#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 -4.56 1.61 2.88 -1.26 -5.07 113.62 105.98 1mw4 n SER 2 Ca 0.00 0.39 -0.40 0.00 -1.33 0.00 0.00 58.87 57.52 1mw4 n SER 2 Cb 0.00 1.33 -0.04 0.00 -0.75 0.00 0.00 64.21 64.75 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 1.42 -3.61 -1.46 -0.04 -1.26 -4.92 135.00 122.10 1mw4 n PRO 3 Ca 0.00 0.25 -0.23 0.00 -0.04 0.00 0.00 63.50 63.48 1mw4 n PRO 3 Cb 0.00 -3.25 -0.17 0.00 -0.04 0.00 0.00 33.50 30.05 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 10.17 0.25 0.29 0.55 0.00 -1.26 -5.15 121.76 126.60 1mw4 s ALA 4 Ca 1.01 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.98 1mw4 s ALA 4 Cb -0.32 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1mw4 s ALA 4 CO 0.32 -0.98 0.34 -1.12 0.00 0.00 0.00 175.76 174.32 1mw4 s SER 5 N 2.18 5.87 0.00 0.00 0.01 -1.26 -5.02 113.70 115.47 1mw4 s SER 5 Ca 0.03 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1mw4 s SER 5 Cb -0.15 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.65 1mw4 s SER 5 CO -0.08 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1mw4 n GLY 6 N -1.41 -1.73 3.50 3.44 0.00 -1.26 -5.16 105.19 102.56 1mw4 n GLY 6 Ca -0.05 0.60 -0.25 0.00 0.00 0.00 0.00 46.02 46.32 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 2.37 0.59 2.61 2.01 -1.26 -5.14 115.64 116.82 1mw4 s THR 7 Ca 0.00 -2.33 -0.09 0.00 0.31 0.00 0.00 61.69 59.58 1mw4 s THR 7 Cb 0.00 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1mw4 s THR 7 CO 0.00 -0.33 0.97 -0.94 -0.69 0.00 0.00 174.62 173.63 1mw4 s SER 8 N -3.54 6.11 -0.06 3.53 1.04 -1.26 -5.09 113.70 114.43 1mw4 s SER 8 Ca 0.31 1.22 0.04 0.00 0.48 0.00 0.00 55.95 58.00 1mw4 s SER 8 Cb -0.02 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1mw4 s SER 8 CO 0.15 -0.86 -0.17 -0.22 0.98 0.00 0.00 173.24 173.13 1mw4 s LEU 9 N -5.08 1.85 -0.10 2.42 1.98 -1.26 -5.13 118.68 113.36 1mw4 s LEU 9 Ca 0.53 -0.37 -0.01 0.00 -2.89 0.00 0.00 54.13 51.39 1mw4 s LEU 9 Cb -0.11 -1.00 -0.03 0.00 0.66 0.00 0.00 46.19 45.72 1mw4 s LEU 9 CO 0.51 0.11 -0.06 -0.55 -1.89 0.00 0.00 176.35 174.48 1mw4 s SER 10 N 0.30 4.71 -0.10 3.68 0.15 -1.26 -4.91 113.70 116.28 1mw4 s SER 10 Ca -0.10 -0.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.41 1mw4 s SER 10 Cb -0.14 -1.42 0.03 0.00 -1.71 0.00 0.00 66.02 62.78 1mw4 s SER 10 CO 0.04 0.29 0.25 0.00 1.20 0.00 0.00 173.24 175.02 1mw4 s ALA 11 N -0.38 -0.60 -0.81 5.45 0.00 -1.26 -5.08 121.76 119.08 1mw4 s ALA 11 Ca 0.06 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.83 1mw4 s ALA 11 Cb -0.12 -0.48 0.30 0.00 0.00 0.00 0.00 23.12 22.82 1mw4 s ALA 11 CO 0.02 -0.14 1.22 0.00 0.00 0.00 0.00 175.76 176.86 1mw4 n ALA 12 N 3.33 4.95 0.21 0.00 0.00 -1.26 -4.78 120.51 122.97 1mw4 n ALA 12 Ca -0.16 -4.73 0.11 0.00 0.00 0.00 0.00 53.44 48.66 1mw4 n ALA 12 Cb 0.57 -1.48 0.16 0.00 0.00 0.00 0.00 19.45 18.69 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 2.97 0.06 -2.94 0.00 2.10 -1.98 -3.44 117.51 114.28 1mw4 h ILE 13 Ca 0.26 -1.09 -0.57 0.00 1.08 0.00 0.00 64.86 64.54 1mw4 h ILE 13 Cb 0.53 2.03 -0.04 0.00 -1.09 0.00 0.00 36.82 38.25 1mw4 h ILE 13 CO 1.03 0.04 0.94 -1.00 -1.08 0.00 0.00 178.15 178.08 1mw4 s HIS 14 N -3.19 2.71 -0.11 2.19 3.76 -1.26 -4.85 115.29 114.54 1mw4 s HIS 14 Ca 0.07 0.90 0.06 0.00 -0.15 0.00 0.00 55.06 55.94 1mw4 s HIS 14 Cb 0.05 -3.66 -0.08 0.00 1.11 0.00 0.00 32.58 30.00 1mw4 s HIS 14 CO 0.68 -1.90 0.18 2.89 -0.85 0.00 0.00 174.74 175.73 1mw4 n ARG 15 N 6.88 1.99 0.00 1.40 1.85 -1.26 -5.03 116.66 122.48 1mw4 n ARG 15 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 1mw4 n ARG 15 Cb 0.45 -1.01 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 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 -1.50 0.00 -1.10 8.89 -2.24 -1.26 -5.00 114.28 112.07 1mw4 n THR 16 Ca -0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1mw4 n THR 16 Cb 0.13 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 68.65 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 3.39 -0.67 -0.78 -0.00 -1.26 -5.00 117.38 113.06 1mw4 n GLN 17 Ca 0.00 -3.08 -0.31 0.00 -0.00 0.00 0.00 57.00 53.61 1mw4 n GLN 17 Cb 0.00 -2.18 0.17 0.00 -0.00 0.00 0.00 30.24 28.24 1mw4 n GLN 17 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1mw4 n LEU 18 N -0.37 2.42 -2.78 2.61 7.94 -1.26 -5.00 117.00 120.57 1mw4 n LEU 18 Ca 0.42 0.35 -0.11 0.00 -1.11 0.00 0.00 56.01 55.56 1mw4 n LEU 18 Cb 1.39 -1.42 0.02 0.00 0.53 0.00 0.00 43.42 43.94 1mw4 n LEU 18 CO 0.43 -2.45 -0.14 -2.67 -1.11 0.00 0.00 177.39 171.46 1mw4 n TRP 19 N -4.25 0.88 -3.87 1.96 -0.00 -1.26 -4.99 117.44 105.91 1mw4 n TRP 19 Ca 0.10 -3.00 -0.27 0.00 -0.00 0.00 0.00 57.50 54.33 1mw4 n TRP 19 Cb 0.52 -0.36 -0.17 0.00 -0.00 0.00 0.00 31.31 31.31 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 1.42 0.19 -2.67 5.36 -1.25 -2.59 117.98 115.52 1mw4 s PHE 20 Ca 0.30 -0.77 -0.01 0.00 -0.96 0.00 0.00 56.93 55.48 1mw4 s PHE 20 Cb 0.43 -1.19 -0.04 0.00 -0.34 0.00 0.00 43.02 41.88 1mw4 s PHE 20 CO 0.01 -0.53 0.12 -1.58 -1.46 0.00 0.00 175.22 171.79 1mw4 s HIS 21 N 1.73 1.07 0.00 10.12 5.65 -1.12 -4.76 115.29 127.98 1mw4 s HIS 21 Ca 0.03 -1.33 0.00 0.00 0.25 0.00 0.00 55.06 54.02 1mw4 s HIS 21 Cb -0.14 -0.52 0.00 0.00 -1.18 0.00 0.00 32.58 30.75 1mw4 s HIS 21 CO -0.08 -0.62 0.00 0.41 -0.65 0.00 0.00 174.74 173.80 1mw4 n GLY 22 N -0.23 0.49 3.50 1.59 0.00 -1.26 0.42 105.19 109.70 1mw4 n GLY 22 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.05 -3.61 1.61 0.63 -1.21 -2.95 116.66 111.19 1mw4 n ARG 23 Ca 0.00 -0.01 -0.29 0.00 -0.92 0.00 0.00 57.85 56.62 1mw4 n ARG 23 Cb 0.00 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.27 1mw4 n ARG 23 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1mw4 s ILE 24 N 7.09 0.58 -0.75 5.15 1.01 -1.17 -4.94 121.20 128.18 1mw4 s ILE 24 Ca 1.33 -1.63 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 1mw4 s ILE 24 Cb -1.10 -1.43 -0.21 0.00 0.01 0.00 0.00 42.46 39.73 1mw4 s ILE 24 CO 0.49 -0.83 1.83 -1.20 0.00 0.00 0.00 174.94 175.23 1mw4 n SER 25 N 4.39 -0.39 0.07 3.58 7.64 -1.26 -4.78 113.62 122.86 1mw4 n SER 25 Ca 0.04 -0.12 -0.15 0.00 1.01 0.00 0.00 58.87 59.65 1mw4 n SER 25 Cb 0.39 -0.55 -0.09 0.00 -1.01 0.00 0.00 64.21 62.94 1mw4 n SER 25 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1mw4 h ARG 26 N 8.61 -0.65 -0.95 1.43 1.12 -1.97 1.73 114.38 123.70 1mw4 h ARG 26 Ca -0.01 0.04 0.12 0.00 -1.11 0.00 0.00 59.98 59.03 1mw4 h ARG 26 Cb 0.92 0.15 -0.08 0.00 -0.01 0.00 0.00 29.97 30.95 1mw4 h ARG 26 CO 1.12 -0.43 0.61 1.05 -3.11 0.00 0.00 179.97 179.20 1mw4 h GLU 27 N -0.67 0.86 0.09 0.20 9.09 -2.01 -1.91 114.58 120.23 1mw4 h GLU 27 Ca 0.02 -0.05 -0.26 0.00 0.05 0.00 0.00 59.36 59.12 1mw4 h GLU 27 Cb 0.72 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.62 1mw4 h GLU 27 CO -0.34 0.57 -1.20 1.49 0.05 0.00 0.00 179.01 179.58 1mw4 h GLU 28 N 0.88 0.19 -0.30 1.06 4.81 -1.70 -3.29 114.58 116.24 1mw4 h GLU 28 Ca 0.47 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1mw4 h GLU 28 Cb 0.55 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1mw4 h GLU 28 CO -0.23 1.14 0.20 1.03 -0.73 0.00 0.00 179.01 180.42 1mw4 h SER 29 N 0.05 0.28 -0.03 1.04 0.87 0.34 -0.30 113.55 115.79 1mw4 h SER 29 Ca -0.11 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1mw4 h SER 29 Cb 1.92 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.81 1mw4 h SER 29 CO 0.18 0.20 0.03 1.56 -0.53 0.00 0.00 176.83 178.27 1mw4 h GLN 30 N 0.33 0.00 0.07 2.24 4.20 -1.52 0.70 115.11 121.13 1mw4 h GLN 30 Ca 0.12 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.56 1mw4 h GLN 30 Cb 0.07 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.87 1mw4 h GLN 30 CO -0.03 0.00 -1.10 -0.09 -0.67 0.00 0.00 178.83 176.95 1mw4 h ARG 31 N 0.00 0.62 0.36 1.46 9.65 -1.23 -0.74 114.38 124.50 1mw4 h ARG 31 Ca 0.02 -0.76 -0.02 0.00 -1.10 0.00 0.00 59.98 58.12 1mw4 h ARG 31 Cb 0.08 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1mw4 h ARG 31 CO -0.00 1.33 -0.17 -0.07 2.80 0.00 0.00 179.97 183.86 1mw4 h LEU 32 N 0.26 -0.40 0.00 3.80 4.07 -1.23 -3.21 115.31 118.59 1mw4 h LEU 32 Ca -0.16 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1mw4 h LEU 32 Cb 1.77 0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.62 1mw4 h LEU 32 CO 0.21 0.05 0.00 -0.38 -1.08 0.00 0.00 178.44 177.24 1mw4 n ILE 33 N -5.10 0.58 -0.67 1.22 -0.00 0.15 -2.53 119.36 113.01 1mw4 n ILE 33 Ca -0.07 0.15 -0.01 0.00 -0.00 0.00 0.00 62.75 62.82 1mw4 n ILE 33 Cb 0.23 -0.83 0.30 0.00 -0.00 0.00 0.00 39.64 39.34 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 0.35 3.10 0.00 7.39 0.00 -0.28 -3.39 105.19 112.35 1mw4 n GLY 34 Ca 0.07 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.35 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 0.18 1.70 -1.37 1.61 -0.00 -1.05 -4.94 117.38 113.50 1mw4 n GLN 35 Ca 0.30 -0.03 -0.29 0.00 -0.00 0.00 0.00 57.00 56.98 1mw4 n GLN 35 Cb 1.17 -1.25 0.19 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 -2.56 0.12 -0.00 2.61 -0.21 -1.22 -5.02 119.66 113.39 1mw4 s GLN 36 Ca 0.04 0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.52 1mw4 s GLN 36 Cb 0.11 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.38 1mw4 s GLN 36 CO 0.63 -2.85 0.78 0.41 -2.12 0.00 0.00 175.29 172.13 1mw4 n GLY 37 N -1.80 -1.06 1.96 3.09 0.00 -1.26 -5.11 105.19 101.01 1mw4 n GLY 37 Ca 0.10 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.00 0.00 -4.94 0.99 7.99 -1.26 -5.08 117.00 114.69 1mw4 n LEU 38 Ca 0.00 -0.75 -0.30 0.00 -0.01 0.00 0.00 56.01 54.95 1mw4 n LEU 38 Cb 0.61 -0.51 0.21 0.00 -0.11 0.00 0.00 43.42 43.62 1mw4 n LEU 38 CO 0.00 -0.98 0.90 0.68 -1.51 0.00 0.00 177.39 176.48 1mw4 s VAL 39 N -2.45 2.00 -0.34 4.08 -7.23 -1.26 -4.52 120.40 110.69 1mw4 s VAL 39 Ca 0.38 -0.01 -0.04 0.00 -1.81 0.00 0.00 61.98 60.51 1mw4 s VAL 39 Cb -0.01 -2.99 -0.08 0.00 0.56 0.00 0.00 36.38 33.85 1mw4 s VAL 39 CO 0.27 0.00 1.90 0.47 -0.31 0.00 0.00 175.10 177.43 1mw4 n ASP 40 N -3.86 3.09 0.00 4.85 9.92 -1.16 -2.95 116.55 126.44 1mw4 n ASP 40 Ca 0.17 -2.09 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 1mw4 n ASP 40 Cb 0.59 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 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 3.25 0.78 3.34 0.44 0.00 -1.19 -4.27 105.19 107.53 1mw4 n GLY 41 Ca 0.27 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.08 6.02 0.22 0.99 2.01 -1.15 -2.81 118.68 123.88 1mw4 s LEU 42 Ca 0.00 -1.89 0.04 0.00 0.01 0.00 0.00 54.13 52.29 1mw4 s LEU 42 Cb 0.00 -2.25 -0.05 0.00 0.01 0.00 0.00 46.19 43.90 1mw4 s LEU 42 CO 0.00 -0.89 -0.02 0.72 1.01 0.00 0.00 176.35 177.17 1mw4 s PHE 43 N 1.68 1.53 0.01 0.29 -0.71 -1.25 -0.05 117.98 119.47 1mw4 s PHE 43 Ca 0.10 -0.89 -0.00 0.00 -1.04 0.00 0.00 56.93 55.10 1mw4 s PHE 43 Cb -0.23 -0.87 -0.01 0.00 -1.21 0.00 0.00 43.02 40.70 1mw4 s PHE 43 CO 0.01 -0.01 -0.00 -1.17 -1.34 0.00 0.00 175.22 172.71 1mw4 s LEU 44 N -3.29 2.07 -0.86 -1.99 2.96 0.37 -4.37 118.68 113.58 1mw4 s LEU 44 Ca 0.27 -0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 53.81 1mw4 s LEU 44 Cb 0.05 0.09 0.22 0.00 0.50 0.00 0.00 46.19 47.05 1mw4 s LEU 44 CO 0.08 -0.15 0.81 -0.69 -1.32 0.00 0.00 176.35 175.07 1mw4 s VAL 45 N -0.72 5.62 0.39 1.68 1.01 -1.07 0.19 120.40 127.50 1mw4 s VAL 45 Ca -0.08 -2.52 0.06 0.00 0.00 0.00 0.00 61.98 59.44 1mw4 s VAL 45 Cb -0.05 -4.49 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1mw4 s VAL 45 CO -0.00 -1.06 0.02 0.00 0.00 0.00 0.00 175.10 174.06 1mw4 s ARG 46 N 0.14 1.88 0.00 2.72 1.04 -0.76 -2.77 118.95 121.20 1mw4 s ARG 46 Ca 0.20 -2.06 0.00 0.00 -1.04 0.00 0.00 55.73 52.83 1mw4 s ARG 46 Cb -0.10 -1.42 0.00 0.00 -2.04 0.00 0.00 34.95 31.39 1mw4 s ARG 46 CO -0.09 -0.09 0.00 -0.85 -0.04 0.00 0.00 175.30 174.23 1mw4 n GLU 47 N -0.90 0.00 -5.16 3.89 0.28 0.17 -1.47 120.64 117.45 1mw4 n GLU 47 Ca -0.04 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.63 1mw4 n GLU 47 Cb 0.67 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.37 1mw4 n GLU 47 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1mw4 s SER 48 N 0.26 3.22 -0.04 -1.84 0.15 -1.19 -3.04 113.70 111.22 1mw4 s SER 48 Ca 0.00 -0.53 0.19 0.00 0.70 0.00 0.00 55.95 56.31 1mw4 s SER 48 Cb 0.00 -1.44 0.60 0.00 -1.71 0.00 0.00 66.02 63.47 1mw4 s SER 48 CO 0.00 0.16 1.50 0.00 1.20 0.00 0.00 173.24 176.10 1mw4 n GLN 49 N 3.52 2.84 0.00 5.44 -0.00 -1.26 -3.86 117.38 124.06 1mw4 n GLN 49 Ca -0.19 -2.41 0.00 0.00 -0.00 0.00 0.00 57.00 54.40 1mw4 n GLN 49 Cb 0.53 -1.62 0.00 0.00 -0.00 0.00 0.00 30.24 29.15 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 1.25 0.00 -1.68 2.61 3.00 -1.26 -4.95 116.66 115.63 1mw4 n ARG 50 Ca 0.22 0.00 -0.66 0.00 -0.00 0.00 0.00 57.85 57.42 1mw4 n ARG 50 Cb 0.64 -0.01 -0.10 0.00 0.00 0.00 0.00 32.46 33.00 1mw4 n ARG 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1mw4 n ASN 51 N -1.28 1.12 -0.56 6.15 2.04 -1.26 -4.71 115.26 116.76 1mw4 n ASN 51 Ca 0.00 1.15 0.44 0.00 -0.44 0.00 0.00 54.58 55.73 1mw4 n ASN 51 Cb 0.00 -0.85 0.69 0.00 -2.53 0.00 0.00 39.78 37.09 1mw4 n ASN 51 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 1mw4 n PRO 52 N 3.77 -0.01 -3.56 -0.53 -0.02 -1.26 -1.09 135.00 132.30 1mw4 n PRO 52 Ca 0.30 1.06 -0.28 0.00 -2.02 0.00 0.00 63.50 62.56 1mw4 n PRO 52 Cb -0.05 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.06 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 -4.10 2.37 -3.37 -0.52 6.02 -1.26 -5.04 117.38 111.49 1mw4 n GLN 53 Ca 0.39 -4.62 -0.46 0.00 -0.01 0.00 0.00 57.00 52.30 1mw4 n GLN 53 Cb 1.67 -2.27 -0.04 0.00 1.02 0.00 0.00 30.24 30.62 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 -2.16 2.48 -0.14 1.08 0.00 -0.25 -4.56 107.32 103.77 1mw4 s GLY 54 Ca 0.35 -3.09 -0.04 0.00 0.00 0.00 0.00 44.72 41.95 1mw4 s GLY 54 CO -0.06 1.23 0.08 -1.36 0.00 0.00 0.00 173.10 172.99 1mw4 s PHE 55 N 0.56 0.17 0.18 1.90 0.40 -1.26 -3.18 117.98 116.75 1mw4 s PHE 55 Ca 0.14 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.31 1mw4 s PHE 55 Cb -0.17 -0.65 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 1mw4 s PHE 55 CO -0.05 -0.44 -0.05 0.54 0.70 0.00 0.00 175.22 175.92 1mw4 s VAL 56 N 2.14 1.06 -0.12 -0.44 0.11 -0.54 -3.62 120.40 118.99 1mw4 s VAL 56 Ca 0.03 -2.04 0.01 0.00 -2.93 0.00 0.00 61.98 57.05 1mw4 s VAL 56 Cb -0.15 -2.07 0.02 0.00 -1.53 0.00 0.00 36.38 32.65 1mw4 s VAL 56 CO -0.08 -0.56 -0.15 -0.22 -3.33 0.00 0.00 175.10 170.76 1mw4 s LEU 57 N -3.22 1.73 -0.29 2.54 0.20 -0.82 -1.82 118.68 117.01 1mw4 s LEU 57 Ca 0.22 -0.45 -0.12 0.00 0.69 0.00 0.00 54.13 54.46 1mw4 s LEU 57 Cb 0.04 -1.13 -0.04 0.00 -0.43 0.00 0.00 46.19 44.63 1mw4 s LEU 57 CO 0.04 0.00 0.24 -0.44 -0.29 0.00 0.00 176.35 175.90 1mw4 s SER 58 N 1.11 6.08 0.42 3.68 0.01 0.51 -0.42 113.70 125.08 1mw4 s SER 58 Ca -0.04 -0.02 0.08 0.00 1.31 0.00 0.00 55.95 57.28 1mw4 s SER 58 Cb -0.14 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1mw4 s SER 58 CO -0.04 -0.12 0.54 -0.76 0.41 0.00 0.00 173.24 173.28 1mw4 s LEU 59 N 1.83 3.62 -0.41 2.44 1.43 0.14 0.14 118.68 127.86 1mw4 s LEU 59 Ca 0.09 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1mw4 s LEU 59 Cb -0.16 -2.57 0.19 0.00 0.03 0.00 0.00 46.19 43.68 1mw4 s LEU 59 CO 0.11 -0.75 0.40 0.00 0.23 0.00 0.00 176.35 176.33 1mw4 s HIS 61 N -0.14 2.26 -0.50 0.00 5.04 0.68 -2.99 115.29 119.65 1mw4 s HIS 61 Ca 0.33 0.81 -0.02 0.00 -1.54 0.00 0.00 55.06 54.64 1mw4 s HIS 61 Cb 0.07 -3.42 0.31 0.00 0.04 0.00 0.00 32.58 29.57 1mw4 s HIS 61 CO -0.18 -2.57 2.09 1.47 -2.34 0.00 0.00 174.74 173.21 1mw4 n LEU 62 N -3.89 7.04 0.00 8.88 -0.00 -1.26 -3.28 117.00 124.48 1mw4 n LEU 62 Ca 0.07 -3.84 0.00 0.00 -0.00 0.00 0.00 56.01 52.24 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 0.56 1.39 0.00 0.00 -0.00 0.00 0.00 177.39 179.34 1mw4 n GLN 63 N -0.17 0.00 -0.71 1.47 6.02 -1.26 -5.04 117.38 117.68 1mw4 n GLN 63 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1mw4 n GLN 63 Cb 0.59 -0.18 0.00 0.00 1.02 0.00 0.00 30.24 31.67 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 -1.25 0.00 -3.75 -1.09 2.85 -1.21 -5.17 118.16 108.55 1mw4 n LYS 64 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 1mw4 n LYS 64 Cb 0.00 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.22 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 -2.50 -0.07 0.21 0.58 -7.23 -1.26 -0.23 120.40 109.90 1mw4 s VAL 65 Ca 0.00 0.25 0.05 0.00 -1.81 0.00 0.00 61.98 60.47 1mw4 s VAL 65 Cb 0.00 -0.11 -0.02 0.00 0.56 0.00 0.00 36.38 36.82 1mw4 s VAL 65 CO 0.00 0.10 0.18 2.29 -0.31 0.00 0.00 175.10 177.37 1mw4 n LYS 66 N 4.38 0.26 -4.38 4.82 0.00 -1.07 -4.74 118.16 117.43 1mw4 n LYS 66 Ca -0.24 -2.08 -0.19 0.00 -0.00 0.00 0.00 58.31 55.80 1mw4 n LYS 66 Cb 0.50 1.72 -0.10 0.00 -0.00 0.00 0.00 35.03 37.14 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 -2.88 1.77 -0.35 5.58 3.76 -1.26 0.23 115.29 122.14 1mw4 s HIS 67 Ca 0.25 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 1mw4 s HIS 67 Cb 0.01 -0.97 0.14 0.00 1.11 0.00 0.00 32.58 32.87 1mw4 s HIS 67 CO 0.18 0.21 0.22 0.71 -0.85 0.00 0.00 174.74 175.20 1mw4 s TYR 68 N -3.12 0.71 -0.19 1.40 1.51 0.44 -4.86 117.35 113.25 1mw4 s TYR 68 Ca 0.27 -1.64 -0.05 0.00 -1.01 0.00 0.00 57.07 54.64 1mw4 s TYR 68 Cb 0.03 -0.90 0.07 0.00 -0.11 0.00 0.00 41.96 41.05 1mw4 s TYR 68 CO 0.09 -0.83 0.11 -1.17 -1.11 0.00 0.00 175.55 172.64 1mw4 s LEU 69 N 1.03 0.32 0.00 -1.29 1.98 -1.24 -1.94 118.68 117.54 1mw4 s LEU 69 Ca 0.19 -0.65 0.00 0.00 -2.89 0.00 0.00 54.13 50.77 1mw4 s LEU 69 Cb -0.22 -0.19 0.00 0.00 0.66 0.00 0.00 46.19 46.44 1mw4 s LEU 69 CO -0.00 -0.36 0.00 -0.38 -1.89 0.00 0.00 176.35 173.72 1mw4 n ILE 70 N 5.28 0.00 -4.60 6.68 5.41 -1.24 -4.80 119.36 126.09 1mw4 n ILE 70 Ca -0.07 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.42 1mw4 n ILE 70 Cb 0.48 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.25 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 -2.39 1.69 0.00 1.39 1.43 -1.17 -4.89 118.68 114.74 1mw4 s LEU 71 Ca 0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1mw4 s LEU 71 Cb 0.00 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1mw4 s LEU 71 CO 0.00 0.04 0.00 -0.81 0.23 0.00 0.00 176.35 175.81 1mw4 n PRO 72 N 3.93 2.38 -2.82 1.29 -0.04 -1.26 -2.02 135.00 136.46 1mw4 n PRO 72 Ca -0.21 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.82 1mw4 n PRO 72 Cb 0.52 0.00 -0.04 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 -1.00 6.61 0.47 3.54 1.04 -1.25 -1.50 113.70 121.61 1mw4 s SER 73 Ca 0.00 0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.92 1mw4 s SER 73 Cb 0.00 -2.46 0.08 0.00 0.10 0.00 0.00 66.02 63.74 1mw4 s SER 73 CO 0.00 -0.92 0.65 -0.62 0.98 0.00 0.00 173.24 173.33 1mw4 n GLU 74 N 6.90 0.67 -0.34 4.02 4.71 -1.13 -4.95 120.64 130.52 1mw4 n GLU 74 Ca 0.07 -2.53 0.10 0.00 -0.01 0.00 0.00 57.16 54.78 1mw4 n GLU 74 Cb 0.48 -0.20 0.28 0.00 -1.01 0.00 0.00 31.44 30.99 1mw4 n GLU 74 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1mw4 n GLU 75 N -2.03 2.53 -0.00 3.49 0.00 -1.26 -3.37 120.64 120.00 1mw4 n GLU 75 Ca 0.13 -2.25 0.08 0.00 0.00 0.00 0.00 57.16 55.13 1mw4 n GLU 75 Cb 0.49 -1.52 -0.10 0.00 0.00 0.00 0.00 31.44 30.31 1mw4 n GLU 75 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1mw4 n GLU 76 N 1.27 1.22 0.00 5.31 4.07 -1.26 -5.04 120.64 126.20 1mw4 n GLU 76 Ca 0.21 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 1mw4 n GLU 76 Cb 0.55 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 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 1.42 0.23 0.00 8.31 0.00 -1.22 -5.17 105.19 108.76 1mw4 n GLY 77 Ca 0.02 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.85 1.61 5.12 -1.26 -4.51 116.66 115.77 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 4.33 -0.29 0.55 2.01 -0.80 -2.86 118.68 121.62 1mw4 s LEU 79 Ca 0.00 2.39 -0.22 0.00 0.01 0.00 0.00 54.13 56.31 1mw4 s LEU 79 Cb 0.00 -3.53 -0.01 0.00 0.01 0.00 0.00 46.19 42.66 1mw4 s LEU 79 CO 0.00 -1.03 0.72 -0.31 1.01 0.00 0.00 176.35 176.74 1mw4 s TYR 80 N 4.42 3.23 -0.10 0.29 1.51 -0.57 0.65 117.35 126.78 1mw4 s TYR 80 Ca 0.81 0.78 0.02 0.00 -1.01 0.00 0.00 57.07 57.67 1mw4 s TYR 80 Cb -0.37 -3.06 0.01 0.00 -0.11 0.00 0.00 41.96 38.43 1mw4 s TYR 80 CO 0.35 -0.47 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.10 1mw4 s PHE 81 N 2.76 1.98 -0.00 2.71 0.40 -1.26 -3.05 117.98 121.51 1mw4 s PHE 81 Ca 0.29 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1mw4 s PHE 81 Cb -0.15 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1mw4 s PHE 81 CO 0.11 -0.45 0.56 -1.13 0.70 0.00 0.00 175.22 175.00 1mw4 n SER 82 N 4.11 0.02 -2.08 1.36 3.41 -1.21 -1.86 113.62 117.36 1mw4 n SER 82 Ca -0.19 -1.12 -0.19 0.00 -0.26 0.00 0.00 58.87 57.11 1mw4 n SER 82 Cb 0.51 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.18 4.33 0.00 -0.21 -4.49 117.12 116.56 1mw4 n MET 83 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.65 1mw4 n MET 83 Cb 0.52 -0.50 -0.04 0.00 0.00 0.00 0.00 33.22 33.20 1mw4 n MET 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1mw4 n ASP 84 N 1.37 -0.47 -1.23 3.17 -0.08 -1.26 0.22 116.55 118.28 1mw4 n ASP 84 Ca 0.03 0.83 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 1mw4 n ASP 84 Cb 0.25 -0.12 0.24 0.00 2.34 0.00 0.00 41.12 43.82 1mw4 n ASP 84 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1mw4 n ASP 85 N -4.41 3.56 -3.83 1.67 8.00 -1.26 -4.97 116.55 115.30 1mw4 n ASP 85 Ca 0.01 -3.34 -0.13 0.00 0.71 0.00 0.00 54.79 52.04 1mw4 n ASP 85 Cb 0.11 -0.62 -0.14 0.00 -0.02 0.00 0.00 41.12 40.45 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 -1.97 0.02 -0.40 0.44 0.00 0.13 -4.81 107.32 100.73 1mw4 s GLY 86 Ca 0.46 0.14 0.06 0.00 0.00 0.00 0.00 44.72 45.37 1mw4 s GLY 86 CO 0.07 0.25 0.42 0.61 0.00 0.00 0.00 173.10 174.45 1mw4 n GLN 87 N 3.42 0.40 -0.40 2.90 0.00 -1.26 -1.04 117.38 121.40 1mw4 n GLN 87 Ca -0.17 -3.17 0.08 0.00 0.00 0.00 0.00 57.00 53.75 1mw4 n GLN 87 Cb 0.57 -1.48 0.24 0.00 0.00 0.00 0.00 30.24 29.57 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 2.26 2.14 -0.57 -0.39 -2.24 -0.78 -4.94 114.28 109.76 1mw4 n THR 88 Ca 0.26 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.23 1mw4 n THR 88 Cb 0.50 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.46 0.00 -1.87 -0.78 1.85 -0.93 -4.53 116.66 109.94 1mw4 n ARG 89 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 1mw4 n ARG 89 Cb 0.83 -0.96 0.00 0.00 -1.05 0.00 0.00 32.46 31.28 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 2.59 -0.07 -2.41 2.89 1.16 0.21 -4.11 117.46 117.71 1mw4 n PHE 90 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.21 1mw4 n PHE 90 Cb 0.05 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.89 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 -2.05 3.83 0.54 1.97 -1.32 -1.26 -1.90 115.64 115.46 1mw4 s THR 91 Ca 0.00 -0.94 0.33 0.00 -1.21 0.00 0.00 61.69 59.86 1mw4 s THR 91 Cb 0.00 -4.83 0.50 0.00 -1.51 0.00 0.00 72.50 66.66 1mw4 s THR 91 CO 0.00 -1.67 1.87 -2.24 -2.21 0.00 0.00 174.62 170.37 1mw4 h ASP 92 N 9.62 0.01 0.00 8.08 2.03 -1.88 -2.99 116.42 131.29 1mw4 h ASP 92 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1mw4 h ASP 92 Cb 0.97 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1mw4 h ASP 92 CO 1.37 0.00 0.00 -0.11 -1.03 0.00 0.00 179.24 179.48 1mw4 n LEU 93 N -4.25 0.00 -0.32 0.15 0.00 -1.26 -0.63 117.00 110.68 1mw4 n LEU 93 Ca 0.20 0.80 0.20 0.00 0.00 0.00 0.00 56.01 57.21 1mw4 n LEU 93 Cb 1.03 -0.30 0.41 0.00 0.00 0.00 0.00 43.42 44.57 1mw4 n LEU 93 CO 0.39 -0.30 1.05 0.25 0.00 0.00 0.00 177.39 178.79 1mw4 h LEU 94 N 0.00 0.32 0.62 -1.96 7.12 -1.95 -1.03 115.31 118.44 1mw4 h LEU 94 Ca 0.00 0.20 -0.02 0.00 0.13 0.00 0.00 57.88 58.18 1mw4 h LEU 94 Cb 0.00 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 1mw4 h LEU 94 CO 0.00 -0.15 -0.50 -0.61 -0.13 0.00 0.00 178.44 177.05 1mw4 h GLN 95 N 0.28 -1.05 -0.97 1.25 4.15 -1.26 -2.77 115.11 114.73 1mw4 h GLN 95 Ca 0.67 0.07 0.21 0.00 0.77 0.00 0.00 58.65 60.38 1mw4 h GLN 95 Cb 1.48 0.24 -0.18 0.00 0.21 0.00 0.00 27.48 29.23 1mw4 h GLN 95 CO -0.63 -0.70 -0.17 1.25 -1.93 0.00 0.00 178.83 176.65 1mw4 h LEU 96 N -1.09 -0.78 0.00 -2.39 6.46 0.51 0.99 115.31 119.01 1mw4 h LEU 96 Ca -0.08 0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1mw4 h LEU 96 Cb 0.92 0.57 0.00 0.00 -0.73 0.00 0.00 40.66 41.41 1mw4 h LEU 96 CO 0.00 -0.33 0.00 0.52 -0.62 0.00 0.00 178.44 178.02 1mw4 n VAL 97 N -5.58 0.00 -0.04 1.05 0.31 -1.06 -1.84 118.33 111.17 1mw4 n VAL 97 Ca 0.17 0.93 -0.13 0.00 -0.01 0.00 0.00 64.34 65.31 1mw4 n VAL 97 Cb 0.56 -1.84 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 1mw4 n VAL 97 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1mw4 h GLU 98 N 0.00 0.20 0.00 5.55 4.81 -1.36 -3.05 114.58 120.73 1mw4 h GLU 98 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1mw4 h GLU 98 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1mw4 h GLU 98 CO 0.00 0.56 0.00 1.19 -0.73 0.00 0.00 179.01 180.03 1mw4 n PHE 99 N -4.74 0.00 -0.36 0.92 3.01 0.34 -3.11 117.46 113.52 1mw4 n PHE 99 Ca -0.07 0.00 0.27 0.00 1.01 0.00 0.00 57.45 58.67 1mw4 n PHE 99 Cb 0.27 -0.43 0.54 0.00 -0.01 0.00 0.00 39.48 39.84 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 0.71 0.41 1.38 2.07 -1.21 0.62 115.15 119.12 1mw4 h HIS 100 Ca 0.00 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.53 1mw4 h HIS 100 Cb 0.11 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 29.91 1mw4 h HIS 100 CO 0.00 -0.09 -0.20 -0.56 -3.07 0.00 0.00 177.93 174.01 1mw4 h GLN 101 N 0.29 -0.53 -1.97 5.12 3.07 -1.80 -3.14 115.11 116.15 1mw4 h GLN 101 Ca 0.71 0.04 -0.54 0.00 0.09 0.00 0.00 58.65 58.95 1mw4 h GLN 101 Cb 1.88 0.12 -0.39 0.00 0.08 0.00 0.00 27.48 29.17 1mw4 h GLN 101 CO -0.43 -0.28 -1.12 1.28 0.09 0.00 0.00 178.83 178.37 1mw4 n LEU 102 N -5.27 0.26 0.00 0.06 7.99 0.12 -4.61 117.00 115.54 1mw4 n LEU 102 Ca -0.11 -4.73 -0.06 0.00 -0.01 0.00 0.00 56.01 51.10 1mw4 n LEU 102 Cb 0.26 0.66 0.03 0.00 -0.11 0.00 0.00 43.42 44.26 1mw4 n LEU 102 CO 0.34 2.11 0.14 -0.46 -1.51 0.00 0.00 177.39 178.01 1mw4 n ASN 103 N 1.18 0.51 -3.73 -1.43 2.04 0.19 -4.93 115.26 109.09 1mw4 n ASN 103 Ca 0.22 -1.39 -0.42 0.00 -0.44 0.00 0.00 54.58 52.55 1mw4 n ASN 103 Cb 0.56 -0.16 0.01 0.00 -2.53 0.00 0.00 39.78 37.67 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 -1.46 5.04 0.00 -3.83 3.00 -1.26 -4.44 116.66 113.71 1mw4 n ARG 104 Ca 0.05 -4.47 0.00 0.00 -0.01 0.00 0.00 57.85 53.42 1mw4 n ARG 104 Cb 0.17 -2.52 0.00 0.00 0.00 0.00 0.00 32.46 30.12 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 0.61 -0.89 3.93 -0.13 0.00 -1.04 -4.81 105.19 102.86 1mw4 n GLY 105 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 5.02 0.00 -0.61 -5.25 -1.25 -5.04 121.20 114.07 1mw4 s ILE 106 Ca 0.00 -0.17 0.00 0.00 -0.99 0.00 0.00 60.65 59.49 1mw4 s ILE 106 Cb 0.00 -3.85 0.00 0.00 2.95 0.00 0.00 42.46 41.56 1mw4 s ILE 106 CO 0.00 -0.65 0.32 0.18 -1.79 0.00 0.00 174.94 173.01 1mw4 n LEU 107 N -1.88 0.00 0.00 0.37 4.32 -1.26 -4.59 117.00 113.95 1mw4 n LEU 107 Ca -0.03 0.32 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1mw4 n LEU 107 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1mw4 n LEU 107 CO 0.50 0.00 0.00 -0.81 -1.22 0.00 0.00 177.39 175.86 1mw4 n PRO 108 N -0.76 0.00 0.00 3.23 -0.04 -1.26 -4.86 135.00 131.31 1mw4 n PRO 108 Ca 0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1mw4 n PRO 108 Cb 0.00 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.60 0.00 0.00 -0.00 -1.26 -4.71 117.00 110.43 1mw4 n LEU 110 Ca 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 1mw4 n LEU 110 Cb 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 1mw4 n LEU 110 CO 0.00 -1.42 -0.43 0.00 -0.00 0.00 0.00 177.39 175.54 1mw4 n LEU 111 N 0.95 0.00 -4.73 -1.96 -0.00 -1.26 -3.97 117.00 106.03 1mw4 n LEU 111 Ca 0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.77 1mw4 n LEU 111 Cb 0.12 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.64 1mw4 n LEU 111 CO 0.27 0.00 0.74 -0.13 -0.00 0.00 0.00 177.39 178.27 1mw4 s ARG 112 N -1.76 2.00 0.29 1.47 0.52 -1.26 -2.49 118.95 117.72 1mw4 s ARG 112 Ca 0.00 1.53 -0.08 0.00 -0.52 0.00 0.00 55.73 56.66 1mw4 s ARG 112 Cb 0.00 -1.84 -0.00 0.00 0.52 0.00 0.00 34.95 33.63 1mw4 s ARG 112 CO 0.00 -1.89 0.47 -3.38 0.02 0.00 0.00 175.30 170.52 1mw4 s HIS 113 N -2.38 0.66 0.00 -0.53 -3.43 -1.19 -3.49 115.29 104.92 1mw4 s HIS 113 Ca 0.69 -0.98 0.00 0.00 -0.80 0.00 0.00 55.06 53.96 1mw4 s HIS 113 Cb -0.24 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 30.99 1mw4 s HIS 113 CO 0.50 -1.05 0.00 0.00 -2.00 0.00 0.00 174.74 172.18 1mw4 s THR 116 N -1.75 3.82 -0.89 0.00 2.01 -1.26 -3.90 115.64 113.67 1mw4 s THR 116 Ca 0.00 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.12 1mw4 s THR 116 Cb 0.00 -2.74 0.26 0.00 0.01 0.00 0.00 72.50 70.04 1mw4 s THR 116 CO 0.00 0.27 1.01 -1.14 -0.69 0.00 0.00 174.62 174.07 1mw4 n ARG 117 N 1.11 3.24 0.02 4.92 3.00 -1.26 -4.70 116.66 122.99 1mw4 n ARG 117 Ca -0.14 -4.57 0.00 0.00 -0.00 0.00 0.00 57.85 53.15 1mw4 n ARG 117 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 32.46 30.58 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 1.53 0.00 -0.43 5.15 0.24 -1.26 -4.93 118.33 118.63 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 0.37 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 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 -2.62 0.00 0.00 2.33 0.00 -1.26 -5.24 120.51 113.71 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