117.35 112.78 1mw4 s TYR 68 Ca -0.00 -2.04 0.05 0.00 -1.01 0.00 0.00 57.07 54.07 1mw4 s TYR 68 Cb -0.04 -0.86 0.46 0.00 -0.11 0.00 0.00 41.96 41.41 1mw4 s TYR 68 CO -0.01 -0.85 1.42 1.47 -1.11 0.00 0.00 175.55 176.48 1mw4 n LEU 69 N 3.22 5.46 -1.95 -1.29 -0.00 -1.11 -2.36 117.00 118.97 1mw4 n LEU 69 Ca 0.24 -4.52 -0.22 0.00 -0.00 0.00 0.00 56.01 51.51 1mw4 n LEU 69 Cb 0.45 -0.53 0.13 0.00 -0.00 0.00 0.00 43.42 43.48 1mw4 n LEU 69 CO 0.09 1.85 1.03 -0.38 -0.00 0.00 0.00 177.39 179.99 1mw4 n ILE 70 N -0.81 3.07 -2.83 1.47 5.41 -1.23 -1.46 119.36 122.97 1mw4 n ILE 70 Ca 0.47 -2.75 -0.35 0.00 1.00 0.00 0.00 62.75 61.12 1mw4 n ILE 70 Cb 0.89 -0.72 -0.01 0.00 -0.71 0.00 0.00 39.64 39.09 1mw4 n ILE 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1mw4 n LEU 71 N -1.02 6.00 -4.60 1.39 -0.00 0.36 -4.51 117.00 114.63 1mw4 n LEU 71 Ca 0.52 -5.49 -0.43 0.00 -0.00 0.00 0.00 56.01 50.61 1mw4 n LEU 71 Cb 1.11 -0.92 -0.03 0.00 -0.00 0.00 0.00 43.42 43.58 1mw4 n LEU 71 CO 0.52 2.13 1.53 -2.16 -0.00 0.00 0.00 177.39 179.41 1mw4 s PRO 72 N -3.76 3.32 -0.89 1.47 0.04 -1.26 -3.22 135.00 130.70 1mw4 s PRO 72 Ca 0.42 1.39 -0.31 0.00 0.04 0.00 0.00 61.00 62.54 1mw4 s PRO 72 Cb 0.21 -4.20 -0.19 0.00 0.04 0.00 0.00 34.50 30.36 1mw4 s PRO 72 CO -0.10 -1.88 2.63 -1.13 0.04 0.00 0.00 177.00 176.56 1mw4 n SER 73 N 10.33 0.67 -5.02 6.66 3.41 -1.26 -4.54 113.62 123.88 1mw4 n SER 73 Ca 0.23 0.09 -0.18 0.00 -0.26 0.00 0.00 58.87 58.74 1mw4 n SER 73 Cb 0.47 -1.04 0.03 0.00 -0.26 0.00 0.00 64.21 63.41 1mw4 n SER 73 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1mw4 s GLU 74 N 8.73 2.62 0.00 4.33 2.56 -0.91 -5.00 118.70 131.03 1mw4 s GLU 74 Ca 1.29 -1.38 0.20 0.00 0.00 0.00 0.00 54.97 55.07 1mw4 s GLU 74 Cb -1.08 -2.71 0.57 0.00 2.00 0.00 0.00 34.13 32.90 1mw4 s GLU 74 CO 0.46 -0.51 1.47 0.39 -0.56 0.00 0.00 175.26 176.51 1mw4 n GLU 75 N -2.01 2.48 0.00 4.30 -0.58 -1.26 -3.31 120.64 120.25 1mw4 n GLU 75 Ca 0.11 -2.30 0.03 0.00 -0.42 0.00 0.00 57.16 54.57 1mw4 n GLU 75 Cb 0.60 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.99 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 1.38 0.58 -3.61 3.49 2.13 -1.26 -5.05 120.64 118.30 1mw4 n GLU 76 Ca 0.21 -0.69 0.00 0.00 0.66 0.00 0.00 57.16 57.35 1mw4 n GLU 76 Cb 0.54 -1.04 -0.01 0.00 0.27 0.00 0.00 31.44 31.20 1mw4 n GLU 76 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1mw4 s GLY 77 N -0.58 -0.32 0.00 8.31 0.00 -1.21 -5.15 107.32 108.37 1mw4 s GLY 77 Ca 0.05 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.32 1mw4 s GLY 77 CO 0.08 0.46 0.00 0.54 0.00 0.00 0.00 173.10 174.18 1mw4 n ARG 78 N -0.21 0.00 -2.65 2.90 5.12 -1.26 -2.14 116.66 118.42 1mw4 n ARG 78 Ca -0.01 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.49 1mw4 n ARG 78 Cb 0.59 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.86 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 4.32 -0.59 0.55 2.01 -0.99 -3.11 118.68 120.88 1mw4 s LEU 79 Ca 0.00 1.66 -0.21 0.00 0.01 0.00 0.00 54.13 55.59 1mw4 s LEU 79 Cb 0.00 -3.56 0.07 0.00 0.01 0.00 0.00 46.19 42.71 1mw4 s LEU 79 CO 0.00 -0.38 0.80 -0.31 1.01 0.00 0.00 176.35 177.48 1mw4 s TYR 80 N 1.49 2.88 -0.06 0.29 1.51 -1.20 0.97 117.35 123.23 1mw4 s TYR 80 Ca 0.52 -0.59 -0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1mw4 s TYR 80 Cb -0.21 -3.99 -0.03 0.00 -0.11 0.00 0.00 41.96 37.61 1mw4 s TYR 80 CO 0.24 -1.35 -0.02 -0.06 -1.11 0.00 0.00 175.55 173.25 1mw4 s PHE 81 N 3.29 3.09 0.01 2.71 0.40 -1.26 -0.49 117.98 125.73 1mw4 s PHE 81 Ca 0.18 0.13 -0.16 0.00 -0.60 0.00 0.00 56.93 56.48 1mw4 s PHE 81 Cb -0.19 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.63 1mw4 s PHE 81 CO 0.11 0.44 0.36 0.45 0.70 0.00 0.00 175.22 177.27 1mw4 s SER 82 N -1.02 -0.22 0.02 1.36 0.15 -1.26 -1.48 113.70 111.24 1mw4 s SER 82 Ca 0.14 0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.82 1mw4 s SER 82 Cb -0.11 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1mw4 s SER 82 CO 0.04 -0.56 0.03 1.15 1.20 0.00 0.00 173.24 175.10 1mw4 n MET 83 N 0.86 0.04 -0.25 5.44 0.00 0.97 -4.92 117.12 119.26 1mw4 n MET 83 Ca -0.20 -0.12 0.06 0.00 0.00 0.00 0.00 57.70 57.43 1mw4 n MET 83 Cb 0.58 0.13 0.18 0.00 0.00 0.00 0.00 33.22 34.10 1mw4 n MET 83 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 1mw4 h ASP 84 N 0.09 -0.11 -0.41 3.17 1.82 -2.02 -3.14 116.42 115.81 1mw4 h ASP 84 Ca -0.01 0.16 -0.24 0.00 -0.39 0.00 0.00 57.03 56.55 1mw4 h ASP 84 Cb 0.06 0.25 -0.40 0.00 0.68 0.00 0.00 39.33 39.92 1mw4 h ASP 84 CO 0.02 -0.10 -1.11 -0.90 -1.61 0.00 0.00 179.24 175.54 1mw4 n ASP 85 N -5.23 1.52 -3.87 2.28 5.75 -1.26 -5.09 116.55 110.65 1mw4 n ASP 85 Ca 0.14 -2.02 -0.12 0.00 -0.01 0.00 0.00 54.79 52.78 1mw4 n ASP 85 Cb 0.47 -0.46 -0.14 0.00 -1.03 0.00 0.00 41.12 39.96 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 -3.70 0.01 -0.41 6.12 0.00 -1.19 -5.09 107.32 103.06 1mw4 s GLY 86 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 44.72 45.05 1mw4 s GLY 86 CO -0.05 0.02 0.40 0.61 0.00 0.00 0.00 173.10 174.08 1mw4 n GLN 87 N 3.11 0.34 -0.67 2.90 10.64 -1.26 -0.02 117.38 132.42 1mw4 n GLN 87 Ca -0.13 -3.14 0.08 0.00 -1.83 0.00 0.00 57.00 51.98 1mw4 n GLN 87 Cb 0.60 -1.54 0.35 0.00 -0.86 0.00 0.00 30.24 28.79 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 2.43 2.28 -0.79 -0.39 -2.24 -0.55 -4.91 114.28 110.11 1mw4 n THR 88 Ca 0.27 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 1mw4 n THR 88 Cb 0.50 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.52 0.00 -2.92 -0.78 1.85 -0.92 -4.45 116.66 109.96 1mw4 n ARG 89 Ca 0.25 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 57.02 1mw4 n ARG 89 Cb 1.00 -0.96 -0.03 0.00 -1.05 0.00 0.00 32.46 31.42 1mw4 n ARG 89 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1mw4 n PHE 90 N 3.02 -0.42 -0.61 2.89 7.35 0.27 -4.17 117.46 125.80 1mw4 n PHE 90 Ca 0.00 -1.19 -0.30 0.00 -0.76 0.00 0.00 57.45 55.19 1mw4 n PHE 90 Cb 0.16 0.14 0.20 0.00 0.35 0.00 0.00 39.48 40.33 1mw4 n PHE 90 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1mw4 n THR 91 N -0.27 0.00 0.01 -2.13 -1.04 -1.26 -2.34 114.28 107.25 1mw4 n THR 91 Ca 0.03 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1mw4 n THR 91 Cb 0.26 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 1mw4 n THR 91 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1mw4 n ASP 92 N -4.04 0.13 -0.42 8.00 5.75 -1.26 -4.79 116.55 119.93 1mw4 n ASP 92 Ca 0.07 0.04 -0.10 0.00 -0.01 0.00 0.00 54.79 54.79 1mw4 n ASP 92 Cb 0.54 -0.02 -0.09 0.00 -1.03 0.00 0.00 41.12 40.51 1mw4 n ASP 92 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1mw4 n LEU 93 N -2.97 -1.03 -0.25 -2.12 0.00 -1.26 0.15 117.00 109.52 1mw4 n LEU 93 Ca 0.00 1.77 -0.10 0.00 0.00 0.00 0.00 56.01 57.68 1mw4 n LEU 93 Cb 0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 43.42 43.42 1mw4 n LEU 93 CO 0.00 -1.45 0.53 0.25 0.00 0.00 0.00 177.39 176.72 1mw4 h LEU 94 N 0.00 -1.77 -0.61 -1.96 7.12 -2.02 -0.50 115.31 115.58 1mw4 h LEU 94 Ca 0.17 0.27 -0.14 0.00 0.13 0.00 0.00 57.88 58.31 1mw4 h LEU 94 Cb 0.42 0.78 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 1mw4 h LEU 94 CO -0.94 -0.33 -0.41 0.06 -0.13 0.00 0.00 178.44 176.69 1mw4 h GLN 95 N -0.21 0.64 -0.77 1.25 3.07 -1.52 -3.13 115.11 114.43 1mw4 h GLN 95 Ca 0.15 -0.33 0.13 0.00 0.09 0.00 0.00 58.65 58.69 1mw4 h GLN 95 Cb 0.54 0.01 -0.14 0.00 0.08 0.00 0.00 27.48 27.97 1mw4 h GLN 95 CO -0.74 0.93 -0.33 1.25 0.09 0.00 0.00 178.83 180.03 1mw4 h LEU 96 N 0.52 -1.19 0.43 0.06 6.46 0.30 2.24 115.31 124.13 1mw4 h LEU 96 Ca 0.04 0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 58.04 1mw4 h LEU 96 Cb 0.93 0.63 0.00 0.00 -0.73 0.00 0.00 40.66 41.50 1mw4 h LEU 96 CO 0.08 -0.29 -0.21 0.58 -0.62 0.00 0.00 178.44 177.98 1mw4 h VAL 97 N -0.08 0.00 0.40 1.05 2.07 -1.46 -1.68 116.25 116.56 1mw4 h VAL 97 Ca 0.30 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1mw4 h VAL 97 Cb 0.58 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1mw4 h VAL 97 CO -0.82 0.00 -0.19 -0.08 0.02 0.00 0.00 177.57 176.50 1mw4 h GLU 98 N -0.82 -0.52 0.00 1.57 4.81 -1.43 -2.79 114.58 115.40 1mw4 h GLU 98 Ca -0.06 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1mw4 h GLU 98 Cb 0.45 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1mw4 h GLU 98 CO 0.10 -0.22 0.00 1.19 -0.73 0.00 0.00 179.01 179.35 1mw4 n PHE 99 N -5.22 0.34 -0.51 0.92 3.01 0.75 -3.06 117.46 113.70 1mw4 n PHE 99 Ca -0.10 0.16 0.42 0.00 1.01 0.00 0.00 57.45 58.94 1mw4 n PHE 99 Cb 0.28 -0.76 0.69 0.00 -0.01 0.00 0.00 39.48 39.69 1mw4 n PHE 99 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1mw4 n HIS 100 N -1.84 0.58 0.23 1.38 -0.00 -0.63 0.13 115.22 115.08 1mw4 n HIS 100 Ca 0.01 0.59 -0.10 0.00 -0.00 0.00 0.00 57.72 58.22 1mw4 n HIS 100 Cb 0.08 -1.03 -0.05 0.00 -0.00 0.00 0.00 29.99 28.99 1mw4 n HIS 100 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1mw4 h GLN 101 N 0.00 -0.59 -1.94 1.57 1.08 -1.76 -3.19 115.11 110.28 1mw4 h GLN 101 Ca 0.88 0.04 -0.52 0.00 -1.45 0.00 0.00 58.65 57.60 1mw4 h GLN 101 Cb 2.96 0.13 -0.41 0.00 -0.05 0.00 0.00 27.48 30.11 1mw4 h GLN 101 CO -0.39 -0.39 -0.94 1.28 -0.95 0.00 0.00 178.83 177.44 1mw4 n LEU 102 N -3.76 2.66 -4.73 1.46 7.99 0.49 -4.41 117.00 116.70 1mw4 n LEU 102 Ca -0.07 -5.13 -0.40 0.00 -0.01 0.00 0.00 56.01 50.39 1mw4 n LEU 102 Cb 0.25 0.09 -0.05 0.00 -0.11 0.00 0.00 43.42 43.60 1mw4 n LEU 102 CO 0.18 2.23 0.42 0.21 -1.51 0.00 0.00 177.39 178.92 1mw4 s ASN 103 N -3.01 7.06 -0.86 -1.43 2.47 0.35 -4.85 114.94 114.67 1mw4 s ASN 103 Ca 0.43 1.28 -0.23 0.00 0.42 0.00 0.00 52.86 54.75 1mw4 s ASN 103 Cb 0.34 -2.43 -0.18 0.00 -1.45 0.00 0.00 41.25 37.53 1mw4 s ASN 103 CO -0.10 -0.08 2.20 0.54 -3.72 0.00 0.00 177.10 175.94 1mw4 n ARG 104 N 3.46 0.31 0.00 0.43 3.00 -1.26 -3.85 116.66 118.75 1mw4 n ARG 104 Ca -0.02 -1.03 0.00 0.00 -0.01 0.00 0.00 57.85 56.79 1mw4 n ARG 104 Cb 0.51 -3.39 0.00 0.00 0.00 0.00 0.00 32.46 29.58 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 6.31 -0.36 3.91 -0.13 0.00 -1.03 -4.92 105.19 108.97 1mw4 n GLY 105 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.98 5.17 0.00 -0.61 -1.16 -1.25 -4.99 121.20 117.39 1mw4 s ILE 106 Ca 0.00 -0.14 0.00 0.00 -0.51 0.00 0.00 60.65 60.00 1mw4 s ILE 106 Cb 0.00 -3.68 0.00 0.00 0.61 0.00 0.00 42.46 39.39 1mw4 s ILE 106 CO 0.00 -0.10 0.28 0.18 -2.81 0.00 0.00 174.94 172.49 1mw4 n LEU 107 N -0.36 0.00 -0.02 8.50 4.77 -1.26 -4.48 117.00 124.15 1mw4 n LEU 107 Ca -0.03 0.28 -0.03 0.00 -0.03 0.00 0.00 56.01 56.20 1mw4 n LEU 107 Cb 0.53 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1mw4 n LEU 107 CO 0.49 -0.02 -0.19 -0.81 -1.33 0.00 0.00 177.39 175.52 1mw4 n PRO 108 N -0.92 0.15 0.00 3.23 -0.04 -1.26 -5.01 135.00 131.15 1mw4 n PRO 108 Ca 0.00 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1mw4 n PRO 108 Cb 0.00 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.55 0.00 0.00 7.99 -1.26 -4.68 117.00 117.49 1mw4 n LEU 110 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 1mw4 n LEU 110 Cb 0.00 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 42.88 1mw4 n LEU 110 CO 0.00 -2.17 -0.40 0.00 -1.51 0.00 0.00 177.39 173.32 1mw4 n LEU 111 N 1.18 0.00 -4.55 2.23 -0.00 -1.26 -3.77 117.00 110.82 1mw4 n LEU 111 Ca 0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.67 1mw4 n LEU 111 Cb 0.21 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.67 1mw4 n LEU 111 CO 0.27 0.00 0.35 0.54 -0.00 0.00 0.00 177.39 178.55 1mw4 n ARG 112 N -1.53 0.79 -3.76 1.47 1.74 -1.25 -2.46 116.66 111.66 1mw4 n ARG 112 Ca 0.00 0.30 -0.10 0.00 -0.77 0.00 0.00 57.85 57.28 1mw4 n ARG 112 Cb 0.27 -1.95 -0.07 0.00 -1.02 0.00 0.00 32.46 29.69 1mw4 n ARG 112 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1mw4 s HIS 113 N -1.56 -0.04 0.00 -1.55 -3.43 -1.20 -2.98 115.29 104.53 1mw4 s HIS 113 Ca 0.71 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.73 1mw4 s HIS 113 Cb -0.45 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 30.78 1mw4 s HIS 113 CO 0.51 -0.57 0.00 0.00 -2.00 0.00 0.00 174.74 172.69 1mw4 s THR 116 N -1.37 1.84 -0.51 0.00 2.01 -1.26 -3.33 115.64 113.03 1mw4 s THR 116 Ca 0.00 -2.18 0.01 0.00 0.31 0.00 0.00 61.69 59.83 1mw4 s THR 116 Cb 0.00 -2.40 0.13 0.00 0.01 0.00 0.00 72.50 70.25 1mw4 s THR 116 CO 0.00 -0.35 0.27 -0.60 -0.69 0.00 0.00 174.62 173.25 1mw4 s ARG 117 N -3.67 2.06 0.03 4.92 6.06 -1.26 -4.85 118.95 122.24 1mw4 s ARG 117 Ca 0.29 -2.40 0.00 0.00 -2.50 0.00 0.00 55.73 51.12 1mw4 s ARG 117 Cb 0.02 -3.44 0.00 0.00 0.06 0.00 0.00 34.95 31.59 1mw4 s ARG 117 CO 0.12 -1.10 0.00 1.33 -2.50 0.00 0.00 175.30 173.16 1mw4 n VAL 118 N 3.54 0.00 0.00 7.11 0.24 -1.26 -4.93 118.33 123.03 1mw4 n VAL 118 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1mw4 n VAL 118 Cb 0.36 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 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 -2.59 0.00 0.92 2.33 0.00 -1.26 -5.24 120.51 114.67 1mw4 n ALA 119 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1mw4 n ALA 119 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1mw4 n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78