#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 -0.04 -2.91 1.61 0.87 -2.09 -3.43 113.55 107.56 1mw4 h SER 2 Ca 0.00 -0.50 -0.56 0.00 -1.23 0.00 0.00 61.79 59.50 1mw4 h SER 2 Cb 0.00 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1mw4 h SER 2 CO 0.00 0.49 0.87 -2.16 -0.53 0.00 0.00 176.83 175.51 1mw4 s PRO 3 N -4.01 4.26 0.35 2.24 0.04 -1.26 -4.99 135.00 131.62 1mw4 s PRO 3 Ca -0.16 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 1mw4 s PRO 3 Cb 0.01 -3.72 0.01 0.00 0.04 0.00 0.00 34.50 30.84 1mw4 s PRO 3 CO 0.65 -0.65 0.53 0.00 0.04 0.00 0.00 177.00 177.57 1mw4 s ALA 4 N 3.13 0.53 -0.13 8.56 0.00 -1.26 -5.18 121.76 127.40 1mw4 s ALA 4 Ca 0.59 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 1mw4 s ALA 4 Cb -0.25 1.07 0.03 0.00 0.00 0.00 0.00 23.12 23.98 1mw4 s ALA 4 CO 0.20 -0.82 0.36 -1.54 0.00 0.00 0.00 175.76 173.95 1mw4 s SER 5 N -3.21 -0.37 0.00 0.00 1.04 -1.26 -5.02 113.70 104.87 1mw4 s SER 5 Ca 0.28 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1mw4 s SER 5 Cb -0.01 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1mw4 s SER 5 CO 0.19 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1mw4 n GLY 6 N 2.92 -1.87 3.64 7.32 0.00 -1.26 -5.15 105.19 110.78 1mw4 n GLY 6 Ca -0.13 0.64 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 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 2.01 0.27 2.61 2.01 -1.26 -5.04 115.64 116.23 1mw4 s THR 7 Ca 0.00 0.00 0.11 0.00 0.31 0.00 0.00 61.69 62.12 1mw4 s THR 7 Cb 0.00 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1mw4 s THR 7 CO 0.00 -0.01 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.29 1mw4 s SER 8 N -2.61 3.41 -0.17 3.53 0.01 -1.26 -5.14 113.70 111.46 1mw4 s SER 8 Ca 0.67 -1.03 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1mw4 s SER 8 Cb -0.23 -0.27 0.08 0.00 0.21 0.00 0.00 66.02 65.80 1mw4 s SER 8 CO 0.59 0.00 0.36 -0.22 0.41 0.00 0.00 173.24 174.38 1mw4 s LEU 9 N -3.47 -0.47 -0.07 2.44 1.98 -1.26 -5.15 118.68 112.67 1mw4 s LEU 9 Ca 0.29 0.83 -0.07 0.00 -2.89 0.00 0.00 54.13 52.29 1mw4 s LEU 9 Cb -0.04 1.10 -0.04 0.00 0.66 0.00 0.00 46.19 47.86 1mw4 s LEU 9 CO 0.14 -0.23 0.19 -0.55 -1.89 0.00 0.00 176.35 174.00 1mw4 s SER 10 N 2.45 6.44 0.05 3.68 0.15 -1.26 -4.86 113.70 120.36 1mw4 s SER 10 Ca -0.01 0.51 -0.12 0.00 0.70 0.00 0.00 55.95 57.03 1mw4 s SER 10 Cb -0.12 -2.08 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 1mw4 s SER 10 CO -0.11 0.36 0.26 0.00 1.20 0.00 0.00 173.24 174.95 1mw4 s ALA 11 N -1.12 -0.54 -0.41 5.45 0.00 -1.26 -5.11 121.76 118.77 1mw4 s ALA 11 Ca 0.19 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.06 1mw4 s ALA 11 Cb -0.13 0.35 0.24 0.00 0.00 0.00 0.00 23.12 23.58 1mw4 s ALA 11 CO 0.09 -0.42 0.55 0.00 0.00 0.00 0.00 175.76 175.97 1mw4 n ALA 12 N 0.48 1.87 0.26 0.00 0.00 -1.26 -4.94 120.51 116.92 1mw4 n ALA 12 Ca -0.18 -3.03 0.12 0.00 0.00 0.00 0.00 53.44 50.35 1mw4 n ALA 12 Cb 0.60 -0.89 0.19 0.00 0.00 0.00 0.00 19.45 19.35 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 2.58 0.00 -2.77 0.00 2.10 -2.00 -3.44 117.51 113.98 1mw4 h ILE 13 Ca 0.07 -0.94 -0.56 0.00 1.08 0.00 0.00 64.86 64.50 1mw4 h ILE 13 Cb 0.91 1.94 -0.03 0.00 -1.09 0.00 0.00 36.82 38.55 1mw4 h ILE 13 CO 0.42 0.00 1.09 -1.00 -1.08 0.00 0.00 178.15 177.58 1mw4 s HIS 14 N -3.20 2.18 0.00 2.19 3.76 -1.26 -4.80 115.29 114.16 1mw4 s HIS 14 Ca 0.07 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 1mw4 s HIS 14 Cb 0.06 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.83 1mw4 s HIS 14 CO 0.66 -2.92 0.52 2.89 -0.85 0.00 0.00 174.74 175.04 1mw4 n ARG 15 N 7.45 0.58 0.00 1.40 1.85 -1.26 -5.02 116.66 121.66 1mw4 n ARG 15 Ca 0.18 -0.63 0.00 0.00 -1.00 0.00 0.00 57.85 56.40 1mw4 n ARG 15 Cb 0.45 -0.65 0.00 0.00 -1.05 0.00 0.00 32.46 31.21 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 -0.11 0.00 -2.01 8.89 -2.24 -1.26 -5.07 114.28 112.48 1mw4 n THR 16 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1mw4 n THR 16 Cb 0.36 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.00 -1.83 -0.78 -0.00 -1.26 -5.13 117.38 108.37 1mw4 n GLN 17 Ca 0.00 -0.52 -0.30 0.00 -0.00 0.00 0.00 57.00 56.18 1mw4 n GLN 17 Cb 0.00 -0.21 0.19 0.00 -0.00 0.00 0.00 30.24 30.21 1mw4 n GLN 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1mw4 s LEU 18 N 0.00 2.48 -0.43 2.61 2.01 -1.26 -5.04 118.68 119.05 1mw4 s LEU 18 Ca 0.01 0.34 0.10 0.00 0.01 0.00 0.00 54.13 54.59 1mw4 s LEU 18 Cb 0.01 -2.38 0.37 0.00 0.01 0.00 0.00 46.19 44.20 1mw4 s LEU 18 CO -0.00 -2.84 0.86 0.79 1.01 0.00 0.00 176.35 176.17 1mw4 n TRP 19 N -3.85 1.80 -4.05 0.29 8.01 -1.26 -5.00 117.44 113.39 1mw4 n TRP 19 Ca 0.14 -3.66 -0.33 0.00 -1.31 0.00 0.00 57.50 52.34 1mw4 n TRP 19 Cb 0.59 -0.40 -0.15 0.00 -2.01 0.00 0.00 31.31 29.34 1mw4 n TRP 19 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.69 176.80 1mw4 s PHE 20 N -2.95 2.96 0.05 -5.99 5.36 -1.24 -2.26 117.98 113.91 1mw4 s PHE 20 Ca 0.42 -1.68 -0.01 0.00 -0.96 0.00 0.00 56.93 54.70 1mw4 s PHE 20 Cb 0.35 -1.98 -0.04 0.00 -0.34 0.00 0.00 43.02 41.02 1mw4 s PHE 20 CO -0.09 -0.78 -0.02 -1.58 -1.46 0.00 0.00 175.22 171.29 1mw4 s HIS 21 N 1.28 0.46 0.00 10.12 5.65 -1.15 -4.65 115.29 127.00 1mw4 s HIS 21 Ca 0.01 -0.95 0.00 0.00 0.25 0.00 0.00 55.06 54.37 1mw4 s HIS 21 Cb -0.15 -0.34 0.00 0.00 -1.18 0.00 0.00 32.58 30.90 1mw4 s HIS 21 CO -0.08 -0.35 0.00 0.41 -0.65 0.00 0.00 174.74 174.07 1mw4 n GLY 22 N 0.39 0.17 3.00 1.59 0.00 -1.26 0.19 105.19 109.26 1mw4 n GLY 22 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.37 1.61 0.63 -1.22 -3.13 116.66 111.18 1mw4 n ARG 23 Ca 0.00 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.69 1mw4 n ARG 23 Cb 0.00 -1.04 -0.09 0.00 0.45 0.00 0.00 32.46 31.78 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 3.26 -0.01 -0.94 5.15 1.01 -1.14 -4.95 121.20 123.58 1mw4 s ILE 24 Ca 1.14 -1.71 -0.23 0.00 0.00 0.00 0.00 60.65 59.85 1mw4 s ILE 24 Cb -0.88 -0.96 -0.24 0.00 0.01 0.00 0.00 42.46 40.40 1mw4 s ILE 24 CO 0.46 -0.89 2.48 -1.20 0.00 0.00 0.00 174.94 175.79 1mw4 n SER 25 N 3.72 -0.02 -0.30 3.58 7.64 -1.26 -4.75 113.62 122.23 1mw4 n SER 25 Ca 0.17 -0.22 0.18 0.00 1.01 0.00 0.00 58.87 60.01 1mw4 n SER 25 Cb 0.43 -0.90 0.45 0.00 -1.01 0.00 0.00 64.21 63.18 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 12.41 0.51 0.23 1.43 -0.00 -1.96 1.10 114.38 128.10 1mw4 h ARG 26 Ca -0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.91 1mw4 h ARG 26 Cb 1.23 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.97 31.08 1mw4 h ARG 26 CO 1.43 0.34 -0.13 1.05 -0.00 0.00 0.00 179.97 182.65 1mw4 h GLU 27 N 0.52 -0.34 0.00 0.08 4.11 -2.03 -2.49 114.58 114.44 1mw4 h GLU 27 Ca 0.54 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1mw4 h GLU 27 Cb 1.16 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1mw4 h GLU 27 CO -0.27 -0.22 -0.05 1.49 0.07 0.00 0.00 179.01 180.03 1mw4 h GLU 28 N -0.35 0.00 -0.19 1.06 4.81 -1.64 -3.24 114.58 115.03 1mw4 h GLU 28 Ca -0.02 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1mw4 h GLU 28 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1mw4 h GLU 28 CO 0.03 0.00 -0.17 1.03 -0.73 0.00 0.00 179.01 179.17 1mw4 h SER 29 N 0.00 0.32 -0.29 1.04 0.87 0.16 -2.15 113.55 113.51 1mw4 h SER 29 Ca 0.00 -0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.56 1mw4 h SER 29 Cb 0.88 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1mw4 h SER 29 CO 0.00 0.51 0.21 1.56 -0.53 0.00 0.00 176.83 178.58 1mw4 h GLN 30 N 0.31 0.00 -0.04 2.24 1.08 -1.49 0.46 115.11 117.66 1mw4 h GLN 30 Ca 0.06 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.12 1mw4 h GLN 30 Cb 0.49 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1mw4 h GLN 30 CO 0.03 0.00 -0.51 -0.09 -0.95 0.00 0.00 178.83 177.31 1mw4 h ARG 31 N 0.00 0.42 0.25 1.46 9.65 -1.60 -0.44 114.38 124.12 1mw4 h ARG 31 Ca 0.14 -0.40 -0.01 0.00 -1.10 0.00 0.00 59.98 58.61 1mw4 h ARG 31 Cb 0.55 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1mw4 h ARG 31 CO -0.00 1.05 -0.12 -0.07 2.80 0.00 0.00 179.97 183.63 1mw4 h LEU 32 N -0.07 -0.28 0.00 3.80 4.07 -1.23 -3.26 115.31 118.34 1mw4 h LEU 32 Ca -0.05 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1mw4 h LEU 32 Cb 1.20 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1mw4 h LEU 32 CO 0.10 0.21 0.00 -0.38 -1.08 0.00 0.00 178.44 177.29 1mw4 n ILE 33 N -4.99 0.29 -0.62 1.22 -0.00 0.15 -2.58 119.36 112.84 1mw4 n ILE 33 Ca -0.05 0.07 0.02 0.00 -0.00 0.00 0.00 62.75 62.78 1mw4 n ILE 33 Cb 0.18 -0.76 0.31 0.00 -0.00 0.00 0.00 39.64 39.37 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 0.32 2.96 0.03 7.39 0.00 -0.17 -3.44 105.19 112.27 1mw4 n GLY 34 Ca 0.11 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 0.29 0.35 -2.58 1.61 10.64 -1.06 -4.85 117.38 121.78 1mw4 n GLN 35 Ca 0.27 -0.04 -0.43 0.00 -1.83 0.00 0.00 57.00 54.97 1mw4 n GLN 35 Cb 1.11 -1.58 -0.02 0.00 -0.86 0.00 0.00 30.24 28.89 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 -3.25 4.06 -0.26 2.61 1.11 -1.22 -4.90 119.66 117.81 1mw4 s GLN 36 Ca 0.01 1.17 0.13 0.00 0.01 0.00 0.00 55.36 56.68 1mw4 s GLN 36 Cb 0.14 -3.76 0.81 0.00 -1.01 0.00 0.00 33.01 29.19 1mw4 s GLN 36 CO 0.84 -0.91 1.77 0.41 0.01 0.00 0.00 175.29 177.41 1mw4 n GLY 37 N 3.90 3.13 2.81 3.09 0.00 -1.26 -4.82 105.19 112.03 1mw4 n GLY 37 Ca 0.13 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 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 0.47 0.00 -4.68 0.99 7.99 -1.26 -4.88 117.00 115.63 1mw4 n LEU 38 Ca 0.31 -1.06 -0.29 0.00 -0.01 0.00 0.00 56.01 54.95 1mw4 n LEU 38 Cb 1.25 -0.74 0.19 0.00 -0.11 0.00 0.00 43.42 44.01 1mw4 n LEU 38 CO 0.35 -1.19 0.65 0.68 -1.51 0.00 0.00 177.39 176.38 1mw4 s VAL 39 N -3.11 1.87 -0.28 4.08 -7.23 -1.26 -3.45 120.40 111.02 1mw4 s VAL 39 Ca 0.55 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.69 1mw4 s VAL 39 Cb -0.01 -2.55 -0.07 0.00 0.56 0.00 0.00 36.38 34.31 1mw4 s VAL 39 CO 0.38 0.00 1.66 0.47 -0.31 0.00 0.00 175.10 177.30 1mw4 n ASP 40 N -4.30 2.48 0.00 4.85 8.00 -1.17 -2.96 116.55 123.44 1mw4 n ASP 40 Ca 0.08 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.56 1mw4 n ASP 40 Cb 0.58 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 3.31 0.77 3.34 0.44 0.00 -1.19 -3.99 105.19 107.87 1mw4 n GLY 41 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.30 5.93 0.04 0.99 2.01 -1.16 -2.34 118.68 123.85 1mw4 s LEU 42 Ca 0.00 -1.77 0.04 0.00 0.01 0.00 0.00 54.13 52.41 1mw4 s LEU 42 Cb 0.00 -2.25 -0.02 0.00 0.01 0.00 0.00 46.19 43.93 1mw4 s LEU 42 CO 0.00 -0.93 -0.11 0.72 1.01 0.00 0.00 176.35 177.04 1mw4 s PHE 43 N 1.87 0.95 0.06 0.29 -0.71 -1.21 0.10 117.98 119.34 1mw4 s PHE 43 Ca 0.09 -0.38 0.07 0.00 -1.04 0.00 0.00 56.93 55.67 1mw4 s PHE 43 Cb -0.25 -0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 40.97 1mw4 s PHE 43 CO 0.02 -0.00 -0.20 -1.17 -1.34 0.00 0.00 175.22 172.53 1mw4 s LEU 44 N -1.24 2.22 -0.72 -1.99 0.20 0.14 -4.56 118.68 112.74 1mw4 s LEU 44 Ca -0.03 -0.58 -0.15 0.00 0.69 0.00 0.00 54.13 54.07 1mw4 s LEU 44 Cb -0.08 -0.91 0.18 0.00 -0.43 0.00 0.00 46.19 44.95 1mw4 s LEU 44 CO 0.01 0.11 0.68 -0.69 -0.29 0.00 0.00 176.35 176.17 1mw4 s VAL 45 N -0.94 5.41 0.39 1.68 1.01 -0.96 0.13 120.40 127.13 1mw4 s VAL 45 Ca 0.07 -2.04 0.06 0.00 0.00 0.00 0.00 61.98 60.06 1mw4 s VAL 45 Cb -0.09 -4.43 -0.07 0.00 0.00 0.00 0.00 36.38 31.79 1mw4 s VAL 45 CO 0.03 -0.99 0.03 0.00 0.00 0.00 0.00 175.10 174.16 1mw4 s ARG 46 N 0.85 1.87 0.00 2.72 3.03 -0.70 -2.95 118.95 123.78 1mw4 s ARG 46 Ca 0.13 -2.06 0.00 0.00 2.03 0.00 0.00 55.73 55.82 1mw4 s ARG 46 Cb -0.18 -1.38 0.00 0.00 -1.03 0.00 0.00 34.95 32.37 1mw4 s ARG 46 CO -0.04 -0.11 0.00 -0.85 -1.13 0.00 0.00 175.30 173.16 1mw4 n GLU 47 N -0.89 0.00 -4.32 3.89 0.28 0.49 -1.46 120.64 118.63 1mw4 n GLU 47 Ca -0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.77 1mw4 n GLU 47 Cb 0.67 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.40 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 1.06 1.35 -0.06 -1.84 1.04 0.87 -2.87 113.70 113.25 1mw4 s SER 48 Ca 0.00 -0.37 0.19 0.00 0.48 0.00 0.00 55.95 56.24 1mw4 s SER 48 Cb 0.00 -0.09 0.64 0.00 0.10 0.00 0.00 66.02 66.67 1mw4 s SER 48 CO 0.00 0.02 1.54 0.00 0.98 0.00 0.00 173.24 175.78 1mw4 n GLN 49 N 2.15 3.10 -0.12 4.02 -0.00 -1.26 -4.11 117.38 121.15 1mw4 n GLN 49 Ca -0.17 -2.57 -0.25 0.00 -0.00 0.00 0.00 57.00 54.02 1mw4 n GLN 49 Cb 0.55 -1.70 -0.09 0.00 -0.00 0.00 0.00 30.24 29.00 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 1.26 0.53 -2.73 2.61 3.00 -1.26 -4.93 116.66 115.14 1mw4 n ARG 50 Ca 0.23 0.21 -0.42 0.00 -0.00 0.00 0.00 57.85 57.88 1mw4 n ARG 50 Cb 0.72 -1.39 -0.03 0.00 0.00 0.00 0.00 32.46 31.76 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 -7.04 7.20 0.22 6.15 0.02 -1.26 -4.94 114.94 115.28 1mw4 s ASN 51 Ca -0.34 1.47 -0.19 0.00 -1.02 0.00 0.00 52.86 52.78 1mw4 s ASN 51 Cb 0.12 -2.54 0.20 0.00 0.02 0.00 0.00 41.25 39.06 1mw4 s ASN 51 CO 0.45 -0.43 1.56 -0.65 0.02 0.00 0.00 177.10 178.05 1mw4 h PRO 52 N 7.11 -0.03 -2.44 -0.60 0.11 -1.91 -1.13 132.00 133.11 1mw4 h PRO 52 Ca -0.31 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.12 1mw4 h PRO 52 Cb 1.15 0.01 -0.37 0.00 0.11 0.00 0.00 31.00 31.90 1mw4 h PRO 52 CO 0.85 -0.02 -0.05 1.04 -0.21 0.00 0.00 178.00 179.61 1mw4 n GLN 53 N -5.45 3.42 -2.78 1.05 6.02 -1.26 -4.95 117.38 113.44 1mw4 n GLN 53 Ca 0.09 -4.66 -0.38 0.00 -0.01 0.00 0.00 57.00 52.03 1mw4 n GLN 53 Cb 0.39 -2.35 0.00 0.00 1.02 0.00 0.00 30.24 29.30 1mw4 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mw4 n GLY 54 N 0.83 5.86 3.60 1.08 0.00 -0.43 -4.53 105.19 111.60 1mw4 n GLY 54 Ca 0.30 -2.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.30 1mw4 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mw4 s PHE 55 N -3.89 3.24 0.23 1.61 0.40 -1.26 -0.09 117.98 118.21 1mw4 s PHE 55 Ca 0.40 0.25 0.04 0.00 -0.60 0.00 0.00 56.93 57.02 1mw4 s PHE 55 Cb 0.18 -2.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 1mw4 s PHE 55 CO -0.09 -0.18 -0.03 0.54 0.70 0.00 0.00 175.22 176.16 1mw4 s VAL 56 N 1.85 1.18 -0.11 -0.44 0.11 -0.54 -3.57 120.40 118.88 1mw4 s VAL 56 Ca 0.10 -2.06 0.00 0.00 -2.93 0.00 0.00 61.98 57.10 1mw4 s VAL 56 Cb -0.16 -2.28 0.02 0.00 -1.53 0.00 0.00 36.38 32.43 1mw4 s VAL 56 CO 0.10 -0.39 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.17 1mw4 s LEU 57 N -3.31 1.35 -0.21 2.54 0.20 -0.31 -1.72 118.68 117.23 1mw4 s LEU 57 Ca 0.27 -0.33 -0.11 0.00 0.69 0.00 0.00 54.13 54.65 1mw4 s LEU 57 Cb 0.05 -0.89 -0.05 0.00 -0.43 0.00 0.00 46.19 44.87 1mw4 s LEU 57 CO 0.08 -0.08 0.19 -0.44 -0.29 0.00 0.00 176.35 175.81 1mw4 s SER 58 N 1.46 6.24 0.41 3.68 0.01 0.35 0.15 113.70 126.00 1mw4 s SER 58 Ca 0.01 0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.61 1mw4 s SER 58 Cb -0.13 -2.12 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1mw4 s SER 58 CO -0.06 0.11 0.56 -0.76 0.41 0.00 0.00 173.24 173.50 1mw4 s LEU 59 N 0.66 3.70 -0.38 2.44 1.43 -0.71 0.28 118.68 126.10 1mw4 s LEU 59 Ca 0.10 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1mw4 s LEU 59 Cb -0.12 -2.68 0.15 0.00 0.03 0.00 0.00 46.19 43.57 1mw4 s LEU 59 CO 0.02 -0.72 0.28 0.00 0.23 0.00 0.00 176.35 176.16 1mw4 s HIS 61 N 0.62 3.41 -0.49 0.00 5.04 0.75 -3.06 115.29 121.55 1mw4 s HIS 61 Ca 0.25 0.65 -0.02 0.00 -1.54 0.00 0.00 55.06 54.41 1mw4 s HIS 61 Cb -0.10 -2.43 0.30 0.00 0.04 0.00 0.00 32.58 30.39 1mw4 s HIS 61 CO -0.09 -0.45 2.09 1.47 -2.34 0.00 0.00 174.74 175.42 1mw4 n LEU 62 N -2.32 7.01 0.00 8.88 -0.00 -1.22 -3.14 117.00 126.21 1mw4 n LEU 62 Ca 0.02 -3.82 0.00 0.00 -0.00 0.00 0.00 56.01 52.20 1mw4 n LEU 62 Cb 0.56 -1.04 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 1mw4 n LEU 62 CO 0.52 1.39 0.00 0.00 -0.00 0.00 0.00 177.39 179.30 1mw4 n GLN 63 N -0.15 0.00 -3.26 1.47 6.02 -1.26 -5.06 117.38 115.14 1mw4 n GLN 63 Ca 0.46 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.35 1mw4 n GLN 63 Cb 0.59 -0.20 -0.01 0.00 1.02 0.00 0.00 30.24 31.65 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 -1.10 0.65 -3.80 -1.09 2.85 -1.19 -5.17 118.16 109.31 1mw4 n LYS 64 Ca 0.00 -1.94 -0.14 0.00 -1.05 0.00 0.00 58.31 55.18 1mw4 n LYS 64 Cb 0.00 2.05 -0.15 0.00 -0.65 0.00 0.00 35.03 36.27 1mw4 n LYS 64 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1mw4 s VAL 65 N -2.58 -0.04 0.00 0.58 -7.23 -1.26 -0.18 120.40 109.69 1mw4 s VAL 65 Ca 0.18 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1mw4 s VAL 65 Cb -0.02 -0.07 0.00 0.00 0.56 0.00 0.00 36.38 36.85 1mw4 s VAL 65 CO 0.13 0.06 0.00 2.29 -0.31 0.00 0.00 175.10 177.27 1mw4 n LYS 66 N 3.87 0.00 -3.98 4.82 2.85 -1.16 -4.86 118.16 119.70 1mw4 n LYS 66 Ca -0.23 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 56.94 1mw4 n LYS 66 Cb 0.53 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.80 1mw4 n LYS 66 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1mw4 s HIS 67 N -1.62 0.26 -0.40 5.58 3.76 -1.26 -1.74 115.29 119.86 1mw4 s HIS 67 Ca 0.00 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 1mw4 s HIS 67 Cb 0.00 -0.19 0.12 0.00 1.11 0.00 0.00 32.58 33.62 1mw4 s HIS 67 CO 0.00 -0.20 0.18 0.71 -0.85 0.00 0.00 174.74 174.58 1mw4 s TYR 68 N -1.52 2.31 -0.17 1.40 1.51 0.12 -4.86 117.35 116.14 1mw4 s TYR 68 Ca -0.15 -2.43 -0.05 0.00 -1.01 0.00 0.00 57.07 53.43 1mw4 s TYR 68 Cb -0.09 -2.11 0.06 0.00 -0.11 0.00 0.00 41.96 39.71 1mw4 s TYR 68 CO -0.01 -0.82 0.12 -1.17 -1.11 0.00 0.00 175.55 172.55 1mw4 s LEU 69 N 0.66 0.22 0.00 -1.29 1.98 -1.25 -1.16 118.68 117.85 1mw4 s LEU 69 Ca 0.15 -0.46 0.00 0.00 -2.89 0.00 0.00 54.13 50.93 1mw4 s LEU 69 Cb -0.22 -0.09 0.00 0.00 0.66 0.00 0.00 46.19 46.54 1mw4 s LEU 69 CO -0.07 -0.34 0.00 -0.38 -1.89 0.00 0.00 176.35 173.67 1mw4 n ILE 70 N 5.29 0.00 -3.69 6.68 -0.00 -1.23 -4.82 119.36 121.59 1mw4 n ILE 70 Ca -0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.50 1mw4 n ILE 70 Cb 0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 39.64 39.96 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 -2.59 0.26 0.00 1.39 1.43 -1.11 -4.91 118.68 113.15 1mw4 s LEU 71 Ca 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1mw4 s LEU 71 Cb 0.00 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1mw4 s LEU 71 CO 0.00 -0.23 0.00 -0.81 0.23 0.00 0.00 176.35 175.54 1mw4 n PRO 72 N 5.09 2.05 -1.69 1.29 -0.04 -1.26 -1.01 135.00 139.43 1mw4 n PRO 72 Ca -0.08 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.94 1mw4 n PRO 72 Cb 0.50 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.92 1mw4 n PRO 72 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1mw4 n SER 73 N -0.35 3.70 -2.88 3.54 2.88 -1.18 -3.49 113.62 115.85 1mw4 n SER 73 Ca 0.00 1.02 -0.15 0.00 -1.33 0.00 0.00 58.87 58.41 1mw4 n SER 73 Cb 0.00 -1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 61.93 1mw4 n SER 73 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1mw4 n GLU 74 N 5.05 0.68 -0.41 -1.46 1.02 -1.06 -4.98 120.64 119.48 1mw4 n GLU 74 Ca 0.18 -2.09 0.09 0.00 -0.02 0.00 0.00 57.16 55.33 1mw4 n GLU 74 Cb 0.34 1.18 0.29 0.00 -0.02 0.00 0.00 31.44 33.22 1mw4 n GLU 74 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1mw4 n GLU 75 N -0.54 2.82 -0.00 3.49 0.00 -1.26 -3.35 120.64 121.79 1mw4 n GLU 75 Ca -0.03 -2.35 0.08 0.00 0.00 0.00 0.00 57.16 54.86 1mw4 n GLU 75 Cb 0.37 -1.62 -0.10 0.00 0.00 0.00 0.00 31.44 30.10 1mw4 n GLU 75 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1mw4 n GLU 76 N 1.19 1.55 0.00 3.44 4.71 -1.26 -5.05 120.64 125.22 1mw4 n GLU 76 Ca 0.22 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 1mw4 n GLU 76 Cb 0.63 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.79 1mw4 n GLU 76 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1mw4 n GLY 77 N 1.40 -0.35 0.00 0.62 0.00 -1.21 -5.13 105.19 100.51 1mw4 n GLY 77 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1mw4 n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mw4 n ARG 78 N 0.00 0.00 -2.35 1.61 0.00 -1.26 -4.17 116.66 110.50 1mw4 n ARG 78 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 1mw4 n ARG 78 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.44 1mw4 n ARG 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1mw4 s LEU 79 N 0.00 3.90 -0.24 2.89 2.01 -0.90 -2.58 118.68 123.77 1mw4 s LEU 79 Ca 0.00 1.34 -0.13 0.00 0.01 0.00 0.00 54.13 55.35 1mw4 s LEU 79 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.62 1mw4 s LEU 79 CO 0.00 -1.10 0.26 -0.31 1.01 0.00 0.00 176.35 176.21 1mw4 s TYR 80 N 4.52 3.32 0.01 0.29 1.51 -0.18 0.11 117.35 126.92 1mw4 s TYR 80 Ca 0.60 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 57.03 1mw4 s TYR 80 Cb -0.19 -2.39 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 1mw4 s TYR 80 CO 0.24 -0.01 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.56 1mw4 s PHE 81 N 1.31 0.47 0.00 2.71 0.40 -1.26 -2.74 117.98 118.87 1mw4 s PHE 81 Ca 0.12 -0.22 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1mw4 s PHE 81 Cb -0.14 -0.29 0.17 0.00 0.51 0.00 0.00 43.02 43.27 1mw4 s PHE 81 CO 0.07 -0.04 1.03 0.45 0.70 0.00 0.00 175.22 177.43 1mw4 n SER 82 N 2.48 -0.03 -3.86 1.36 2.88 -0.53 -2.42 113.62 113.50 1mw4 n SER 82 Ca -0.16 -1.91 -0.30 0.00 -1.33 0.00 0.00 58.87 55.17 1mw4 n SER 82 Cb 0.57 -0.01 0.02 0.00 -0.75 0.00 0.00 64.21 64.05 1mw4 n SER 82 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1mw4 n MET 83 N 0.20 0.00 -0.31 -1.46 2.81 0.16 -4.55 117.12 113.97 1mw4 n MET 83 Ca -0.10 0.00 0.20 0.00 -1.81 0.00 0.00 57.70 55.99 1mw4 n MET 83 Cb 0.86 -0.98 0.38 0.00 -0.71 0.00 0.00 33.22 32.78 1mw4 n MET 83 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1mw4 n ASP 84 N 3.31 0.06 -1.55 7.83 8.00 -1.26 -1.76 116.55 131.18 1mw4 n ASP 84 Ca -0.02 1.57 0.04 0.00 0.71 0.00 0.00 54.79 57.09 1mw4 n ASP 84 Cb 0.58 -0.64 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 1mw4 n ASP 84 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1mw4 n ASP 85 N -5.27 1.02 -3.63 -2.24 9.92 -1.26 -5.00 116.55 110.08 1mw4 n ASP 85 Ca 0.27 -2.00 -0.29 0.00 -0.53 0.00 0.00 54.79 52.24 1mw4 n ASP 85 Cb 0.90 -0.31 -0.13 0.00 -0.64 0.00 0.00 41.12 40.95 1mw4 n ASP 85 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1mw4 s GLY 86 N -2.07 1.26 -0.83 0.44 0.00 -0.72 -5.00 107.32 100.40 1mw4 s GLY 86 Ca 0.34 -2.15 0.02 0.00 0.00 0.00 0.00 44.72 42.93 1mw4 s GLY 86 CO -0.16 1.75 1.41 0.61 0.00 0.00 0.00 173.10 176.70 1mw4 n GLN 87 N 3.99 4.39 -0.84 2.90 10.64 -1.26 0.35 117.38 137.55 1mw4 n GLN 87 Ca 0.07 -4.74 0.03 0.00 -1.83 0.00 0.00 57.00 50.53 1mw4 n GLN 87 Cb 0.37 -2.37 0.34 0.00 -0.86 0.00 0.00 30.24 27.72 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 -0.02 2.53 -0.61 -0.39 -2.24 -1.09 -4.90 114.28 107.55 1mw4 n THR 88 Ca 0.39 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1mw4 n THR 88 Cb 0.32 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.39 0.00 -0.50 -0.78 1.85 -1.02 -4.58 116.66 112.02 1mw4 n ARG 89 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 1mw4 n ARG 89 Cb 1.15 -0.96 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 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 2.66 -0.02 -2.58 2.89 1.16 0.30 -4.45 117.46 117.42 1mw4 n PHE 90 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.17 1mw4 n PHE 90 Cb 0.07 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.91 1mw4 n PHE 90 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1mw4 s THR 91 N -1.37 4.00 0.33 1.97 2.01 -1.26 -2.12 115.64 119.19 1mw4 s THR 91 Ca 0.00 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.02 1mw4 s THR 91 Cb 0.00 -5.07 0.16 0.00 0.01 0.00 0.00 72.50 67.60 1mw4 s THR 91 CO 0.00 -1.94 1.87 -0.78 -0.69 0.00 0.00 174.62 173.09 1mw4 h ASP 92 N 9.34 0.55 0.00 3.53 3.58 -1.86 -3.28 116.42 128.28 1mw4 h ASP 92 Ca 0.24 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1mw4 h ASP 92 Cb 0.98 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1mw4 h ASP 92 CO 1.42 0.59 0.00 -0.11 -2.88 0.00 0.00 179.24 178.27 1mw4 n LEU 93 N -4.29 0.00 -0.30 2.28 0.00 -1.26 0.17 117.00 113.60 1mw4 n LEU 93 Ca 0.02 0.79 0.12 0.00 0.00 0.00 0.00 56.01 56.94 1mw4 n LEU 93 Cb 0.23 -0.29 0.28 0.00 0.00 0.00 0.00 43.42 43.64 1mw4 n LEU 93 CO 0.39 -0.29 1.04 0.25 0.00 0.00 0.00 177.39 178.78 1mw4 h LEU 94 N 0.00 0.32 0.20 -1.96 7.12 -2.00 -0.64 115.31 118.35 1mw4 h LEU 94 Ca 0.00 0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 1mw4 h LEU 94 Cb 0.00 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1mw4 h LEU 94 CO 0.00 0.02 -0.10 1.56 -0.13 0.00 0.00 178.44 179.80 1mw4 h GLN 95 N 0.41 -0.26 -1.30 1.25 1.08 -1.15 -2.17 115.11 112.97 1mw4 h GLN 95 Ca 0.53 0.02 0.38 0.00 -1.45 0.00 0.00 58.65 58.13 1mw4 h GLN 95 Cb 0.97 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.38 1mw4 h GLN 95 CO -0.51 -0.15 0.90 1.25 -0.95 0.00 0.00 178.83 179.37 1mw4 h LEU 96 N -0.30 0.15 0.05 1.46 6.46 0.33 1.32 115.31 124.79 1mw4 h LEU 96 Ca -0.03 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1mw4 h LEU 96 Cb 0.23 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1mw4 h LEU 96 CO 0.04 -0.01 -0.03 0.58 -0.62 0.00 0.00 178.44 178.40 1mw4 h VAL 97 N 0.11 0.00 -0.01 1.05 2.07 -1.07 -0.50 116.25 117.90 1mw4 h VAL 97 Ca 0.68 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 68.18 1mw4 h VAL 97 Cb 2.38 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1mw4 h VAL 97 CO -0.15 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 177.34 1mw4 h GLU 98 N -0.08 0.03 0.00 1.57 4.81 -1.30 -2.93 114.58 116.67 1mw4 h GLU 98 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1mw4 h GLU 98 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1mw4 h GLU 98 CO 0.01 0.59 0.00 1.19 -0.73 0.00 0.00 179.01 180.07 1mw4 n PHE 99 N -4.79 0.00 -0.54 0.92 3.01 0.45 -3.11 117.46 113.40 1mw4 n PHE 99 Ca -0.09 0.00 0.44 0.00 1.01 0.00 0.00 57.45 58.81 1mw4 n PHE 99 Cb 0.30 -0.41 0.72 0.00 -0.01 0.00 0.00 39.48 40.07 1mw4 n PHE 99 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1mw4 h HIS 100 N 0.00 0.35 0.37 1.38 2.76 -0.88 0.93 115.15 120.05 1mw4 h HIS 100 Ca 0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1mw4 h HIS 100 Cb 0.07 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1mw4 h HIS 100 CO 0.00 -0.18 -0.18 1.96 -1.30 0.00 0.00 177.93 178.23 1mw4 h GLN 101 N 0.02 -0.48 -2.12 5.26 1.08 -1.80 -3.18 115.11 113.89 1mw4 h GLN 101 Ca 0.88 0.03 -0.58 0.00 -1.45 0.00 0.00 58.65 57.54 1mw4 h GLN 101 Cb 3.07 0.11 -0.41 0.00 -0.05 0.00 0.00 27.48 30.20 1mw4 h GLN 101 CO -0.31 -0.32 -0.81 1.28 -0.95 0.00 0.00 178.83 177.72 1mw4 n LEU 102 N -3.76 2.44 0.00 1.46 7.99 0.57 -4.35 117.00 121.35 1mw4 n LEU 102 Ca -0.06 -5.19 -0.19 0.00 -0.01 0.00 0.00 56.01 50.57 1mw4 n LEU 102 Cb 0.20 -0.13 0.10 0.00 -0.11 0.00 0.00 43.42 43.47 1mw4 n LEU 102 CO 0.15 2.10 0.46 -0.46 -1.51 0.00 0.00 177.39 178.13 1mw4 n ASN 103 N 0.91 1.01 -3.41 -1.43 6.94 0.29 -4.91 115.26 114.66 1mw4 n ASN 103 Ca 0.27 -1.87 -0.38 0.00 -0.02 0.00 0.00 54.58 52.57 1mw4 n ASN 103 Cb 0.46 -0.53 -0.02 0.00 -2.36 0.00 0.00 39.78 37.33 1mw4 n ASN 103 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1mw4 n ARG 104 N -2.52 3.24 0.00 -3.83 3.00 -1.26 -4.46 116.66 110.83 1mw4 n ARG 104 Ca 0.13 -2.20 0.00 0.00 -0.00 0.00 0.00 57.85 55.79 1mw4 n ARG 104 Cb 0.47 -2.88 0.00 0.00 0.00 0.00 0.00 32.46 30.05 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 3.76 -1.96 3.86 5.14 0.00 -1.06 -4.87 105.19 110.06 1mw4 n GLY 105 Ca 0.68 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 4.96 0.00 -0.61 -1.16 -1.14 -4.99 121.20 118.26 1mw4 s ILE 106 Ca 0.00 0.62 0.00 0.00 -0.51 0.00 0.00 60.65 60.76 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 0.20 0.44 0.18 -2.81 0.00 0.00 174.94 172.95 1mw4 n LEU 107 N 0.67 0.00 -0.01 8.50 4.77 -1.26 -4.28 117.00 125.39 1mw4 n LEU 107 Ca -0.05 0.44 -0.01 0.00 -0.03 0.00 0.00 56.01 56.36 1mw4 n LEU 107 Cb 0.52 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1mw4 n LEU 107 CO 0.43 -0.20 -0.08 -0.81 -1.33 0.00 0.00 177.39 175.40 1mw4 n PRO 108 N -2.19 0.06 0.00 3.23 -0.04 -1.26 -4.99 135.00 129.82 1mw4 n PRO 108 Ca 0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1mw4 n PRO 108 Cb 0.00 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.21 -0.24 0.00 7.99 -1.26 -4.54 117.00 117.73 1mw4 n LEU 110 Ca 0.00 0.45 0.05 0.00 -0.01 0.00 0.00 56.01 56.49 1mw4 n LEU 110 Cb 0.00 -0.45 0.06 0.00 -0.11 0.00 0.00 43.42 42.93 1mw4 n LEU 110 CO 0.00 -1.93 0.41 0.00 -1.51 0.00 0.00 177.39 174.37 1mw4 n LEU 111 N 1.12 1.19 -4.71 2.23 -0.00 -1.26 -2.87 117.00 112.70 1mw4 n LEU 111 Ca 0.06 -1.96 -0.25 0.00 -0.00 0.00 0.00 56.01 53.86 1mw4 n LEU 111 Cb 0.18 -0.20 -0.07 0.00 -0.00 0.00 0.00 43.42 43.34 1mw4 n LEU 111 CO 0.27 0.46 -0.28 -0.13 -0.00 0.00 0.00 177.39 177.71 1mw4 s ARG 112 N -1.38 2.56 0.22 1.47 0.52 -1.26 -2.38 118.95 118.71 1mw4 s ARG 112 Ca 0.15 -1.09 -0.05 0.00 -0.52 0.00 0.00 55.73 54.21 1mw4 s ARG 112 Cb 0.13 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.15 1mw4 s ARG 112 CO 0.01 0.44 0.26 -3.38 0.02 0.00 0.00 175.30 172.65 1mw4 s HIS 113 N -1.87 0.90 0.00 -0.53 -3.43 -1.20 -3.15 115.29 106.00 1mw4 s HIS 113 Ca 0.29 -1.16 0.00 0.00 -0.80 0.00 0.00 55.06 53.39 1mw4 s HIS 113 Cb -0.09 -0.30 0.00 0.00 -1.43 0.00 0.00 32.58 30.76 1mw4 s HIS 113 CO 0.21 -0.78 0.00 0.00 -2.00 0.00 0.00 174.74 172.17 1mw4 s THR 116 N -1.40 0.60 -0.34 0.00 2.01 -1.26 -3.35 115.64 111.90 1mw4 s THR 116 Ca 0.00 -1.96 -0.00 0.00 0.31 0.00 0.00 61.69 60.04 1mw4 s THR 116 Cb 0.00 -1.98 0.11 0.00 0.01 0.00 0.00 72.50 70.64 1mw4 s THR 116 CO 0.00 -0.60 0.13 -0.60 -0.69 0.00 0.00 174.62 172.87 1mw4 s ARG 117 N -3.91 0.78 0.04 4.92 6.06 -1.26 -4.94 118.95 120.64 1mw4 s ARG 117 Ca 0.20 -1.24 0.00 0.00 -2.50 0.00 0.00 55.73 52.19 1mw4 s ARG 117 Cb 0.06 -1.97 0.00 0.00 0.06 0.00 0.00 34.95 33.10 1mw4 s ARG 117 CO 0.01 -1.04 0.00 1.33 -2.50 0.00 0.00 175.30 173.10 1mw4 n VAL 118 N 4.57 0.00 0.00 7.11 0.24 -1.26 -4.85 118.33 124.14 1mw4 n VAL 118 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1mw4 n VAL 118 Cb 0.40 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.60 0.00 0.00 2.33 0.00 -1.26 -5.16 120.51 113.82 1mw4 n ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mw4 n ALA 119 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mw4 n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78