#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mw4 n SER 2 N 0.00 -1.25 -4.57 1.61 2.88 -1.26 -5.07 113.62 105.96 1mw4 n SER 2 Ca 0.00 0.39 -0.42 0.00 -1.33 0.00 0.00 58.87 57.51 1mw4 n SER 2 Cb 0.00 1.34 -0.04 0.00 -0.75 0.00 0.00 64.21 64.76 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 1.64 0.00 -1.46 -0.04 -1.26 -4.52 135.00 126.34 1mw4 n PRO 3 Ca 0.00 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1mw4 n PRO 3 Cb 0.00 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.26 1mw4 n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mw4 n ALA 4 N 12.56 1.45 -2.76 0.55 0.00 -1.26 -5.14 120.51 125.92 1mw4 n ALA 4 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.61 1mw4 n ALA 4 Cb 0.45 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.30 1.19 0.00 0.00 7.64 -1.26 -5.06 113.62 113.84 1mw4 n SER 5 Ca 0.00 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1mw4 n SER 5 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 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 -0.11 1.93 0.92 0.23 0.00 -1.26 -5.03 105.19 101.88 1mw4 n GLY 6 Ca 0.11 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 2.57 0.00 -3.47 2.61 -1.04 -1.26 -5.11 114.28 108.58 1mw4 n THR 7 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1mw4 n THR 7 Cb 0.00 -0.17 -0.10 0.00 -1.82 0.00 0.00 70.33 68.25 1mw4 n THR 7 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1mw4 s SER 8 N -1.71 0.30 0.19 8.00 0.01 -1.26 -5.16 113.70 114.07 1mw4 s SER 8 Ca 0.00 0.37 -0.10 0.00 1.31 0.00 0.00 55.95 57.53 1mw4 s SER 8 Cb 0.00 1.02 -0.01 0.00 0.21 0.00 0.00 66.02 67.24 1mw4 s SER 8 CO 0.00 -0.28 0.33 -0.76 0.41 0.00 0.00 173.24 172.94 1mw4 s LEU 9 N 2.52 0.77 -0.15 2.44 1.43 -1.26 -5.17 118.68 119.25 1mw4 s LEU 9 Ca 0.08 -0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 52.21 1mw4 s LEU 9 Cb -0.14 1.33 0.06 0.00 0.03 0.00 0.00 46.19 47.46 1mw4 s LEU 9 CO -0.14 -0.95 0.36 -0.55 0.23 0.00 0.00 176.35 175.30 1mw4 s SER 10 N -2.98 -0.37 -0.16 2.29 0.15 -1.26 -5.02 113.70 106.35 1mw4 s SER 10 Ca 0.19 0.78 -0.07 0.00 0.70 0.00 0.00 55.95 57.56 1mw4 s SER 10 Cb 0.02 0.72 0.07 0.00 -1.71 0.00 0.00 66.02 65.13 1mw4 s SER 10 CO 0.02 -0.19 0.36 0.00 1.20 0.00 0.00 173.24 174.63 1mw4 s ALA 11 N 1.55 -0.91 -0.46 5.45 0.00 -1.26 -5.10 121.76 121.03 1mw4 s ALA 11 Ca -0.08 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.25 1mw4 s ALA 11 Cb -0.09 -1.04 0.19 0.00 0.00 0.00 0.00 23.12 22.17 1mw4 s ALA 11 CO -0.11 -0.51 0.57 0.00 0.00 0.00 0.00 175.76 175.70 1mw4 n ALA 12 N 4.89 0.47 -2.59 0.00 0.00 -1.26 -4.49 120.51 117.53 1mw4 n ALA 12 Ca -0.15 -2.11 -0.43 0.00 0.00 0.00 0.00 53.44 50.75 1mw4 n ALA 12 Cb 0.52 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 1mw4 n ALA 12 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1mw4 s ILE 13 N 0.35 4.15 0.01 0.00 1.10 -1.26 -5.00 121.20 120.53 1mw4 s ILE 13 Ca 0.32 1.01 0.01 0.00 -0.51 0.00 0.00 60.65 61.48 1mw4 s ILE 13 Cb 0.05 -4.65 -0.01 0.00 0.15 0.00 0.00 42.46 38.01 1mw4 s ILE 13 CO -0.13 -1.15 -0.04 -1.00 -2.11 0.00 0.00 174.94 170.51 1mw4 s HIS 14 N 4.61 0.35 0.00 3.50 3.76 -1.26 -5.03 115.29 121.22 1mw4 s HIS 14 Ca 0.44 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1mw4 s HIS 14 Cb -0.08 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.39 1mw4 s HIS 14 CO 0.28 -0.03 0.39 2.89 -0.85 0.00 0.00 174.74 177.42 1mw4 n ARG 15 N 2.66 -0.03 0.00 1.40 1.85 -1.26 -5.07 116.66 116.21 1mw4 n ARG 15 Ca -0.15 -0.45 0.00 0.00 -1.00 0.00 0.00 57.85 56.25 1mw4 n ARG 15 Cb 0.58 -0.77 0.00 0.00 -1.05 0.00 0.00 32.46 31.22 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 -0.06 0.00 -1.18 8.89 -2.24 -1.26 -5.02 114.28 113.40 1mw4 n THR 16 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1mw4 n THR 16 Cb 0.17 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.56 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 2.29 -1.55 -0.78 -0.00 -1.26 -5.01 117.38 111.07 1mw4 n GLN 17 Ca 0.00 -2.96 -0.40 0.00 -0.00 0.00 0.00 57.00 53.64 1mw4 n GLN 17 Cb 0.00 -2.16 0.02 0.00 -0.00 0.00 0.00 30.24 28.10 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 -1.05 1.89 -2.25 2.61 4.77 -1.26 -4.92 117.00 116.80 1mw4 n LEU 18 Ca 0.59 0.92 -0.28 0.00 -0.03 0.00 0.00 56.01 57.20 1mw4 n LEU 18 Cb 1.46 -1.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1mw4 n LEU 18 CO 0.62 -2.13 0.56 -2.67 -1.33 0.00 0.00 177.39 172.44 1mw4 n TRP 19 N -1.00 3.00 -4.59 -1.77 4.27 -1.26 -5.00 117.44 111.09 1mw4 n TRP 19 Ca 0.11 -2.57 -0.34 0.00 -3.89 0.00 0.00 57.50 50.81 1mw4 n TRP 19 Cb 0.42 -0.60 -0.11 0.00 -1.36 0.00 0.00 31.31 29.66 1mw4 n TRP 19 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 1mw4 s PHE 20 N -3.68 2.96 0.15 -2.67 0.40 -1.25 -3.13 117.98 110.76 1mw4 s PHE 20 Ca 0.53 -0.00 -0.01 0.00 -0.60 0.00 0.00 56.93 56.85 1mw4 s PHE 20 Cb 0.43 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 1mw4 s PHE 20 CO -0.05 0.30 0.08 -1.58 0.70 0.00 0.00 175.22 174.68 1mw4 s HIS 21 N -0.70 0.92 0.00 0.36 2.46 -1.16 -4.97 115.29 112.20 1mw4 s HIS 21 Ca 0.11 -1.26 0.00 0.00 0.47 0.00 0.00 55.06 54.38 1mw4 s HIS 21 Cb -0.11 -0.49 0.00 0.00 -0.13 0.00 0.00 32.58 31.85 1mw4 s HIS 21 CO 0.02 -0.56 0.00 0.41 -2.47 0.00 0.00 174.74 172.14 1mw4 n GLY 22 N -0.14 0.25 3.56 1.59 0.00 -1.26 -1.44 105.19 107.74 1mw4 n GLY 22 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 1.93 3.31 -0.25 1.61 3.52 -1.24 -2.47 118.95 125.36 1mw4 s ARG 23 Ca 0.00 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1mw4 s ARG 23 Cb 0.00 -4.86 0.05 0.00 -1.56 0.00 0.00 34.95 28.58 1mw4 s ARG 23 CO 0.00 -2.31 -0.11 -1.50 -0.81 0.00 0.00 175.30 170.57 1mw4 s ILE 24 N 5.87 2.28 -0.89 4.11 2.07 -1.24 -4.91 121.20 128.50 1mw4 s ILE 24 Ca 0.45 -1.45 -0.10 0.00 -1.41 0.00 0.00 60.65 58.15 1mw4 s ILE 24 Cb -0.04 -2.26 -0.29 0.00 0.13 0.00 0.00 42.46 40.00 1mw4 s ILE 24 CO 0.01 0.08 2.06 -1.20 -1.91 0.00 0.00 174.94 173.98 1mw4 n SER 25 N 4.50 -1.26 -0.34 4.50 7.64 -1.26 -4.70 113.62 122.69 1mw4 n SER 25 Ca -0.15 -0.72 0.22 0.00 1.01 0.00 0.00 58.87 59.22 1mw4 n SER 25 Cb 0.44 -0.63 0.46 0.00 -1.01 0.00 0.00 64.21 63.46 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 10.94 0.43 -0.02 1.43 -0.00 -1.95 1.58 114.38 126.78 1mw4 h ARG 26 Ca 0.03 -0.03 0.01 0.00 -0.00 0.00 0.00 59.98 60.00 1mw4 h ARG 26 Cb 1.11 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 30.97 1mw4 h ARG 26 CO 1.52 0.29 -0.04 1.05 -0.00 0.00 0.00 179.97 182.78 1mw4 h GLU 27 N 0.44 -0.07 0.00 0.08 4.11 -2.02 -2.24 114.58 114.89 1mw4 h GLU 27 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.09 1mw4 h GLU 27 Cb 1.49 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1mw4 h GLU 27 CO -0.44 -0.04 -0.05 0.93 0.07 0.00 0.00 179.01 179.48 1mw4 h GLU 28 N -0.07 0.00 -0.94 1.06 5.08 -1.20 -3.30 114.58 115.21 1mw4 h GLU 28 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1mw4 h GLU 28 Cb 0.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1mw4 h GLU 28 CO -0.06 0.00 0.59 1.03 -1.00 0.00 0.00 179.01 179.57 1mw4 h SER 29 N 0.00 1.11 0.75 1.42 0.87 0.27 -0.76 113.55 117.22 1mw4 h SER 29 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1mw4 h SER 29 Cb 0.97 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1mw4 h SER 29 CO 0.00 0.83 0.00 0.00 -0.53 0.00 0.00 176.83 177.13 1mw4 n GLN 30 N -4.39 0.20 0.08 2.24 10.64 -1.03 -0.75 117.38 124.37 1mw4 n GLN 30 Ca 0.11 0.42 -0.14 0.00 -1.83 0.00 0.00 57.00 55.56 1mw4 n GLN 30 Cb 0.04 -1.88 -0.06 0.00 -0.86 0.00 0.00 30.24 27.48 1mw4 n GLN 30 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1mw4 h ARG 31 N 0.00 0.37 0.00 2.61 9.65 -1.30 -1.61 114.38 124.10 1mw4 h ARG 31 Ca 0.00 -0.44 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1mw4 h ARG 31 Cb 0.38 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1mw4 h ARG 31 CO 0.00 1.12 -0.34 -0.07 2.80 0.00 0.00 179.97 183.48 1mw4 h LEU 32 N 0.19 0.00 0.00 3.80 3.38 -1.27 -3.38 115.31 118.03 1mw4 h LEU 32 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1mw4 h LEU 32 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1mw4 h LEU 32 CO 0.17 0.57 0.00 -0.38 0.09 0.00 0.00 178.44 178.89 1mw4 n ILE 33 N -4.17 0.81 -0.73 1.22 -0.00 0.07 -2.40 119.36 114.17 1mw4 n ILE 33 Ca -0.05 0.20 -0.09 0.00 -0.00 0.00 0.00 62.75 62.82 1mw4 n ILE 33 Cb 0.18 -0.94 0.23 0.00 -0.00 0.00 0.00 39.64 39.11 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 0.07 3.49 0.01 7.39 0.00 -0.61 -3.44 105.19 112.10 1mw4 n GLY 34 Ca 0.05 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.26 0.52 -2.09 1.61 10.64 -1.01 -4.93 117.38 121.86 1mw4 n GLN 35 Ca 0.38 -0.15 -0.41 0.00 -1.83 0.00 0.00 57.00 54.98 1mw4 n GLN 35 Cb 1.29 -1.52 -0.03 0.00 -0.86 0.00 0.00 30.24 29.13 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 -3.41 4.31 -0.25 2.61 1.11 -1.22 -4.92 119.66 117.90 1mw4 s GLN 36 Ca -0.04 2.22 0.13 0.00 0.01 0.00 0.00 55.36 57.68 1mw4 s GLN 36 Cb 0.14 -3.13 0.82 0.00 -1.01 0.00 0.00 33.01 29.83 1mw4 s GLN 36 CO 0.90 -0.35 1.76 0.41 0.01 0.00 0.00 175.29 178.03 1mw4 n GLY 37 N 2.14 3.08 3.38 3.09 0.00 -1.26 -4.97 105.19 110.66 1mw4 n GLY 37 Ca 0.06 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 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 0.52 0.00 -4.93 0.99 7.99 -1.26 -5.02 117.00 115.29 1mw4 n LEU 38 Ca 0.30 -1.28 -0.30 0.00 -0.01 0.00 0.00 56.01 54.72 1mw4 n LEU 38 Cb 1.23 -0.89 0.17 0.00 -0.11 0.00 0.00 43.42 43.82 1mw4 n LEU 38 CO 0.35 -1.33 0.86 0.68 -1.51 0.00 0.00 177.39 176.44 1mw4 s VAL 39 N -3.54 2.00 -0.30 4.08 -7.23 -1.26 -4.20 120.40 109.95 1mw4 s VAL 39 Ca 0.66 -0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.79 1mw4 s VAL 39 Cb -0.02 -3.00 -0.08 0.00 0.56 0.00 0.00 36.38 33.84 1mw4 s VAL 39 CO 0.46 0.00 1.84 0.47 -0.31 0.00 0.00 175.10 177.57 1mw4 n ASP 40 N -3.68 2.90 0.00 4.85 8.00 -1.17 -2.98 116.55 124.48 1mw4 n ASP 40 Ca 0.14 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1mw4 n ASP 40 Cb 0.60 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 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 3.23 0.67 3.34 0.44 0.00 -1.19 -4.38 105.19 107.30 1mw4 n GLY 41 Ca 0.25 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.02 6.01 0.22 0.99 2.01 -1.16 0.48 118.68 127.22 1mw4 s LEU 42 Ca 0.00 -1.87 0.09 0.00 0.01 0.00 0.00 54.13 52.36 1mw4 s LEU 42 Cb 0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.91 1mw4 s LEU 42 CO 0.00 -0.89 -0.03 0.72 1.01 0.00 0.00 176.35 177.16 1mw4 s PHE 43 N 1.70 2.71 0.24 0.29 -0.12 -1.05 0.45 117.98 122.19 1mw4 s PHE 43 Ca 0.10 -0.20 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 1mw4 s PHE 43 Cb -0.23 -1.26 -0.05 0.00 -0.63 0.00 0.00 43.02 40.85 1mw4 s PHE 43 CO 0.01 0.57 0.01 -1.17 -0.05 0.00 0.00 175.22 174.59 1mw4 s LEU 44 N -3.29 2.14 -0.45 -1.99 2.96 0.36 -3.39 118.68 115.02 1mw4 s LEU 44 Ca 0.29 -1.24 0.02 0.00 -0.22 0.00 0.00 54.13 52.98 1mw4 s LEU 44 Cb -0.08 -0.25 0.14 0.00 0.50 0.00 0.00 46.19 46.50 1mw4 s LEU 44 CO 0.18 -0.54 0.25 -0.69 -1.32 0.00 0.00 176.35 174.24 1mw4 s VAL 45 N -3.44 1.45 0.12 1.68 1.01 -1.18 0.29 120.40 120.33 1mw4 s VAL 45 Ca 0.30 -2.65 -0.02 0.00 0.00 0.00 0.00 61.98 59.61 1mw4 s VAL 45 Cb 0.06 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1mw4 s VAL 45 CO 0.10 -0.91 0.07 0.00 0.00 0.00 0.00 175.10 174.35 1mw4 s ARG 46 N 0.25 0.91 0.00 2.72 3.03 -0.99 -2.97 118.95 121.90 1mw4 s ARG 46 Ca 0.18 -1.38 0.00 0.00 2.03 0.00 0.00 55.73 56.56 1mw4 s ARG 46 Cb -0.22 0.25 0.00 0.00 -1.03 0.00 0.00 34.95 33.95 1mw4 s ARG 46 CO -0.01 -0.26 0.00 -1.91 -1.13 0.00 0.00 175.30 171.99 1mw4 n GLU 47 N -0.08 0.00 -3.96 3.89 0.00 -0.52 -2.58 120.64 117.39 1mw4 n GLU 47 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.00 1mw4 n GLU 47 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.96 1mw4 n GLU 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1mw4 s SER 48 N 1.12 0.19 0.00 4.31 0.15 -1.13 -3.62 113.70 114.72 1mw4 s SER 48 Ca 0.00 -0.43 0.23 0.00 0.70 0.00 0.00 55.95 56.45 1mw4 s SER 48 Cb 0.00 0.12 0.44 0.00 -1.71 0.00 0.00 66.02 64.87 1mw4 s SER 48 CO 0.00 -0.30 1.41 0.00 1.20 0.00 0.00 173.24 175.55 1mw4 n GLN 49 N 1.62 2.44 -0.13 5.44 -0.00 -1.26 -4.04 117.38 121.44 1mw4 n GLN 49 Ca -0.23 -2.17 -0.25 0.00 -0.00 0.00 0.00 57.00 54.35 1mw4 n GLN 49 Cb 0.55 -1.50 -0.11 0.00 -0.00 0.00 0.00 30.24 29.18 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 1.39 0.61 -2.59 2.61 3.00 -1.26 -4.79 116.66 115.64 1mw4 n ARG 50 Ca 0.19 0.23 -0.41 0.00 -0.00 0.00 0.00 57.85 57.85 1mw4 n ARG 50 Cb 0.59 -1.51 -0.03 0.00 0.00 0.00 0.00 32.46 31.50 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 -7.11 6.18 0.28 6.15 0.02 -1.26 -4.89 114.94 114.31 1mw4 s ASN 51 Ca -0.37 -0.56 -0.01 0.00 -1.02 0.00 0.00 52.86 50.90 1mw4 s ASN 51 Cb 0.12 -2.54 0.64 0.00 0.02 0.00 0.00 41.25 39.49 1mw4 s ASN 51 CO 0.54 -1.78 1.62 1.55 0.02 0.00 0.00 177.10 179.05 1mw4 h PRO 52 N 9.96 0.12 -2.39 -0.60 0.13 -1.86 -1.04 132.00 136.31 1mw4 h PRO 52 Ca -0.26 -0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 64.18 1mw4 h PRO 52 Cb 1.05 -0.03 -0.36 0.00 0.13 0.00 0.00 31.00 31.80 1mw4 h PRO 52 CO 1.27 0.08 0.05 0.00 -0.23 0.00 0.00 178.00 179.17 1mw4 n GLN 53 N -5.34 3.80 -3.79 0.86 0.00 -1.26 -5.00 117.38 106.66 1mw4 n GLN 53 Ca 0.20 -4.70 -0.25 0.00 0.00 0.00 0.00 57.00 52.24 1mw4 n GLN 53 Cb 0.65 -2.36 -0.17 0.00 0.00 0.00 0.00 30.24 28.36 1mw4 n GLN 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1mw4 s GLY 54 N -2.37 0.61 -0.04 2.61 0.00 -0.40 -4.04 107.32 103.70 1mw4 s GLY 54 Ca 0.40 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.79 1mw4 s GLY 54 CO -0.05 1.16 -0.15 -1.36 0.00 0.00 0.00 173.10 172.71 1mw4 s PHE 55 N 1.89 1.47 0.03 1.90 0.40 -1.26 -3.68 117.98 118.73 1mw4 s PHE 55 Ca 0.03 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 1mw4 s PHE 55 Cb -0.14 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 1mw4 s PHE 55 CO -0.06 -0.15 -0.15 0.54 0.70 0.00 0.00 175.22 176.10 1mw4 s VAL 56 N 0.09 1.22 -0.26 -0.44 0.11 -1.07 -3.29 120.40 116.76 1mw4 s VAL 56 Ca -0.04 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 58.01 1mw4 s VAL 56 Cb -0.11 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.65 1mw4 s VAL 56 CO 0.02 0.12 0.07 -0.22 -3.33 0.00 0.00 175.10 171.75 1mw4 s LEU 57 N -0.94 3.49 -0.11 2.54 0.20 -0.84 -2.34 118.68 120.67 1mw4 s LEU 57 Ca 0.04 -0.32 -0.09 0.00 0.69 0.00 0.00 54.13 54.45 1mw4 s LEU 57 Cb -0.07 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1mw4 s LEU 57 CO 0.01 -0.07 0.18 -0.44 -0.29 0.00 0.00 176.35 175.74 1mw4 s SER 58 N 1.59 6.43 0.47 3.68 0.01 0.14 -1.96 113.70 124.06 1mw4 s SER 58 Ca 0.06 0.51 0.06 0.00 1.31 0.00 0.00 55.95 57.89 1mw4 s SER 58 Cb -0.15 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 1mw4 s SER 58 CO 0.03 0.36 0.27 -0.76 0.41 0.00 0.00 173.24 173.55 1mw4 s LEU 59 N -0.82 2.94 -0.39 2.44 1.43 -0.97 0.14 118.68 123.43 1mw4 s LEU 59 Ca 0.16 -1.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.14 1mw4 s LEU 59 Cb -0.13 -1.38 0.16 0.00 0.03 0.00 0.00 46.19 44.87 1mw4 s LEU 59 CO 0.05 -0.79 0.33 0.00 0.23 0.00 0.00 176.35 176.17 1mw4 s HIS 61 N 0.58 2.09 -0.46 0.00 5.04 0.29 -3.02 115.29 119.81 1mw4 s HIS 61 Ca 0.26 0.39 -0.01 0.00 -1.54 0.00 0.00 55.06 54.16 1mw4 s HIS 61 Cb -0.07 -3.75 0.32 0.00 0.04 0.00 0.00 32.58 29.12 1mw4 s HIS 61 CO -0.10 -2.20 2.01 1.47 -2.34 0.00 0.00 174.74 173.58 1mw4 n LEU 62 N -3.47 6.96 0.00 8.88 -0.00 -1.26 -3.34 117.00 124.76 1mw4 n LEU 62 Ca 0.13 -3.70 0.00 0.00 -0.00 0.00 0.00 56.01 52.44 1mw4 n LEU 62 Cb 0.60 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 1mw4 n LEU 62 CO 0.49 1.31 0.00 0.00 -0.00 0.00 0.00 177.39 179.20 1mw4 n GLN 63 N -0.21 0.00 0.00 1.47 1.13 -1.26 -5.07 117.38 113.43 1mw4 n GLN 63 Ca 0.44 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 1mw4 n GLN 63 Cb 0.64 -0.18 0.00 0.00 0.11 0.00 0.00 30.24 30.81 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 -1.53 0.00 -4.08 -1.09 2.85 -1.21 -5.10 118.16 108.01 1mw4 n LYS 64 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 1mw4 n LYS 64 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 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 -2.17 0.21 0.29 0.58 -7.23 -1.26 0.10 120.40 110.93 1mw4 s VAL 65 Ca 0.00 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 1mw4 s VAL 65 Cb 0.00 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1mw4 s VAL 65 CO 0.00 -0.96 0.23 -1.59 -0.31 0.00 0.00 175.10 172.48 1mw4 s LYS 66 N -3.77 1.59 -0.18 4.82 0.00 -1.14 -4.91 119.74 116.14 1mw4 s LYS 66 Ca 0.06 -1.90 -0.05 0.00 0.00 0.00 0.00 55.97 54.08 1mw4 s LYS 66 Cb 0.07 0.31 0.07 0.00 0.00 0.00 0.00 37.83 38.27 1mw4 s LYS 66 CO -0.09 -0.57 0.10 -1.01 0.00 0.00 0.00 175.35 173.77 1mw4 s HIS 67 N -3.66 0.18 -0.85 1.78 3.76 -1.26 -2.30 115.29 112.94 1mw4 s HIS 67 Ca 0.40 -0.34 -0.14 0.00 -0.15 0.00 0.00 55.06 54.83 1mw4 s HIS 67 Cb 0.04 -0.69 0.22 0.00 1.11 0.00 0.00 32.58 33.26 1mw4 s HIS 67 CO 0.23 -0.55 0.79 0.71 -0.85 0.00 0.00 174.74 175.07 1mw4 s TYR 68 N 2.15 3.79 -0.22 1.40 2.02 -0.83 -4.89 117.35 120.77 1mw4 s TYR 68 Ca 0.03 -2.03 -0.00 0.00 -0.37 0.00 0.00 57.07 54.70 1mw4 s TYR 68 Cb -0.16 -3.83 0.06 0.00 -0.40 0.00 0.00 41.96 37.63 1mw4 s TYR 68 CO -0.12 -0.99 -0.04 -1.17 -1.57 0.00 0.00 175.55 171.66 1mw4 s LEU 69 N 0.11 2.22 0.00 -1.29 1.98 -1.25 -1.99 118.68 118.46 1mw4 s LEU 69 Ca 0.19 -1.06 0.00 0.00 -2.89 0.00 0.00 54.13 50.37 1mw4 s LEU 69 Cb -0.10 -1.05 0.00 0.00 0.66 0.00 0.00 46.19 45.70 1mw4 s LEU 69 CO -0.09 -0.24 0.00 -0.38 -1.89 0.00 0.00 176.35 173.75 1mw4 n ILE 70 N 4.76 0.00 -3.76 6.68 5.41 -1.21 -4.85 119.36 126.39 1mw4 n ILE 70 Ca -0.12 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.49 1mw4 n ILE 70 Cb 0.45 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.22 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 -2.79 0.97 0.00 1.39 1.43 -0.94 -4.83 118.68 113.91 1mw4 s LEU 71 Ca 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1mw4 s LEU 71 Cb 0.00 0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.28 1mw4 s LEU 71 CO 0.00 -0.13 0.00 -0.81 0.23 0.00 0.00 176.35 175.64 1mw4 n PRO 72 N 4.19 2.02 -1.70 1.29 -0.04 -1.26 -2.02 135.00 137.49 1mw4 n PRO 72 Ca -0.27 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.84 1mw4 n PRO 72 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 1mw4 n PRO 72 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1mw4 s SER 73 N -1.00 4.63 0.59 3.54 0.15 -1.16 -3.67 113.70 116.78 1mw4 s SER 73 Ca 0.00 0.77 0.10 0.00 0.70 0.00 0.00 55.95 57.52 1mw4 s SER 73 Cb 0.00 -2.51 0.10 0.00 -1.71 0.00 0.00 66.02 61.89 1mw4 s SER 73 CO 0.00 -2.82 0.82 -1.61 1.20 0.00 0.00 173.24 170.83 1mw4 s GLU 74 N 7.97 2.25 -0.01 5.44 2.02 -1.13 -4.97 118.70 130.25 1mw4 s GLU 74 Ca 0.88 -1.69 0.19 0.00 0.02 0.00 0.00 54.97 54.38 1mw4 s GLU 74 Cb -0.15 -2.64 0.57 0.00 0.10 0.00 0.00 34.13 32.01 1mw4 s GLU 74 CO 0.23 -0.93 1.47 -1.91 0.02 0.00 0.00 175.26 174.14 1mw4 n GLU 75 N -2.29 2.58 0.00 1.61 2.13 -1.26 -3.34 120.64 120.07 1mw4 n GLU 75 Ca 0.17 -2.31 0.06 0.00 0.66 0.00 0.00 57.16 55.74 1mw4 n GLU 75 Cb 0.62 -1.53 -0.07 0.00 0.27 0.00 0.00 31.44 30.73 1mw4 n GLU 75 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1mw4 n GLU 76 N 1.30 2.66 0.00 5.31 0.28 -1.26 -5.06 120.64 123.88 1mw4 n GLU 76 Ca 0.21 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1mw4 n GLU 76 Cb 0.57 -1.12 0.00 0.00 1.43 0.00 0.00 31.44 32.32 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 1.29 1.01 0.00 -1.84 0.00 -1.21 -5.16 105.19 99.27 1mw4 n GLY 77 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.59 1.61 0.00 -1.26 -4.15 116.66 110.26 1mw4 n ARG 78 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1mw4 n ARG 78 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.43 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 3.47 -1.12 2.89 2.01 -0.71 -2.85 118.68 122.36 1mw4 s LEU 79 Ca 0.00 0.05 -0.11 0.00 0.01 0.00 0.00 54.13 54.07 1mw4 s LEU 79 Cb 0.00 -3.11 0.24 0.00 0.01 0.00 0.00 46.19 43.33 1mw4 s LEU 79 CO 0.00 -1.49 1.19 -0.31 1.01 0.00 0.00 176.35 176.75 1mw4 s TYR 80 N 4.96 3.96 0.31 0.29 1.51 -0.86 0.13 117.35 127.65 1mw4 s TYR 80 Ca 0.42 -2.43 -0.09 0.00 -1.01 0.00 0.00 57.07 53.97 1mw4 s TYR 80 Cb -0.08 -4.01 0.01 0.00 -0.11 0.00 0.00 41.96 37.78 1mw4 s TYR 80 CO 0.24 -1.11 0.53 -0.59 -1.11 0.00 0.00 175.55 173.50 1mw4 s PHE 81 N -0.13 0.64 0.00 2.71 -0.12 -1.26 -2.22 117.98 117.61 1mw4 s PHE 81 Ca 0.34 -1.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.22 1mw4 s PHE 81 Cb -0.08 0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 1mw4 s PHE 81 CO -0.06 -1.15 0.00 0.43 -0.05 0.00 0.00 175.22 174.39 1mw4 n SER 82 N -1.01 0.00 -0.64 1.98 7.64 -1.26 0.10 113.62 120.43 1mw4 n SER 82 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1mw4 n SER 82 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1mw4 n SER 82 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1mw4 n MET 83 N 0.00 0.00 0.22 1.43 2.81 -1.26 -4.90 117.12 115.43 1mw4 n MET 83 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.96 1mw4 n MET 83 Cb 0.00 0.00 0.59 0.00 -0.71 0.00 0.00 33.22 33.10 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 0.05 -0.37 7.83 3.58 -2.00 -3.20 116.42 122.31 1mw4 h ASP 84 Ca 0.00 -0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1mw4 h ASP 84 Cb 0.00 -0.01 -0.39 0.00 1.72 0.00 0.00 39.33 40.64 1mw4 h ASP 84 CO 0.00 0.08 -1.09 -0.90 -2.88 0.00 0.00 179.24 174.44 1mw4 n ASP 85 N -4.49 1.45 -4.48 2.28 5.68 -1.26 -5.11 116.55 110.62 1mw4 n ASP 85 Ca -0.02 -2.02 -0.23 0.00 -0.50 0.00 0.00 54.79 52.01 1mw4 n ASP 85 Cb 0.12 -0.44 -0.11 0.00 -1.14 0.00 0.00 41.12 39.56 1mw4 n ASP 85 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1mw4 s GLY 86 N -3.56 2.21 -0.41 6.12 0.00 -1.21 -5.11 107.32 105.37 1mw4 s GLY 86 Ca 0.27 -2.05 0.05 0.00 0.00 0.00 0.00 44.72 43.00 1mw4 s GLY 86 CO -0.06 -1.89 0.42 0.61 0.00 0.00 0.00 173.10 172.18 1mw4 n GLN 87 N -0.77 0.36 -0.14 2.90 10.64 -1.26 -3.98 117.38 125.13 1mw4 n GLN 87 Ca -0.03 -3.12 0.04 0.00 -1.83 0.00 0.00 57.00 52.06 1mw4 n GLN 87 Cb 0.67 -1.52 0.11 0.00 -0.86 0.00 0.00 30.24 28.64 1mw4 n GLN 87 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1mw4 n THR 88 N 2.39 1.13 -0.72 -0.39 -2.24 -1.09 -4.95 114.28 108.42 1mw4 n THR 88 Ca 0.26 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1mw4 n THR 88 Cb 0.50 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 0.06 0.00 0.00 -0.78 -4.01 0.29 -4.52 116.66 107.70 1mw4 n ARG 89 Ca 0.09 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.90 1mw4 n ARG 89 Cb 0.42 -0.98 0.00 0.00 -3.04 0.00 0.00 32.46 28.85 1mw4 n ARG 89 CO 0.00 0.00 0.00 1.97 -3.04 0.00 0.00 177.63 176.56 1mw4 n PHE 90 N 2.91 0.00 -0.85 2.89 1.16 0.34 -4.39 117.46 119.53 1mw4 n PHE 90 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.23 1mw4 n PHE 90 Cb 0.11 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.08 1mw4 n PHE 90 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1mw4 n THR 91 N 0.00 0.00 0.01 1.97 -2.24 -1.26 -1.75 114.28 111.02 1mw4 n THR 91 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1mw4 n THR 91 Cb 0.00 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1mw4 n THR 91 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1mw4 n ASP 92 N 0.66 -0.14 0.00 3.42 2.03 -1.26 -4.69 116.55 116.57 1mw4 n ASP 92 Ca 0.01 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1mw4 n ASP 92 Cb 0.62 0.38 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 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 -2.56 0.00 -0.27 -2.67 7.94 -1.26 0.32 117.00 118.50 1mw4 n LEU 93 Ca 0.00 0.87 0.07 0.00 -1.11 0.00 0.00 56.01 55.84 1mw4 n LEU 93 Cb 0.00 -0.38 0.21 0.00 0.53 0.00 0.00 43.42 43.78 1mw4 n LEU 93 CO 0.00 -0.38 1.01 0.25 -1.11 0.00 0.00 177.39 177.16 1mw4 h LEU 94 N 0.00 0.26 -0.35 -1.96 7.12 -2.00 -0.45 115.31 117.93 1mw4 h LEU 94 Ca 0.00 0.12 -0.06 0.00 0.13 0.00 0.00 57.88 58.07 1mw4 h LEU 94 Cb 0.00 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 1mw4 h LEU 94 CO 0.00 0.07 -0.02 -0.61 -0.13 0.00 0.00 178.44 177.76 1mw4 h GLN 95 N 0.42 0.64 -0.15 1.25 -0.00 -1.46 -3.12 115.11 112.68 1mw4 h GLN 95 Ca 0.44 -0.21 0.04 0.00 -0.00 0.00 0.00 58.65 58.92 1mw4 h GLN 95 Cb 0.71 -0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.10 1mw4 h GLN 95 CO -0.44 0.76 -0.12 1.25 0.00 0.00 0.00 178.83 180.29 1mw4 h LEU 96 N 0.44 -0.37 -0.08 -2.39 5.85 0.64 0.65 115.31 120.05 1mw4 h LEU 96 Ca 0.10 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1mw4 h LEU 96 Cb 0.48 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1mw4 h LEU 96 CO 0.02 -0.15 -0.18 0.58 -0.34 0.00 0.00 178.44 178.37 1mw4 h VAL 97 N -0.12 0.00 0.16 1.05 2.07 -1.09 1.44 116.25 119.75 1mw4 h VAL 97 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1mw4 h VAL 97 Cb 0.26 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1mw4 h VAL 97 CO -0.23 0.00 -0.08 -0.08 0.02 0.00 0.00 177.57 177.20 1mw4 h GLU 98 N -0.16 -0.21 0.00 1.57 4.81 -1.49 -2.98 114.58 116.11 1mw4 h GLU 98 Ca 0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1mw4 h GLU 98 Cb 0.20 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1mw4 h GLU 98 CO -0.16 0.14 0.00 1.19 -0.73 0.00 0.00 179.01 179.45 1mw4 n PHE 99 N -5.02 0.00 -0.38 0.92 3.01 0.23 -3.15 117.46 113.08 1mw4 n PHE 99 Ca -0.09 0.00 0.32 0.00 1.01 0.00 0.00 57.45 58.69 1mw4 n PHE 99 Cb 0.24 -0.31 0.64 0.00 -0.01 0.00 0.00 39.48 40.04 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 0.36 -0.10 1.38 2.07 0.22 0.89 115.15 119.96 1mw4 h HIS 100 Ca 0.00 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.51 1mw4 h HIS 100 Cb 0.12 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 30.00 1mw4 h HIS 100 CO 0.00 -0.02 -0.01 -0.56 -3.07 0.00 0.00 177.93 174.26 1mw4 h GLN 101 N 0.17 0.19 -1.55 5.12 3.07 -1.78 -3.13 115.11 117.19 1mw4 h GLN 101 Ca 0.66 -0.07 -0.48 0.00 0.09 0.00 0.00 58.65 58.85 1mw4 h GLN 101 Cb 2.16 -0.01 -0.33 0.00 0.08 0.00 0.00 27.48 29.37 1mw4 h GLN 101 CO -0.21 0.47 -0.97 1.28 0.09 0.00 0.00 178.83 179.49 1mw4 n LEU 102 N -4.79 -0.50 0.00 0.06 7.99 0.16 -4.58 117.00 115.34 1mw4 n LEU 102 Ca -0.06 -4.39 0.00 0.00 -0.01 0.00 0.00 56.01 51.55 1mw4 n LEU 102 Cb 0.22 0.69 0.00 0.00 -0.11 0.00 0.00 43.42 44.22 1mw4 n LEU 102 CO 0.35 2.06 0.00 -0.46 -1.51 0.00 0.00 177.39 177.84 1mw4 n ASN 103 N 1.42 0.51 -3.80 -1.43 2.04 0.26 -4.90 115.26 109.37 1mw4 n ASN 103 Ca 0.18 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.91 1mw4 n ASN 103 Cb 0.56 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.82 1mw4 n ASN 103 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1mw4 n ARG 104 N 0.00 4.91 0.00 -3.83 3.00 -1.26 -4.61 116.66 114.87 1mw4 n ARG 104 Ca 0.00 -4.50 0.00 0.00 -0.01 0.00 0.00 57.85 53.34 1mw4 n ARG 104 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 32.46 29.94 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 0.76 -1.06 3.96 -0.13 0.00 -0.69 -4.86 105.19 103.17 1mw4 n GLY 105 Ca 0.38 0.00 -0.23 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 0.00 5.26 0.00 -0.61 2.07 -1.26 -5.00 121.20 121.66 1mw4 s ILE 106 Ca 0.00 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.38 1mw4 s ILE 106 Cb 0.00 -3.83 0.00 0.00 0.13 0.00 0.00 42.46 38.76 1mw4 s ILE 106 CO 0.00 -0.29 0.00 0.18 -1.91 0.00 0.00 174.94 172.92 1mw4 n LEU 107 N -1.22 0.00 -2.80 8.50 4.77 -1.26 -3.60 117.00 121.39 1mw4 n LEU 107 Ca -0.08 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.54 1mw4 n LEU 107 Cb 0.56 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.68 1mw4 n LEU 107 CO 0.46 0.00 1.17 -0.81 -1.33 0.00 0.00 177.39 176.89 1mw4 n PRO 108 N 0.00 2.94 -0.76 3.23 -0.04 -1.26 -4.98 135.00 134.13 1mw4 n PRO 108 Ca 0.00 -3.79 0.00 0.00 -0.04 0.00 0.00 63.50 59.67 1mw4 n PRO 108 Cb 0.00 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 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 -0.30 0.29 0.00 7.99 -1.26 -4.61 117.00 119.11 1mw4 n LEU 110 Ca 0.00 -0.55 0.18 0.00 -0.01 0.00 0.00 56.01 55.62 1mw4 n LEU 110 Cb 0.00 -0.88 0.82 0.00 -0.11 0.00 0.00 43.42 43.26 1mw4 n LEU 110 CO 0.00 -1.50 1.03 0.17 -1.51 0.00 0.00 177.39 175.58 1mw4 h LEU 111 N 13.76 0.00 -9.82 2.23 -0.00 -1.83 -3.37 115.31 116.28 1mw4 h LEU 111 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.37 1mw4 h LEU 111 Cb 1.16 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.83 1mw4 h LEU 111 CO 1.44 0.04 0.48 -0.13 -0.00 0.00 0.00 178.44 180.27 1mw4 s ARG 112 N -3.88 4.61 0.26 0.17 0.52 -1.26 -1.70 118.95 117.67 1mw4 s ARG 112 Ca -0.01 1.81 -0.10 0.00 -0.52 0.00 0.00 55.73 56.91 1mw4 s ARG 112 Cb 0.11 -3.16 -0.00 0.00 0.52 0.00 0.00 34.95 32.42 1mw4 s ARG 112 CO 0.52 0.18 0.45 -3.38 0.02 0.00 0.00 175.30 173.09 1mw4 s HIS 113 N -1.18 0.55 0.00 -0.53 -3.43 -1.18 -3.46 115.29 106.06 1mw4 s HIS 113 Ca 0.45 -0.89 0.00 0.00 -0.80 0.00 0.00 55.06 53.82 1mw4 s HIS 113 Cb -0.32 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 30.92 1mw4 s HIS 113 CO 0.41 -1.00 0.00 0.00 -2.00 0.00 0.00 174.74 172.15 1mw4 s THR 116 N -1.46 1.73 -0.57 0.00 2.01 -1.22 -2.52 115.64 113.61 1mw4 s THR 116 Ca 0.00 -2.17 0.01 0.00 0.31 0.00 0.00 61.69 59.84 1mw4 s THR 116 Cb 0.00 -2.29 0.14 0.00 0.01 0.00 0.00 72.50 70.36 1mw4 s THR 116 CO 0.00 -0.42 0.34 -0.60 -0.69 0.00 0.00 174.62 173.25 1mw4 s ARG 117 N -3.68 2.23 0.03 4.92 3.52 -1.26 -4.85 118.95 119.86 1mw4 s ARG 117 Ca 0.27 -2.61 0.00 0.00 -0.13 0.00 0.00 55.73 53.26 1mw4 s ARG 117 Cb 0.02 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1mw4 s ARG 117 CO 0.10 -1.14 0.00 1.33 -0.81 0.00 0.00 175.30 174.78 1mw4 n VAL 118 N 3.23 0.00 0.00 7.11 0.24 -1.26 -4.98 118.33 122.68 1mw4 n VAL 118 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1mw4 n VAL 118 Cb 0.34 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 1.30 2.33 0.00 -1.26 -5.22 120.51 115.06 1mw4 n ALA 119 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1mw4 n ALA 119 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 1mw4 n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78