#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 -0.17 -3.90 1.61 0.87 -2.08 -3.44 113.55 106.45 1mw4 h SER 2 Ca 0.00 -0.31 -0.51 0.00 -1.23 0.00 0.00 61.79 59.73 1mw4 h SER 2 Cb 0.00 0.04 0.05 0.00 -0.44 0.00 0.00 62.40 62.06 1mw4 h SER 2 CO 0.00 0.25 0.55 -2.16 -0.53 0.00 0.00 176.83 174.95 1mw4 s PRO 3 N -4.41 4.25 0.00 2.24 0.04 -1.26 -4.79 135.00 131.07 1mw4 s PRO 3 Ca -0.15 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1mw4 s PRO 3 Cb 0.02 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1mw4 s PRO 3 CO 0.59 -0.20 0.00 0.00 0.04 0.00 0.00 177.00 177.43 1mw4 n ALA 4 N 0.51 0.00 -0.43 8.56 0.00 -1.26 -5.12 120.51 122.77 1mw4 n ALA 4 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1mw4 n ALA 4 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.25 0.00 0.00 0.00 7.64 -1.26 -5.01 113.62 113.74 1mw4 n SER 5 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1mw4 n SER 5 Cb 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 2.02 -0.39 3.33 0.23 0.00 -1.26 -4.91 105.19 104.21 1mw4 n GLY 6 Ca 0.00 -2.21 -0.20 0.00 0.00 0.00 0.00 46.02 43.61 1mw4 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mw4 s THR 7 N 0.00 1.74 -0.48 2.61 -4.23 -1.26 -5.07 115.64 108.96 1mw4 s THR 7 Ca 0.00 -1.98 -0.27 0.00 -1.18 0.00 0.00 61.69 58.26 1mw4 s THR 7 Cb 0.00 -1.87 -0.08 0.00 1.34 0.00 0.00 72.50 71.90 1mw4 s THR 7 CO 0.00 -0.41 2.41 -1.54 -0.54 0.00 0.00 174.62 174.54 1mw4 n SER 8 N 0.11 2.34 -3.68 3.99 3.41 -1.26 -4.89 113.62 113.63 1mw4 n SER 8 Ca -0.12 -0.39 -0.11 0.00 -0.26 0.00 0.00 58.87 57.99 1mw4 n SER 8 Cb 0.58 -1.55 -0.11 0.00 -0.26 0.00 0.00 64.21 62.87 1mw4 n SER 8 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1mw4 s LEU 9 N 11.62 -0.21 0.15 1.04 0.20 -1.26 -5.16 118.68 125.05 1mw4 s LEU 9 Ca 1.00 0.81 0.09 0.00 0.69 0.00 0.00 54.13 56.72 1mw4 s LEU 9 Cb -0.25 1.13 -0.04 0.00 -0.43 0.00 0.00 46.19 46.60 1mw4 s LEU 9 CO 0.28 -0.21 -0.20 -0.55 -0.29 0.00 0.00 176.35 175.38 1mw4 s SER 10 N 1.92 2.76 0.53 3.68 0.15 -1.26 -4.80 113.70 116.68 1mw4 s SER 10 Ca -0.05 -0.80 0.08 0.00 0.70 0.00 0.00 55.95 55.88 1mw4 s SER 10 Cb -0.10 -0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.10 1mw4 s SER 10 CO -0.11 0.03 0.64 0.00 1.20 0.00 0.00 173.24 174.99 1mw4 s ALA 11 N -1.66 4.57 0.00 5.45 0.00 -1.26 -5.06 121.76 123.81 1mw4 s ALA 11 Ca 0.13 -1.87 0.08 0.00 0.00 0.00 0.00 51.96 50.30 1mw4 s ALA 11 Cb -0.08 -1.29 0.14 0.00 0.00 0.00 0.00 23.12 21.89 1mw4 s ALA 11 CO 0.06 -0.63 0.96 0.00 0.00 0.00 0.00 175.76 176.15 1mw4 n ALA 12 N -2.02 2.67 -1.28 0.00 0.00 -1.26 -4.98 120.51 113.63 1mw4 n ALA 12 Ca 0.10 -1.14 -0.36 0.00 0.00 0.00 0.00 53.44 52.03 1mw4 n ALA 12 Cb 0.62 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 1mw4 n ALA 12 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1mw4 n ILE 13 N 0.16 4.21 -3.83 0.00 3.06 -1.26 -4.82 119.36 116.87 1mw4 n ILE 13 Ca -0.07 -2.49 -0.13 0.00 -2.50 0.00 0.00 62.75 57.57 1mw4 n ILE 13 Cb 0.81 -2.55 -0.14 0.00 0.54 0.00 0.00 39.64 38.29 1mw4 n ILE 13 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1mw4 s HIS 14 N 2.03 -0.08 -0.00 9.51 0.09 -1.26 -5.03 115.29 120.55 1mw4 s HIS 14 Ca 0.70 0.21 0.00 0.00 -0.00 0.00 0.00 55.06 55.97 1mw4 s HIS 14 Cb 0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 32.58 32.77 1mw4 s HIS 14 CO -0.05 -0.05 0.63 2.89 -0.00 0.00 0.00 174.74 178.15 1mw4 n ARG 15 N 3.27 0.51 0.00 1.40 1.85 -1.26 -5.07 116.66 117.36 1mw4 n ARG 15 Ca -0.15 -0.73 0.00 0.00 -1.00 0.00 0.00 57.85 55.97 1mw4 n ARG 15 Cb 0.58 -0.60 0.00 0.00 -1.05 0.00 0.00 32.46 31.39 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 -0.10 0.00 -0.62 8.89 -2.24 -1.26 -5.01 114.28 113.94 1mw4 n THR 16 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 1mw4 n THR 16 Cb 0.48 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.82 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 1.91 -1.20 -0.78 -0.00 -1.26 -4.98 117.38 111.07 1mw4 n GLN 17 Ca 0.00 -2.14 -0.35 0.00 -0.00 0.00 0.00 57.00 54.51 1mw4 n GLN 17 Cb 0.00 -1.84 0.09 0.00 -0.00 0.00 0.00 30.24 28.49 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 -0.62 2.21 -3.18 2.61 4.77 -1.26 -4.98 117.00 116.55 1mw4 n LEU 18 Ca 0.42 0.58 -0.18 0.00 -0.03 0.00 0.00 56.01 56.81 1mw4 n LEU 18 Cb 1.26 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1mw4 n LEU 18 CO 0.44 -2.58 -0.23 -2.67 -1.33 0.00 0.00 177.39 171.03 1mw4 n TRP 19 N -2.75 0.18 -4.93 -1.77 2.14 -1.26 -5.08 117.44 103.98 1mw4 n TRP 19 Ca 0.11 -3.81 -0.28 0.00 2.07 0.00 0.00 57.50 55.59 1mw4 n TRP 19 Cb 0.50 -0.41 -0.17 0.00 -0.81 0.00 0.00 31.31 30.42 1mw4 n TRP 19 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1mw4 s PHE 20 N -2.43 1.98 0.04 -2.67 5.36 -1.26 -2.89 117.98 116.12 1mw4 s PHE 20 Ca 0.40 -0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 55.65 1mw4 s PHE 20 Cb 0.35 -1.35 -0.03 0.00 -0.34 0.00 0.00 43.02 41.65 1mw4 s PHE 20 CO -0.08 -0.29 -0.02 -1.58 -1.46 0.00 0.00 175.22 171.79 1mw4 s HIS 21 N 0.32 0.38 0.00 10.12 5.65 -1.17 -4.99 115.29 125.60 1mw4 s HIS 21 Ca -0.12 -0.79 0.00 0.00 0.25 0.00 0.00 55.06 54.40 1mw4 s HIS 21 Cb -0.15 -0.28 0.00 0.00 -1.18 0.00 0.00 32.58 30.96 1mw4 s HIS 21 CO 0.05 -0.30 0.00 0.41 -0.65 0.00 0.00 174.74 174.25 1mw4 n GLY 22 N 0.80 -0.04 3.55 1.59 0.00 -1.26 0.12 105.19 109.95 1mw4 n GLY 22 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 0.93 2.38 -0.22 1.61 3.52 -1.26 -3.19 118.95 122.72 1mw4 s ARG 23 Ca 0.00 0.84 -0.04 0.00 -0.13 0.00 0.00 55.73 56.39 1mw4 s ARG 23 Cb 0.00 -4.52 0.08 0.00 -1.56 0.00 0.00 34.95 28.95 1mw4 s ARG 23 CO 0.00 -3.05 0.12 -1.50 -0.81 0.00 0.00 175.30 170.06 1mw4 s ILE 24 N 10.53 -0.10 -0.72 4.11 2.07 -1.26 -4.97 121.20 130.86 1mw4 s ILE 24 Ca 0.79 -0.40 -0.14 0.00 -1.41 0.00 0.00 60.65 59.50 1mw4 s ILE 24 Cb -0.14 -0.74 -0.20 0.00 0.13 0.00 0.00 42.46 41.51 1mw4 s ILE 24 CO 0.21 -0.46 1.74 -1.54 -1.91 0.00 0.00 174.94 172.98 1mw4 n SER 25 N 5.27 -0.46 -0.15 4.50 3.41 -1.26 -4.76 113.62 120.17 1mw4 n SER 25 Ca -0.06 -0.14 -0.04 0.00 -0.26 0.00 0.00 58.87 58.36 1mw4 n SER 25 Cb 0.46 -0.52 0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1mw4 n SER 25 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1mw4 h ARG 26 N 8.28 -0.06 -0.47 4.33 1.12 -1.95 1.31 114.38 126.94 1mw4 h ARG 26 Ca -0.00 0.00 0.08 0.00 -1.11 0.00 0.00 59.98 58.96 1mw4 h ARG 26 Cb 0.88 0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.78 1mw4 h ARG 26 CO 1.09 -0.04 0.05 0.93 -3.11 0.00 0.00 179.97 178.89 1mw4 h GLU 27 N -0.07 0.17 0.00 0.20 5.08 -1.99 -1.97 114.58 116.00 1mw4 h GLU 27 Ca 0.23 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1mw4 h GLU 27 Cb 0.43 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1mw4 h GLU 27 CO -0.54 0.11 -0.61 0.93 -1.00 0.00 0.00 179.01 177.91 1mw4 h GLU 28 N 0.18 0.00 -0.95 2.33 4.39 -1.66 -3.30 114.58 115.57 1mw4 h GLU 28 Ca 0.23 0.00 0.17 0.00 0.34 0.00 0.00 59.36 60.10 1mw4 h GLU 28 Cb 0.33 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.88 1mw4 h GLU 28 CO -0.34 0.59 0.55 0.77 -1.16 0.00 0.00 179.01 179.42 1mw4 h SER 29 N 0.00 0.71 0.13 1.42 0.02 0.25 0.49 113.55 116.56 1mw4 h SER 29 Ca -0.01 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1mw4 h SER 29 Cb 1.46 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.97 1mw4 h SER 29 CO 0.08 0.28 -0.02 1.56 -1.14 0.00 0.00 176.83 177.58 1mw4 h GLN 30 N 0.74 0.00 0.09 3.45 4.20 -1.61 -0.38 115.11 121.59 1mw4 h GLN 30 Ca 0.53 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.96 1mw4 h GLN 30 Cb 0.77 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.57 1mw4 h GLN 30 CO -0.37 0.02 -1.17 -0.09 -0.67 0.00 0.00 178.83 176.55 1mw4 h ARG 31 N 0.00 0.55 0.11 1.46 9.65 -0.22 -0.84 114.38 125.10 1mw4 h ARG 31 Ca -0.00 -0.71 -0.01 0.00 -1.10 0.00 0.00 59.98 58.16 1mw4 h ARG 31 Cb 0.09 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1mw4 h ARG 31 CO 0.00 1.31 -0.05 -0.07 2.80 0.00 0.00 179.97 183.96 1mw4 h LEU 32 N 0.26 -0.12 0.00 3.80 4.07 -1.10 -3.28 115.31 118.93 1mw4 h LEU 32 Ca -0.16 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1mw4 h LEU 32 Cb 1.84 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.61 1mw4 h LEU 32 CO 0.22 0.47 0.00 -0.38 -1.08 0.00 0.00 178.44 177.66 1mw4 n ILE 33 N -4.84 0.51 -0.67 1.22 -0.00 -0.23 -2.58 119.36 112.76 1mw4 n ILE 33 Ca -0.05 0.13 0.00 0.00 -0.00 0.00 0.00 62.75 62.83 1mw4 n ILE 33 Cb 0.18 -0.81 0.30 0.00 -0.00 0.00 0.00 39.64 39.32 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 0.38 3.07 0.00 7.39 0.00 -0.32 -3.38 105.19 112.33 1mw4 n GLY 34 Ca 0.08 -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 0.22 1.92 -2.39 1.61 -0.00 -1.06 -4.95 117.38 112.72 1mw4 n GLN 35 Ca 0.30 -0.03 -0.41 0.00 -0.00 0.00 0.00 57.00 56.85 1mw4 n GLN 35 Cb 1.16 -1.20 -0.03 0.00 -0.00 0.00 0.00 30.24 30.16 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 -2.48 4.50 -0.23 2.61 -0.21 -1.22 -4.93 119.66 117.70 1mw4 s GLN 36 Ca 0.02 1.86 0.14 0.00 0.02 0.00 0.00 55.36 57.41 1mw4 s GLN 36 Cb 0.10 -3.24 0.82 0.00 1.00 0.00 0.00 33.01 31.69 1mw4 s GLN 36 CO 0.57 -0.07 1.75 0.41 -2.12 0.00 0.00 175.29 175.84 1mw4 n GLY 37 N 2.14 2.97 3.92 3.09 0.00 -1.26 -4.97 105.19 111.08 1mw4 n GLY 37 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 1mw4 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mw4 s LEU 38 N -2.69 2.63 0.00 0.99 2.01 -1.26 -5.03 118.68 115.34 1mw4 s LEU 38 Ca 0.55 0.47 -0.14 0.00 0.01 0.00 0.00 54.13 55.02 1mw4 s LEU 38 Cb 0.41 -2.71 0.18 0.00 0.01 0.00 0.00 46.19 44.09 1mw4 s LEU 38 CO 0.17 -2.37 1.09 1.33 1.01 0.00 0.00 176.35 177.58 1mw4 n VAL 39 N -3.56 0.00 -0.29 -1.59 0.24 -1.26 -4.16 118.33 107.70 1mw4 n VAL 39 Ca 0.12 -0.81 -0.06 0.00 -2.04 0.00 0.00 64.34 61.55 1mw4 n VAL 39 Cb 0.60 -1.59 -0.03 0.00 -1.47 0.00 0.00 33.84 31.35 1mw4 n VAL 39 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1mw4 n ASP 40 N -3.70 1.73 0.00 -1.34 8.00 -1.19 -2.95 116.55 117.10 1mw4 n ASP 40 Ca 0.14 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1mw4 n ASP 40 Cb 0.47 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 3.30 1.00 3.34 0.44 0.00 -1.20 -4.31 105.19 107.76 1mw4 n GLY 41 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.00 6.15 0.35 0.99 2.01 -1.15 -1.73 118.68 125.29 1mw4 s LEU 42 Ca 0.00 -2.03 0.09 0.00 0.01 0.00 0.00 54.13 52.20 1mw4 s LEU 42 Cb 0.00 -2.24 -0.07 0.00 0.01 0.00 0.00 46.19 43.89 1mw4 s LEU 42 CO 0.00 -0.83 -0.09 0.72 1.01 0.00 0.00 176.35 177.16 1mw4 s PHE 43 N 1.41 2.40 0.02 0.29 -0.12 -1.22 0.17 117.98 120.92 1mw4 s PHE 43 Ca 0.11 -0.52 -0.01 0.00 -0.05 0.00 0.00 56.93 56.47 1mw4 s PHE 43 Cb -0.21 -1.40 -0.02 0.00 -0.63 0.00 0.00 43.02 40.76 1mw4 s PHE 43 CO -0.01 0.57 -0.02 -1.17 -0.05 0.00 0.00 175.22 174.54 1mw4 s LEU 44 N -3.61 2.18 -0.99 -1.99 2.96 0.34 -3.73 118.68 113.84 1mw4 s LEU 44 Ca 0.33 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1mw4 s LEU 44 Cb 0.03 0.14 0.26 0.00 0.50 0.00 0.00 46.19 47.12 1mw4 s LEU 44 CO 0.16 -0.29 1.02 0.52 -1.32 0.00 0.00 176.35 176.45 1mw4 n VAL 45 N 1.67 3.92 -3.46 1.68 0.31 -1.14 0.15 118.33 121.46 1mw4 n VAL 45 Ca -0.23 -5.36 -0.20 0.00 -0.01 0.00 0.00 64.34 58.53 1mw4 n VAL 45 Cb 0.55 -2.38 -0.02 0.00 -0.91 0.00 0.00 33.84 31.08 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 -1.68 2.57 0.00 5.55 1.70 -0.30 -3.05 118.95 123.74 1mw4 s ARG 46 Ca 0.30 -1.50 0.00 0.00 -0.47 0.00 0.00 55.73 54.06 1mw4 s ARG 46 Cb -0.04 -2.44 0.00 0.00 -0.57 0.00 0.00 34.95 31.89 1mw4 s ARG 46 CO -0.06 -0.23 0.00 -0.85 -1.08 0.00 0.00 175.30 173.07 1mw4 n GLU 47 N -1.62 0.00 -3.88 3.89 0.28 0.33 0.16 120.64 119.79 1mw4 n GLU 47 Ca 0.04 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.93 1mw4 n GLU 47 Cb 0.61 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.35 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 1.09 0.03 -0.07 -1.84 1.04 0.43 -3.98 113.70 110.41 1mw4 s SER 48 Ca 0.00 -0.06 0.18 0.00 0.48 0.00 0.00 55.95 56.55 1mw4 s SER 48 Cb 0.00 0.03 0.65 0.00 0.10 0.00 0.00 66.02 66.80 1mw4 s SER 48 CO 0.00 -0.05 1.55 0.00 0.98 0.00 0.00 173.24 175.71 1mw4 n GLN 49 N 2.83 3.19 -0.10 4.02 -0.00 -1.26 -4.05 117.38 122.00 1mw4 n GLN 49 Ca -0.14 -2.59 -0.15 0.00 -0.00 0.00 0.00 57.00 54.13 1mw4 n GLN 49 Cb 0.59 -1.73 -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 1.22 0.51 -2.75 2.61 3.00 -1.26 -4.94 116.66 115.05 1mw4 n ARG 50 Ca 0.24 0.12 -0.42 0.00 -0.00 0.00 0.00 57.85 57.79 1mw4 n ARG 50 Cb 0.74 -1.40 -0.03 0.00 0.00 0.00 0.00 32.46 31.77 1mw4 n ARG 50 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1mw4 s ASN 51 N -6.04 7.26 0.50 6.15 0.02 -1.26 -4.90 114.94 116.66 1mw4 s ASN 51 Ca -0.28 1.53 0.37 0.00 -1.02 0.00 0.00 52.86 53.47 1mw4 s ASN 51 Cb 0.07 -2.54 1.53 0.00 0.02 0.00 0.00 41.25 40.33 1mw4 s ASN 51 CO 0.47 -0.32 1.67 -0.65 0.02 0.00 0.00 177.10 178.29 1mw4 h PRO 52 N 6.93 0.06 -1.98 -0.60 0.11 -1.92 -1.64 132.00 132.97 1mw4 h PRO 52 Ca -0.37 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.19 1mw4 h PRO 52 Cb 1.19 -0.01 -0.39 0.00 0.11 0.00 0.00 31.00 31.89 1mw4 h PRO 52 CO 0.79 0.04 -1.11 0.00 -0.21 0.00 0.00 178.00 177.51 1mw4 n GLN 53 N -4.32 0.74 -2.80 1.05 10.64 -1.26 -5.04 117.38 116.40 1mw4 n GLN 53 Ca 0.35 -3.22 -0.41 0.00 -1.83 0.00 0.00 57.00 51.89 1mw4 n GLN 53 Cb 1.52 -1.27 0.01 0.00 -0.86 0.00 0.00 30.24 29.65 1mw4 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1mw4 n GLY 54 N 1.29 5.76 3.59 2.61 0.00 -0.62 -4.46 105.19 113.36 1mw4 n GLY 54 Ca 0.21 -2.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.22 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 -3.72 3.23 0.18 1.61 0.40 -1.26 0.16 117.98 118.58 1mw4 s PHE 55 Ca 0.36 0.23 0.09 0.00 -0.60 0.00 0.00 56.93 57.01 1mw4 s PHE 55 Cb 0.14 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1mw4 s PHE 55 CO -0.04 -0.20 -0.18 0.54 0.70 0.00 0.00 175.22 176.04 1mw4 s VAL 56 N 1.90 1.86 -0.18 -0.44 0.11 0.12 -3.56 120.40 120.22 1mw4 s VAL 56 Ca 0.10 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.16 1mw4 s VAL 56 Cb -0.16 -1.91 0.04 0.00 -1.53 0.00 0.00 36.38 32.81 1mw4 s VAL 56 CO 0.11 -0.36 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.18 1mw4 s LEU 57 N -2.83 2.00 -0.13 2.54 0.20 0.04 -1.15 118.68 119.35 1mw4 s LEU 57 Ca 0.18 -0.73 -0.10 0.00 0.69 0.00 0.00 54.13 54.18 1mw4 s LEU 57 Cb -0.05 -1.17 -0.05 0.00 -0.43 0.00 0.00 46.19 44.49 1mw4 s LEU 57 CO 0.07 -0.12 0.20 -0.44 -0.29 0.00 0.00 176.35 175.77 1mw4 s SER 58 N 1.46 6.42 0.42 3.68 0.01 0.40 0.15 113.70 126.24 1mw4 s SER 58 Ca 0.01 0.49 0.08 0.00 1.31 0.00 0.00 55.95 57.84 1mw4 s SER 58 Cb -0.15 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 1mw4 s SER 58 CO -0.09 0.30 0.43 -0.76 0.41 0.00 0.00 173.24 173.54 1mw4 s LEU 59 N -0.53 3.47 -0.39 2.44 2.01 -0.75 0.13 118.68 125.06 1mw4 s LEU 59 Ca 0.15 -0.65 0.03 0.00 0.01 0.00 0.00 54.13 53.66 1mw4 s LEU 59 Cb -0.13 -2.23 0.16 0.00 0.01 0.00 0.00 46.19 44.01 1mw4 s LEU 59 CO 0.04 -0.69 0.30 0.00 1.01 0.00 0.00 176.35 177.02 1mw4 s HIS 61 N 0.49 3.43 -0.54 0.00 5.04 -0.14 -3.19 115.29 120.38 1mw4 s HIS 61 Ca 0.27 0.75 -0.02 0.00 -1.54 0.00 0.00 55.06 54.52 1mw4 s HIS 61 Cb -0.06 -2.50 0.24 0.00 0.04 0.00 0.00 32.58 30.30 1mw4 s HIS 61 CO -0.12 -0.52 2.28 1.47 -2.34 0.00 0.00 174.74 175.51 1mw4 n LEU 62 N -2.41 6.94 0.00 8.88 -0.00 -1.26 -3.14 117.00 126.01 1mw4 n LEU 62 Ca 0.02 -4.06 0.00 0.00 -0.00 0.00 0.00 56.01 51.97 1mw4 n LEU 62 Cb 0.56 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 1mw4 n LEU 62 CO 0.53 1.55 0.00 0.00 -0.00 0.00 0.00 177.39 179.47 1mw4 n GLN 63 N 0.09 0.00 -0.68 1.47 1.13 -1.26 -5.07 117.38 113.06 1mw4 n GLN 63 Ca 0.48 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 1mw4 n GLN 63 Cb 0.52 -0.16 0.00 0.00 0.11 0.00 0.00 30.24 30.71 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 -1.74 0.00 -3.89 -1.09 -0.00 -1.19 -5.18 118.16 105.07 1mw4 n LYS 64 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1mw4 n LYS 64 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 34.90 1mw4 n LYS 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1mw4 s VAL 65 N -2.50 0.02 0.10 0.58 -7.23 -1.26 -0.97 120.40 109.15 1mw4 s VAL 65 Ca 0.00 -0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 1mw4 s VAL 65 Cb 0.00 -0.07 -0.01 0.00 0.56 0.00 0.00 36.38 36.86 1mw4 s VAL 65 CO 0.00 -0.10 0.09 2.29 -0.31 0.00 0.00 175.10 177.07 1mw4 n LYS 66 N 2.78 0.13 -4.17 4.82 2.85 -1.18 -4.89 118.16 118.50 1mw4 n LYS 66 Ca -0.14 -1.01 -0.16 0.00 -1.05 0.00 0.00 58.31 55.95 1mw4 n LYS 66 Cb 0.59 0.83 -0.12 0.00 -0.65 0.00 0.00 35.03 35.68 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 -2.52 0.90 -0.70 5.58 3.76 -1.26 -1.81 115.29 119.23 1mw4 s HIS 67 Ca 0.12 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.68 1mw4 s HIS 67 Cb 0.01 -0.53 0.17 0.00 1.11 0.00 0.00 32.58 33.34 1mw4 s HIS 67 CO 0.08 -0.01 0.51 0.66 -0.85 0.00 0.00 174.74 175.13 1mw4 n TYR 68 N 1.73 3.24 -3.67 1.40 4.02 0.41 -4.82 117.16 119.46 1mw4 n TYR 68 Ca -0.20 -4.30 -0.25 0.00 -0.01 0.00 0.00 57.90 53.14 1mw4 n TYR 68 Cb 0.55 -0.61 -0.17 0.00 -0.02 0.00 0.00 39.34 39.08 1mw4 n TYR 68 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1mw4 s LEU 69 N -1.52 0.52 0.00 7.72 1.98 -1.24 -0.78 118.68 125.37 1mw4 s LEU 69 Ca 0.26 -0.45 0.00 0.00 -2.89 0.00 0.00 54.13 51.04 1mw4 s LEU 69 Cb -0.03 -0.33 0.00 0.00 0.66 0.00 0.00 46.19 46.49 1mw4 s LEU 69 CO -0.16 -0.30 0.00 -0.38 -1.89 0.00 0.00 176.35 173.62 1mw4 n ILE 70 N 5.21 0.00 -3.75 6.68 2.08 -1.23 -4.84 119.36 123.51 1mw4 n ILE 70 Ca -0.07 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.09 1mw4 n ILE 70 Cb 0.49 -0.06 -0.16 0.00 -0.75 0.00 0.00 39.64 39.16 1mw4 n ILE 70 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1mw4 s LEU 71 N -3.28 0.79 0.00 1.39 1.43 -1.09 -4.89 118.68 113.03 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 0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.28 1mw4 s LEU 71 CO 0.00 -0.16 0.00 -0.81 0.23 0.00 0.00 176.35 175.61 1mw4 n PRO 72 N 4.40 0.00 -3.36 1.29 -0.04 -1.26 -1.72 135.00 134.31 1mw4 n PRO 72 Ca -0.23 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.85 1mw4 n PRO 72 Cb 0.50 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.89 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 6.48 0.49 3.54 0.15 -1.25 -0.51 113.70 121.59 1mw4 s SER 73 Ca 0.00 0.56 0.03 0.00 0.70 0.00 0.00 55.95 57.25 1mw4 s SER 73 Cb 0.00 -2.25 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1mw4 s SER 73 CO 0.00 -0.09 0.08 -1.61 1.20 0.00 0.00 173.24 172.82 1mw4 s GLU 74 N 1.32 2.17 -0.22 5.44 8.01 -1.13 -5.01 118.70 129.28 1mw4 s GLU 74 Ca 0.20 -2.24 0.11 0.00 0.01 0.00 0.00 54.97 53.06 1mw4 s GLU 74 Cb -0.15 -1.68 0.70 0.00 -4.31 0.00 0.00 34.13 28.69 1mw4 s GLU 74 CO 0.08 -0.32 1.60 0.39 0.01 0.00 0.00 175.26 177.03 1mw4 n GLU 75 N -1.29 4.21 0.00 1.61 -0.58 -1.26 -3.38 120.64 119.95 1mw4 n GLU 75 Ca -0.12 -2.73 0.01 0.00 -0.42 0.00 0.00 57.16 53.90 1mw4 n GLU 75 Cb 0.66 -2.16 -0.01 0.00 -0.57 0.00 0.00 31.44 29.37 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 0.42 4.69 0.00 3.49 2.13 -1.26 -5.08 120.64 125.02 1mw4 n GLU 76 Ca 0.27 -0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1mw4 n GLU 76 Cb 1.12 -0.70 0.00 0.00 0.27 0.00 0.00 31.44 32.12 1mw4 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mw4 n GLY 77 N 0.84 0.40 0.00 8.31 0.00 -1.22 -5.16 105.19 108.35 1mw4 n GLY 77 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1mw4 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mw4 n ARG 78 N 0.00 0.00 -2.29 1.61 5.12 -1.25 -4.35 116.66 115.49 1mw4 n ARG 78 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 1mw4 n ARG 78 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 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 3.92 -0.21 0.55 1.43 -0.99 -2.82 118.68 120.57 1mw4 s LEU 79 Ca 0.00 1.43 -0.21 0.00 -1.03 0.00 0.00 54.13 54.32 1mw4 s LEU 79 Cb 0.00 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1mw4 s LEU 79 CO 0.00 -1.12 0.64 -0.31 0.23 0.00 0.00 176.35 175.79 1mw4 s TYR 80 N 4.63 3.36 -0.01 0.29 1.51 0.33 0.82 117.35 128.28 1mw4 s TYR 80 Ca 0.63 0.93 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 1mw4 s TYR 80 Cb -0.21 -2.82 0.01 0.00 -0.11 0.00 0.00 41.96 38.83 1mw4 s TYR 80 CO 0.25 -0.21 0.00 -0.06 -1.11 0.00 0.00 175.55 174.42 1mw4 s PHE 81 N 2.06 0.05 -0.15 2.71 0.40 -1.26 -2.68 117.98 119.11 1mw4 s PHE 81 Ca 0.29 0.02 0.15 0.00 -0.60 0.00 0.00 56.93 56.79 1mw4 s PHE 81 Cb -0.16 -0.09 0.33 0.00 0.51 0.00 0.00 43.02 43.62 1mw4 s PHE 81 CO 0.10 -0.02 1.21 -1.13 0.70 0.00 0.00 175.22 176.08 1mw4 n SER 82 N 3.35 -0.04 -3.26 1.36 3.41 -0.83 -2.23 113.62 115.39 1mw4 n SER 82 Ca -0.16 -2.06 -0.02 0.00 -0.26 0.00 0.00 58.87 56.37 1mw4 n SER 82 Cb 0.57 0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.44 1.07 -0.26 4.33 0.00 0.12 -4.63 117.12 117.31 1mw4 n MET 83 Ca -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 57.70 57.50 1mw4 n MET 83 Cb 0.88 -0.45 0.05 0.00 0.00 0.00 0.00 33.22 33.70 1mw4 n MET 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1mw4 h ASP 84 N -1.62 -1.00 -0.30 3.17 5.19 -2.01 -3.06 116.42 116.79 1mw4 h ASP 84 Ca -0.03 0.24 -0.24 0.00 -0.62 0.00 0.00 57.03 56.39 1mw4 h ASP 84 Cb 0.09 0.56 -0.36 0.00 0.18 0.00 0.00 39.33 39.80 1mw4 h ASP 84 CO 0.02 -0.28 -1.00 -0.67 -3.12 0.00 0.00 179.24 174.19 1mw4 n ASP 85 N -5.48 1.84 -3.55 6.45 2.03 -1.26 -5.01 116.55 111.57 1mw4 n ASP 85 Ca 0.08 -2.41 -0.28 0.00 0.52 0.00 0.00 54.79 52.70 1mw4 n ASP 85 Cb 0.38 -0.41 -0.15 0.00 -0.72 0.00 0.00 41.12 40.22 1mw4 n ASP 85 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1mw4 s GLY 86 N -3.16 0.44 -0.64 0.27 0.00 -1.16 -4.96 107.32 98.11 1mw4 s GLY 86 Ca 0.33 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 44.23 1mw4 s GLY 86 CO -0.07 2.01 0.86 0.61 0.00 0.00 0.00 173.10 176.51 1mw4 n GLN 87 N 5.26 2.91 -0.92 2.90 0.00 -1.25 0.14 117.38 126.41 1mw4 n GLN 87 Ca -0.06 -4.74 -0.06 0.00 0.00 0.00 0.00 57.00 52.14 1mw4 n GLN 87 Cb 0.44 -2.27 0.26 0.00 0.00 0.00 0.00 30.24 28.67 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 0.46 2.80 -0.62 -0.39 -2.24 -0.95 -4.92 114.28 108.43 1mw4 n THR 88 Ca 0.31 -1.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.14 1mw4 n THR 88 Cb 0.40 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.57 0.00 -3.51 -0.78 1.85 -1.04 -4.63 116.66 107.99 1mw4 n ARG 89 Ca 0.39 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 57.11 1mw4 n ARG 89 Cb 1.29 -0.95 -0.05 0.00 -1.05 0.00 0.00 32.46 31.70 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 2.65 -0.66 -1.24 2.89 7.35 0.24 -3.96 117.46 124.73 1mw4 n PHE 90 Ca 0.00 -1.91 -0.37 0.00 -0.76 0.00 0.00 57.45 54.41 1mw4 n PHE 90 Cb 0.07 0.24 -0.03 0.00 0.35 0.00 0.00 39.48 40.11 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 -0.44 2.91 0.10 -2.13 -1.04 -1.26 -2.35 114.28 110.07 1mw4 n THR 91 Ca 0.05 -2.14 0.20 0.00 -2.04 0.00 0.00 64.05 60.11 1mw4 n THR 91 Cb 0.42 -2.41 0.71 0.00 -1.82 0.00 0.00 70.33 67.23 1mw4 n THR 91 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1mw4 h ASP 92 N 6.43 0.00 -0.09 8.00 1.82 -1.87 -3.09 116.42 127.61 1mw4 h ASP 92 Ca 0.57 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 57.22 1mw4 h ASP 92 Cb 0.46 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1mw4 h ASP 92 CO 1.79 0.00 -0.05 -0.11 -1.61 0.00 0.00 179.24 179.25 1mw4 n LEU 93 N -3.51 -0.10 -0.25 2.28 7.94 -1.26 0.21 117.00 122.31 1mw4 n LEU 93 Ca 0.07 1.06 0.01 0.00 -1.11 0.00 0.00 56.01 56.04 1mw4 n LEU 93 Cb 0.68 -0.47 0.13 0.00 0.53 0.00 0.00 43.42 44.29 1mw4 n LEU 93 CO 0.24 -0.58 1.09 0.25 -1.11 0.00 0.00 177.39 177.29 1mw4 h LEU 94 N 0.00 0.55 -0.74 -1.96 7.12 -1.97 -1.60 115.31 116.71 1mw4 h LEU 94 Ca 0.01 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1mw4 h LEU 94 Cb 0.04 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.07 1mw4 h LEU 94 CO -0.08 0.33 0.47 -0.61 -0.13 0.00 0.00 178.44 178.42 1mw4 h GLN 95 N 0.68 0.99 -0.19 1.25 4.15 -1.18 -2.89 115.11 117.91 1mw4 h GLN 95 Ca 0.34 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.74 1mw4 h GLN 95 Cb 0.29 -0.22 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 1mw4 h GLN 95 CO -0.23 0.68 -0.36 1.25 -1.93 0.00 0.00 178.83 178.24 1mw4 h LEU 96 N 1.01 -1.14 -0.13 -2.39 5.85 0.35 0.98 115.31 119.84 1mw4 h LEU 96 Ca 0.27 0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.17 1mw4 h LEU 96 Cb -0.08 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1mw4 h LEU 96 CO -0.05 -0.37 -0.25 0.58 -0.34 0.00 0.00 178.44 178.00 1mw4 h VAL 97 N -0.40 0.00 0.19 1.05 2.07 -1.29 1.30 116.25 119.17 1mw4 h VAL 97 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1mw4 h VAL 97 Cb 0.57 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1mw4 h VAL 97 CO -0.41 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 177.01 1mw4 h GLU 98 N -0.22 -0.24 0.00 1.57 4.81 -1.48 -3.01 114.58 116.02 1mw4 h GLU 98 Ca 0.02 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1mw4 h GLU 98 Cb 0.28 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1mw4 h GLU 98 CO -0.23 0.12 0.00 1.19 -0.73 0.00 0.00 179.01 179.35 1mw4 n PHE 99 N -5.03 0.00 -0.22 0.92 3.01 0.34 -3.17 117.46 113.30 1mw4 n PHE 99 Ca -0.09 0.00 0.24 0.00 1.01 0.00 0.00 57.45 58.61 1mw4 n PHE 99 Cb 0.24 -0.07 0.61 0.00 -0.01 0.00 0.00 39.48 40.26 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 0.31 -0.04 1.38 2.07 0.18 1.16 115.15 120.21 1mw4 h HIS 100 Ca 0.00 0.01 -0.13 0.00 -2.85 0.00 0.00 60.37 57.40 1mw4 h HIS 100 Cb 0.03 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 29.90 1mw4 h HIS 100 CO 0.00 0.07 -0.59 -0.56 -3.07 0.00 0.00 177.93 173.78 1mw4 h GLN 101 N 0.22 0.12 -0.98 5.12 3.07 -1.78 -3.09 115.11 117.80 1mw4 h GLN 101 Ca 0.46 -0.08 -0.37 0.00 0.09 0.00 0.00 58.65 58.75 1mw4 h GLN 101 Cb 1.46 0.01 -0.27 0.00 0.08 0.00 0.00 27.48 28.76 1mw4 h GLN 101 CO -0.11 0.68 -0.80 -0.11 0.09 0.00 0.00 178.83 178.57 1mw4 n LEU 102 N -3.86 -1.09 -4.36 0.06 -0.00 0.25 -4.73 117.00 103.27 1mw4 n LEU 102 Ca -0.02 -4.17 -0.28 0.00 -0.00 0.00 0.00 56.01 51.54 1mw4 n LEU 102 Cb 0.60 0.79 -0.13 0.00 -0.00 0.00 0.00 43.42 44.68 1mw4 n LEU 102 CO 0.43 2.11 -0.56 0.54 -0.00 0.00 0.00 177.39 179.91 1mw4 s ASN 103 N -1.65 3.13 -0.71 1.96 6.03 0.33 -4.88 114.94 119.16 1mw4 s ASN 103 Ca 0.32 -0.71 -0.15 0.00 -1.03 0.00 0.00 52.86 51.29 1mw4 s ASN 103 Cb 0.26 -0.21 -0.12 0.00 -3.03 0.00 0.00 41.25 38.15 1mw4 s ASN 103 CO -0.12 0.17 1.90 0.54 -2.03 0.00 0.00 177.10 177.55 1mw4 n ARG 104 N 1.08 1.49 0.00 3.55 3.00 -1.26 -3.92 116.66 120.60 1mw4 n ARG 104 Ca -0.18 -1.54 0.00 0.00 -0.01 0.00 0.00 57.85 56.12 1mw4 n ARG 104 Cb 0.53 -2.65 0.00 0.00 0.00 0.00 0.00 32.46 30.34 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 4.24 -2.59 3.84 -0.13 0.00 -1.02 -4.79 105.19 104.74 1mw4 n GLY 105 Ca 0.44 0.33 -0.21 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.67 4.04 0.58 -0.61 -1.16 -1.26 -5.03 121.20 117.09 1mw4 s ILE 106 Ca 0.00 -1.38 -0.11 0.00 -0.51 0.00 0.00 60.65 58.65 1mw4 s ILE 106 Cb 0.00 -3.31 -0.10 0.00 0.61 0.00 0.00 42.46 39.66 1mw4 s ILE 106 CO 0.00 -0.27 -0.44 0.18 -2.81 0.00 0.00 174.94 171.60 1mw4 n LEU 107 N -1.28 -3.60 -1.91 8.50 4.32 -1.26 -3.94 117.00 117.83 1mw4 n LEU 107 Ca -0.05 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1mw4 n LEU 107 Cb 0.59 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1mw4 n LEU 107 CO 0.43 -3.73 0.44 -2.65 -1.22 0.00 0.00 177.39 170.66 1mw4 n PRO 108 N 1.49 0.00 0.00 3.23 -0.02 -1.26 -4.65 135.00 133.78 1mw4 n PRO 108 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1mw4 n PRO 108 Cb 0.35 -0.48 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 1mw4 n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mw4 n LEU 110 N 0.00 3.14 -0.61 0.00 7.99 -1.26 -4.70 117.00 121.56 1mw4 n LEU 110 Ca 0.00 -2.46 0.49 0.00 -0.01 0.00 0.00 56.01 54.03 1mw4 n LEU 110 Cb 0.00 -0.92 0.80 0.00 -0.11 0.00 0.00 43.42 43.19 1mw4 n LEU 110 CO 0.00 -0.84 1.44 0.17 -1.51 0.00 0.00 177.39 176.65 1mw4 h LEU 111 N 14.90 0.02 -9.58 2.23 -0.00 -1.81 -3.38 115.31 117.70 1mw4 h LEU 111 Ca 0.37 0.01 -0.53 0.00 -0.00 0.00 0.00 57.88 57.74 1mw4 h LEU 111 Cb 0.66 0.01 0.04 0.00 -0.00 0.00 0.00 40.66 41.37 1mw4 h LEU 111 CO 1.97 -0.02 0.87 -0.13 -0.00 0.00 0.00 178.44 181.14 1mw4 s ARG 112 N -4.91 4.23 0.24 0.17 0.52 -1.25 -2.44 118.95 115.50 1mw4 s ARG 112 Ca -0.05 2.31 0.01 0.00 -0.52 0.00 0.00 55.73 57.49 1mw4 s ARG 112 Cb 0.26 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 1mw4 s ARG 112 CO 0.87 -0.60 0.17 -3.38 0.02 0.00 0.00 175.30 172.39 1mw4 s HIS 113 N 1.31 1.34 0.00 -0.53 -3.43 -1.17 -3.72 115.29 109.09 1mw4 s HIS 113 Ca 0.70 -1.45 0.00 0.00 -0.80 0.00 0.00 55.06 53.51 1mw4 s HIS 113 Cb -0.42 -0.62 0.00 0.00 -1.43 0.00 0.00 32.58 30.11 1mw4 s HIS 113 CO 0.31 -0.69 0.00 0.00 -2.00 0.00 0.00 174.74 172.36 1mw4 s THR 116 N -1.46 5.26 -0.75 0.00 2.01 -1.24 -3.41 115.64 116.05 1mw4 s THR 116 Ca 0.00 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.09 1mw4 s THR 116 Cb 0.00 -3.85 0.24 0.00 0.01 0.00 0.00 72.50 68.90 1mw4 s THR 116 CO 0.00 -0.31 0.80 -1.14 -0.69 0.00 0.00 174.62 173.28 1mw4 n ARG 117 N -1.33 2.67 0.02 4.92 3.00 -1.26 -4.78 116.66 119.90 1mw4 n ARG 117 Ca -0.09 -4.60 0.00 0.00 -0.00 0.00 0.00 57.85 53.16 1mw4 n ARG 117 Cb 0.57 -2.32 0.00 0.00 0.00 0.00 0.00 32.46 30.71 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 1.31 0.00 -0.79 5.15 0.24 -1.26 -4.98 118.33 118.00 1mw4 n VAL 118 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 1mw4 n VAL 118 Cb 0.38 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 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 -5.29 120.51 113.69 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