#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mww s ILE 2 N 0.00 4.68 -0.01 1.12 1.09 -0.46 -3.77 121.20 123.85 1mww s ILE 2 Ca 0.00 -0.10 0.07 0.00 -1.10 0.00 0.00 60.65 59.51 1mww s ILE 2 Cb 0.00 -3.01 -0.02 0.00 -1.06 0.00 0.00 42.46 38.38 1mww s ILE 2 CO 0.00 0.59 -0.21 -0.89 -0.10 0.00 0.00 174.94 174.33 1mww s THR 3 N -0.75 1.66 -0.17 2.92 2.01 -0.27 -0.69 115.64 120.35 1mww s THR 3 Ca 0.12 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1mww s THR 3 Cb -0.12 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.02 1mww s THR 3 CO 0.03 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.54 1mww s VAL 4 N -0.51 2.38 -0.05 3.82 1.01 0.51 -0.65 120.40 126.91 1mww s VAL 4 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1mww s VAL 4 Cb -0.08 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1mww s VAL 4 CO -0.01 0.52 -0.02 -0.36 0.00 0.00 0.00 175.10 175.24 1mww s PHE 5 N 1.06 3.07 -0.21 5.22 0.40 0.66 -0.93 117.98 127.25 1mww s PHE 5 Ca -0.01 0.11 -0.34 0.00 -0.60 0.00 0.00 56.93 56.08 1mww s PHE 5 Cb -0.14 -1.72 0.15 0.00 0.51 0.00 0.00 43.02 41.81 1mww s PHE 5 CO -0.05 0.44 1.24 0.20 0.70 0.00 0.00 175.22 177.74 1mww s GLY 6 N -1.15 -0.23 0.23 4.36 0.00 -1.00 -1.42 107.32 108.11 1mww s GLY 6 Ca 0.16 1.84 -0.32 0.00 0.00 0.00 0.00 44.72 46.40 1mww s GLY 6 CO 0.05 0.66 1.58 1.04 0.00 0.00 0.00 173.10 176.44 1mww n LEU 7 N 0.06 3.69 -0.24 0.66 4.77 -1.26 -0.79 117.00 123.88 1mww n LEU 7 Ca 0.00 1.11 0.05 0.00 -0.03 0.00 0.00 56.01 57.15 1mww n LEU 7 Cb 0.58 -1.51 0.30 0.00 -2.33 0.00 0.00 43.42 40.45 1mww n LEU 7 CO 0.09 -0.09 1.23 0.50 -1.33 0.00 0.00 177.39 177.80 1mww h LYS 8 N 5.43 0.86 -0.83 3.23 3.64 -0.91 0.00 116.57 128.00 1mww h LYS 8 Ca -0.45 -0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1mww h LYS 8 Cb 1.24 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.78 1mww h LYS 8 CO 0.85 0.57 0.45 0.66 -2.27 0.00 0.00 179.45 179.71 1mww h SER 9 N 0.89 0.59 0.33 4.20 4.64 -1.89 0.54 113.55 122.85 1mww h SER 9 Ca 0.35 0.07 -0.32 0.00 -0.47 0.00 0.00 61.79 61.42 1mww h SER 9 Cb 0.24 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1mww h SER 9 CO -0.13 0.30 -1.88 0.29 -0.87 0.00 0.00 176.83 174.55 1mww n LYS 10 N -4.81 0.67 0.05 4.77 4.76 -0.97 -4.49 118.16 118.15 1mww n LYS 10 Ca 0.15 0.25 -0.13 0.00 -2.87 0.00 0.00 58.31 55.72 1mww n LYS 10 Cb 0.35 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 31.67 1mww n LYS 10 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1mww h LEU 11 N 0.02 0.21 -0.41 -0.35 5.85 -0.91 -3.38 115.31 116.35 1mww h LEU 11 Ca -0.36 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.16 1mww h LEU 11 Cb 2.04 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.91 1mww h LEU 11 CO 0.07 1.24 -0.16 0.00 -0.34 0.00 0.00 178.44 179.25 1mww h ALA 12 N 0.73 0.18 -0.00 1.25 0.00 -1.08 -0.76 119.26 119.57 1mww h ALA 12 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mww h ALA 12 Cb 1.94 0.41 0.00 0.00 0.00 0.00 0.00 17.79 20.14 1mww h ALA 12 CO 0.14 -0.51 0.00 -0.35 0.00 0.00 0.00 179.25 178.53 1mww n PRO 13 N -5.35 1.04 -0.06 0.00 -0.04 -1.26 -3.46 135.00 125.86 1mww n PRO 13 Ca 0.02 -0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.52 1mww n PRO 13 Cb 0.26 -1.42 0.12 0.00 -0.04 0.00 0.00 33.50 32.42 1mww n PRO 13 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mww n ARG 14 N -0.85 1.87 0.14 0.54 1.74 -0.30 -4.72 116.66 115.08 1mww n ARG 14 Ca 0.20 -1.80 -0.13 0.00 -0.77 0.00 0.00 57.85 55.35 1mww n ARG 14 Cb 0.11 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 1mww n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mww h ARG 15 N 3.71 -0.39 -0.91 5.56 3.08 -1.56 -1.46 114.38 122.40 1mww h ARG 15 Ca 0.00 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1mww h ARG 15 Cb 0.82 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.91 1mww h ARG 15 CO 0.00 -0.26 0.60 1.49 -1.07 0.00 0.00 179.97 180.73 1mww h GLU 16 N -0.40 1.16 -0.23 0.04 4.81 -1.88 -0.91 114.58 117.17 1mww h GLU 16 Ca -0.00 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 1mww h GLU 16 Cb 0.37 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1mww h GLU 16 CO -0.04 0.77 -0.48 -0.22 -0.73 0.00 0.00 179.01 178.31 1mww h LYS 17 N 1.19 0.73 -0.85 1.92 1.63 -1.88 -2.11 116.57 117.20 1mww h LYS 17 Ca 0.35 -0.48 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 1mww h LYS 17 Cb -0.07 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 1mww h LYS 17 CO -0.10 1.10 0.44 -0.07 -3.45 0.00 0.00 179.45 177.38 1mww h LEU 18 N 0.45 1.08 -0.27 5.20 3.38 -1.01 0.15 115.31 124.30 1mww h LEU 18 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1mww h LEU 18 Cb 1.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1mww h LEU 18 CO 0.11 0.89 0.18 0.00 0.09 0.00 0.00 178.44 179.70 1mww h ALA 19 N 1.24 0.34 -0.60 1.53 0.00 -1.01 -0.53 119.26 120.23 1mww h ALA 19 Ca 0.30 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1mww h ALA 19 Cb 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1mww h ALA 19 CO -0.04 -0.19 0.35 1.49 0.00 0.00 0.00 179.25 180.86 1mww h GLU 20 N 0.36 0.67 -0.53 0.00 4.81 -0.82 0.56 114.58 119.63 1mww h GLU 20 Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1mww h GLU 20 Cb -0.04 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1mww h GLU 20 CO -0.02 0.44 0.31 0.28 -0.73 0.00 0.00 179.01 179.29 1mww h VAL 21 N 0.69 1.17 -0.18 0.32 2.07 -0.32 0.19 116.25 120.18 1mww h VAL 21 Ca 0.25 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 1mww h VAL 21 Cb 0.07 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1mww h VAL 21 CO -0.12 0.17 -0.33 0.40 0.02 0.00 0.00 177.57 177.71 1mww h ILE 22 N 0.71 1.34 -0.37 4.57 2.04 -0.76 -0.50 117.51 124.55 1mww h ILE 22 Ca 0.19 -1.57 0.03 0.00 1.00 0.00 0.00 64.86 64.51 1mww h ILE 22 Cb 0.01 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1mww h ILE 22 CO -0.03 0.48 0.25 1.88 0.00 0.00 0.00 178.15 180.72 1mww h TYR 23 N 0.19 0.36 -0.09 1.37 0.99 -0.76 0.12 116.97 119.15 1mww h TYR 23 Ca 0.01 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.67 1mww h TYR 23 Cb 0.93 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.54 1mww h TYR 23 CO 0.09 0.21 -0.26 -0.97 -0.00 0.00 0.00 178.16 177.23 1mww h ASN 24 N 0.37 0.38 0.58 3.88 -0.73 -0.23 -2.54 115.58 117.29 1mww h ASN 24 Ca 0.15 -0.60 -0.07 0.00 1.87 0.00 0.00 56.30 57.65 1mww h ASN 24 Cb 0.15 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 1mww h ASN 24 CO -0.03 0.92 -0.33 0.28 -0.37 0.00 0.00 177.43 177.89 1mww h SER 25 N -0.14 0.00 -0.09 1.15 0.02 -0.77 0.30 113.55 114.02 1mww h SER 25 Ca -0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1mww h SER 25 Cb 0.88 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1mww h SER 25 CO 0.06 0.33 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.50 1mww h LEU 26 N 0.00 0.73 0.49 5.07 3.38 -0.71 0.20 115.31 124.47 1mww h LEU 26 Ca -0.00 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1mww h LEU 26 Cb 0.71 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1mww h LEU 26 CO 0.04 1.10 -0.24 -0.74 0.09 0.00 0.00 178.44 178.70 1mww h HIS 27 N 0.52 -0.61 0.00 1.13 2.76 -1.16 0.13 115.15 117.92 1mww h HIS 27 Ca 0.02 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1mww h HIS 27 Cb 1.06 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 30.22 1mww h HIS 27 CO 0.05 -0.38 -0.12 1.25 -1.30 0.00 0.00 177.93 177.44 1mww h LEU 28 N -1.06 0.00 0.00 0.26 7.12 -1.04 0.56 115.31 121.15 1mww h LEU 28 Ca -0.07 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.75 1mww h LEU 28 Cb 0.50 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.60 1mww h LEU 28 CO 0.11 0.12 -2.18 0.61 -0.13 0.00 0.00 178.44 176.96 1mww n GLY 29 N -1.17 -0.98 0.00 3.75 0.00 0.71 -4.65 105.19 102.85 1mww n GLY 29 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1mww n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mww n LEU 30 N -2.51 0.50 -0.02 0.99 4.32 0.35 -4.82 117.00 115.82 1mww n LEU 30 Ca -0.19 -0.50 -0.00 0.00 -0.02 0.00 0.00 56.01 55.29 1mww n LEU 30 Cb 0.88 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.68 1mww n LEU 30 CO 0.43 0.13 -0.00 0.47 -1.22 0.00 0.00 177.39 177.20 1mww n ASP 31 N -0.04 -4.48 -4.69 -1.43 10.43 0.20 -4.93 116.55 111.60 1mww n ASP 31 Ca 0.00 0.01 -0.42 0.00 2.57 0.00 0.00 54.79 56.94 1mww n ASP 31 Cb 0.19 -2.00 -0.03 0.00 1.84 0.00 0.00 41.12 41.12 1mww n ASP 31 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1mww s ILE 32 N -1.52 4.27 0.57 0.53 1.01 -0.90 -4.88 121.20 120.28 1mww s ILE 32 Ca 0.00 1.60 -0.20 0.00 0.00 0.00 0.00 60.65 62.05 1mww s ILE 32 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1mww s ILE 32 CO 0.00 0.00 1.25 -2.84 0.00 0.00 0.00 174.94 173.35 1mww s PRO 33 N 2.18 3.04 0.42 2.79 0.02 -1.26 -2.55 135.00 139.64 1mww s PRO 33 Ca 0.56 1.96 -0.26 0.00 0.02 0.00 0.00 61.00 63.27 1mww s PRO 33 Cb -0.24 -2.05 -0.10 0.00 0.02 0.00 0.00 34.50 32.13 1mww s PRO 33 CO 0.22 -1.18 1.37 1.63 -0.33 0.00 0.00 177.00 178.70 1mww n LYS 34 N -1.37 2.19 -0.99 5.54 5.02 -1.26 -2.36 118.16 124.93 1mww n LYS 34 Ca 0.12 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 1mww n LYS 34 Cb 0.48 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1mww n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mww n GLY 35 N 0.66 0.88 0.17 0.72 0.00 -1.26 -4.86 105.19 101.50 1mww n GLY 35 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1mww n GLY 35 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1mww h LYS 36 N 2.55 0.00 -6.41 1.61 1.63 -1.84 -3.46 116.57 110.65 1mww h LYS 36 Ca 0.00 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 59.18 1mww h LYS 36 Cb 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 31.51 1mww h LYS 36 CO 0.00 0.45 -0.70 -1.01 -3.45 0.00 0.00 179.45 174.75 1mww s HIS 37 N -3.48 2.74 0.12 1.91 3.76 -1.26 -5.10 115.29 113.97 1mww s HIS 37 Ca 0.00 -0.17 -0.20 0.00 -0.15 0.00 0.00 55.06 54.54 1mww s HIS 37 Cb 0.11 -1.35 -0.07 0.00 1.11 0.00 0.00 32.58 32.38 1mww s HIS 37 CO 0.71 0.50 0.62 0.00 -0.85 0.00 0.00 174.74 175.73 1mww s ALA 38 N -1.65 3.54 -0.07 -1.40 0.00 -1.26 -5.02 121.76 115.90 1mww s ALA 38 Ca 0.26 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.34 1mww s ALA 38 Cb -0.09 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.33 1mww s ALA 38 CO 0.17 0.38 -0.15 0.42 0.00 0.00 0.00 175.76 176.58 1mww s ILE 39 N -1.20 1.32 0.05 0.00 1.01 -1.26 -1.35 121.20 119.77 1mww s ILE 39 Ca 0.33 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.48 1mww s ILE 39 Cb -0.19 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 1mww s ILE 39 CO 0.21 0.39 -0.25 -0.60 0.00 0.00 0.00 174.94 174.69 1mww s ARG 40 N 0.57 1.67 -0.12 2.79 3.52 0.13 -4.97 118.95 122.55 1mww s ARG 40 Ca -0.15 -1.11 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 1mww s ARG 40 Cb -0.16 -1.87 -0.02 0.00 -1.56 0.00 0.00 34.95 31.34 1mww s ARG 40 CO 0.05 0.48 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.83 1mww s PHE 41 N -0.84 2.80 -0.27 5.12 0.40 -1.26 -0.37 117.98 123.57 1mww s PHE 41 Ca 0.11 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1mww s PHE 41 Cb -0.10 -1.81 0.05 0.00 0.51 0.00 0.00 43.02 41.67 1mww s PHE 41 CO 0.02 -0.14 -0.07 -1.17 0.70 0.00 0.00 175.22 174.56 1mww s LEU 42 N 0.18 3.52 -0.33 -0.37 1.98 -0.10 -4.95 118.68 118.62 1mww s LEU 42 Ca -0.07 -1.29 -0.16 0.00 -2.89 0.00 0.00 54.13 49.71 1mww s LEU 42 Cb -0.15 -1.61 -0.02 0.00 0.66 0.00 0.00 46.19 45.08 1mww s LEU 42 CO 0.05 -0.20 0.42 0.00 -1.89 0.00 0.00 176.35 174.73 1mww s LEU 44 N 2.17 4.31 0.46 0.00 1.43 0.03 -4.62 118.68 122.47 1mww s LEU 44 Ca 0.15 0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 54.05 1mww s LEU 44 Cb -0.16 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 1mww s LEU 44 CO 0.12 0.10 0.82 -1.61 0.23 0.00 0.00 176.35 176.01 1mww s GLU 45 N -2.13 3.69 0.16 1.70 0.41 -1.26 -0.30 118.70 120.97 1mww s GLU 45 Ca 0.37 0.44 -0.19 0.00 -0.41 0.00 0.00 54.97 55.19 1mww s GLU 45 Cb -0.14 -2.33 0.08 0.00 -1.78 0.00 0.00 34.13 29.96 1mww s GLU 45 CO 0.19 -0.17 1.65 -0.22 -0.49 0.00 0.00 175.26 176.23 1mww h LYS 46 N 0.70 -0.07 0.00 1.61 1.63 -1.98 -1.76 116.57 116.70 1mww h LYS 46 Ca -0.47 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1mww h LYS 46 Cb 1.19 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1mww h LYS 46 CO 0.63 -0.05 0.00 -0.85 -3.45 0.00 0.00 179.45 175.73 1mww n GLU 47 N -5.33 0.06 0.00 1.90 0.00 -1.26 -2.18 120.64 113.82 1mww n GLU 47 Ca 0.01 0.44 0.11 0.00 0.00 0.00 0.00 57.16 57.73 1mww n GLU 47 Cb 0.25 -1.64 0.03 0.00 0.00 0.00 0.00 31.44 30.07 1mww n GLU 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1mww n ASP 48 N -1.76 1.62 -4.02 -1.84 10.43 -0.66 -4.84 116.55 115.48 1mww n ASP 48 Ca 0.01 -1.28 -0.33 0.00 2.57 0.00 0.00 54.79 55.77 1mww n ASP 48 Cb 0.09 0.53 -0.12 0.00 1.84 0.00 0.00 41.12 43.46 1mww n ASP 48 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1mww s PHE 49 N -2.61 3.33 -1.23 1.24 5.99 -0.93 -4.97 117.98 118.80 1mww s PHE 49 Ca 0.17 -2.96 -0.11 0.00 0.00 0.00 0.00 56.93 54.03 1mww s PHE 49 Cb 0.18 -2.99 0.19 0.00 0.00 0.00 0.00 43.02 40.40 1mww s PHE 49 CO 0.63 -0.80 1.63 0.66 -0.00 0.00 0.00 175.22 177.34 1mww n TYR 50 N 3.40 3.84 -1.03 10.12 4.01 -1.26 -5.00 117.16 131.24 1mww n TYR 50 Ca 0.06 -3.07 -0.29 0.00 -0.16 0.00 0.00 57.90 54.44 1mww n TYR 50 Cb 0.35 -1.98 0.18 0.00 -0.31 0.00 0.00 39.34 37.59 1mww n TYR 50 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1mww s TYR 51 N 0.50 1.98 0.37 -0.72 -0.85 -1.26 -4.92 117.35 112.45 1mww s TYR 51 Ca 0.40 1.15 -0.28 0.00 -0.52 0.00 0.00 57.07 57.81 1mww s TYR 51 Cb 0.03 -3.20 -0.11 0.00 0.38 0.00 0.00 41.96 39.06 1mww s TYR 51 CO 0.01 -2.96 1.49 -2.30 -1.52 0.00 0.00 175.55 170.27 1mww n PRO 52 N -4.26 2.66 -0.26 -3.49 -0.02 -1.26 -4.91 135.00 123.46 1mww n PRO 52 Ca 0.06 0.93 0.03 0.00 -2.02 0.00 0.00 63.50 62.49 1mww n PRO 52 Cb 0.56 -2.66 0.11 0.00 -0.02 0.00 0.00 33.50 31.48 1mww n PRO 52 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1mww h PHE 53 N 3.09 -0.29 -0.02 6.00 0.04 -2.02 -1.02 116.94 122.72 1mww h PHE 53 Ca -0.50 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1mww h PHE 53 Cb 1.24 0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.64 1mww h PHE 53 CO 0.53 -0.30 0.00 -0.40 -0.60 0.00 0.00 178.31 177.54 1mww n ASP 54 N -5.45 0.98 -4.81 2.17 5.75 -1.26 -4.86 116.55 109.07 1mww n ASP 54 Ca 0.11 -2.02 -0.27 0.00 -0.01 0.00 0.00 54.79 52.60 1mww n ASP 54 Cb 0.41 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 40.02 1mww n ASP 54 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1mww s ARG 55 N -1.19 2.24 0.55 0.11 1.81 -0.39 -5.08 118.95 117.00 1mww s ARG 55 Ca 0.02 -2.02 0.07 0.00 -1.72 0.00 0.00 55.73 52.08 1mww s ARG 55 Cb 0.01 -1.95 0.05 0.00 -0.45 0.00 0.00 34.95 32.61 1mww s ARG 55 CO 0.01 -0.37 0.51 -1.54 -0.68 0.00 0.00 175.30 173.23 1mww s SER 56 N -4.06 4.76 0.25 0.23 1.04 -1.26 -4.97 113.70 109.71 1mww s SER 56 Ca 0.31 -1.13 0.17 0.00 0.48 0.00 0.00 55.95 55.78 1mww s SER 56 Cb 0.01 0.37 0.90 0.00 0.10 0.00 0.00 66.02 67.40 1mww s SER 56 CO 0.18 -1.17 1.50 0.47 0.98 0.00 0.00 173.24 175.20 1mww n ASP 57 N -1.89 0.43 -0.24 7.02 10.43 -1.26 -1.75 116.55 129.29 1mww n ASP 57 Ca 0.03 0.69 0.14 0.00 2.57 0.00 0.00 54.79 58.22 1mww n ASP 57 Cb 0.63 -0.74 0.67 0.00 1.84 0.00 0.00 41.12 43.52 1mww n ASP 57 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1mww n ASP 58 N -2.08 0.73 -4.69 -2.24 8.00 -1.26 -4.60 116.55 110.41 1mww n ASP 58 Ca -0.01 -1.33 -0.52 0.00 0.71 0.00 0.00 54.79 53.64 1mww n ASP 58 Cb 0.05 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 1mww n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mww n TYR 59 N -0.39 2.19 -4.27 1.24 4.19 -0.72 -4.84 117.16 114.56 1mww n TYR 59 Ca 0.20 0.24 -0.27 0.00 3.31 0.00 0.00 57.90 61.38 1mww n TYR 59 Cb 0.22 -2.57 -0.17 0.00 0.49 0.00 0.00 39.34 37.31 1mww n TYR 59 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1mww s THR 60 N 3.48 1.20 -0.17 2.97 2.01 0.06 -4.32 115.64 120.87 1mww s THR 60 Ca 0.93 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 62.43 1mww s THR 60 Cb -0.84 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1mww s THR 60 CO 0.55 0.38 0.00 -0.69 -0.69 0.00 0.00 174.62 174.18 1mww s VAL 61 N 1.17 4.21 -0.16 3.82 1.01 -0.51 -1.05 120.40 128.90 1mww s VAL 61 Ca -0.04 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1mww s VAL 61 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1mww s VAL 61 CO -0.03 0.47 -0.19 -0.63 0.00 0.00 0.00 175.10 174.72 1mww s ILE 62 N 0.47 1.93 -0.22 2.22 1.01 -0.24 -0.24 121.20 126.12 1mww s ILE 62 Ca -0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 1mww s ILE 62 Cb -0.14 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1mww s ILE 62 CO 0.02 0.52 -0.01 -0.70 0.00 0.00 0.00 174.94 174.77 1mww s GLU 63 N 1.17 3.51 -0.20 2.79 2.12 0.18 -1.19 118.70 127.07 1mww s GLU 63 Ca 0.01 -0.56 -0.01 0.00 0.36 0.00 0.00 54.97 54.76 1mww s GLU 63 Cb -0.14 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.18 1mww s GLU 63 CO -0.09 -0.12 -0.13 0.42 -0.54 0.00 0.00 175.26 174.80 1mww s ILE 64 N 1.32 2.56 -0.21 -3.70 1.01 -0.39 -1.11 121.20 120.69 1mww s ILE 64 Ca 0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 1mww s ILE 64 Cb -0.15 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1mww s ILE 64 CO -0.00 0.46 0.09 0.20 0.00 0.00 0.00 174.94 175.70 1mww s ASN 65 N 1.35 5.71 0.13 3.58 0.01 -1.25 -0.17 114.94 124.30 1mww s ASN 65 Ca 0.05 0.05 0.06 0.00 -0.71 0.00 0.00 52.86 52.31 1mww s ASN 65 Cb -0.14 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 1mww s ASN 65 CO -0.09 0.11 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.70 1mww s LEU 66 N 0.76 2.40 0.20 0.60 1.43 0.46 -4.53 118.68 120.00 1mww s LEU 66 Ca 0.05 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 1mww s LEU 66 Cb -0.13 -0.61 -0.08 0.00 0.03 0.00 0.00 46.19 45.40 1mww s LEU 66 CO 0.02 -0.12 1.24 -0.04 0.23 0.00 0.00 176.35 177.68 1mww s MET 67 N -2.65 4.46 0.54 1.70 -1.94 -1.26 -2.19 119.30 117.95 1mww s MET 67 Ca 0.10 1.95 -0.22 0.00 -1.71 0.00 0.00 55.69 55.81 1mww s MET 67 Cb -0.05 -3.22 -0.05 0.00 2.01 0.00 0.00 34.83 33.52 1mww s MET 67 CO 0.04 -0.13 1.33 0.00 -0.01 0.00 0.00 175.02 176.24 1mww s ALA 68 N -0.09 2.83 0.00 3.03 0.00 0.01 -4.58 121.76 122.96 1mww s ALA 68 Ca 0.54 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1mww s ALA 68 Cb -0.34 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1mww s ALA 68 CO 0.38 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 175.28 1mww n GLY 69 N 0.68 0.43 3.91 0.00 0.00 -1.26 -4.65 105.19 104.30 1mww n GLY 69 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1mww n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mww s ARG 70 N 0.00 3.52 0.58 1.61 0.52 -1.26 -5.06 118.95 118.85 1mww s ARG 70 Ca 0.00 0.20 -0.17 0.00 -0.52 0.00 0.00 55.73 55.24 1mww s ARG 70 Cb 0.00 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 1mww s ARG 70 CO 0.00 -0.24 1.09 -1.64 0.02 0.00 0.00 175.30 174.53 1mww s MET 71 N -4.77 3.28 0.26 3.54 -1.94 -1.26 -4.93 119.30 113.48 1mww s MET 71 Ca 0.48 1.39 -0.04 0.00 -1.71 0.00 0.00 55.69 55.81 1mww s MET 71 Cb -0.10 -2.02 0.34 0.00 2.01 0.00 0.00 34.83 35.06 1mww s MET 71 CO 0.45 -0.86 1.90 0.93 -0.01 0.00 0.00 175.02 177.43 1mww h GLU 72 N 0.74 1.21 -0.93 2.03 5.08 -1.99 -2.33 114.58 118.39 1mww h GLU 72 Ca -0.48 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1mww h GLU 72 Cb 1.24 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1mww h GLU 72 CO 0.57 0.80 0.61 0.78 -1.00 0.00 0.00 179.01 180.77 1mww h GLY 73 N 1.24 1.32 0.96 -3.84 0.00 -1.98 0.34 103.07 101.12 1mww h GLY 73 Ca 0.40 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1mww h GLY 73 CO -0.13 0.43 0.03 -0.84 0.00 0.00 0.00 176.54 176.03 1mww h THR 74 N 1.21 1.25 -0.26 4.70 2.02 -1.82 0.59 112.91 120.60 1mww h THR 74 Ca 0.35 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1mww h THR 74 Cb -0.06 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1mww h THR 74 CO -0.09 0.33 0.05 0.11 0.37 0.00 0.00 175.52 176.30 1mww h LYS 75 N 0.60 0.43 -0.75 6.66 1.57 -0.88 -1.96 116.57 122.24 1mww h LYS 75 Ca 0.13 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1mww h LYS 75 Cb 0.44 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 1mww h LYS 75 CO 0.02 0.53 0.48 0.87 -0.57 0.00 0.00 179.45 180.78 1mww h LYS 76 N 0.25 0.92 -0.48 3.15 1.57 -0.09 -2.01 116.57 119.88 1mww h LYS 76 Ca 0.08 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1mww h LYS 76 Cb 0.31 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1mww h LYS 76 CO 0.00 0.61 0.20 -0.09 -0.57 0.00 0.00 179.45 179.60 1mww h ARG 77 N 0.95 0.38 -0.60 3.15 2.43 0.47 -1.21 114.38 119.94 1mww h ARG 77 Ca 0.29 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1mww h ARG 77 Cb -0.02 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1mww h ARG 77 CO -0.10 0.25 0.23 1.25 -1.51 0.00 0.00 179.97 180.09 1mww h LEU 78 N 0.39 0.80 -0.26 3.80 5.85 -0.83 -0.40 115.31 124.67 1mww h LEU 78 Ca 0.23 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1mww h LEU 78 Cb 0.21 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1mww h LEU 78 CO -0.21 0.73 0.12 0.40 -0.34 0.00 0.00 178.44 179.14 1mww h ILE 79 N 0.86 1.15 -0.66 4.05 2.04 -0.63 0.27 117.51 124.59 1mww h ILE 79 Ca 0.20 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1mww h ILE 79 Cb 0.19 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1mww h ILE 79 CO -0.02 0.16 0.29 0.11 0.00 0.00 0.00 178.15 178.69 1mww h LYS 80 N 0.28 0.96 -0.28 2.37 1.57 -0.97 -1.16 116.57 119.34 1mww h LYS 80 Ca 0.09 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1mww h LYS 80 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1mww h LYS 80 CO -0.01 0.76 -0.32 0.52 -0.57 0.00 0.00 179.45 179.84 1mww h MET 81 N 0.95 0.59 -0.37 3.15 2.86 -0.83 -1.94 114.93 119.34 1mww h MET 81 Ca 0.23 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1mww h MET 81 Cb 0.15 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1mww h MET 81 CO -0.02 0.84 -0.08 -0.07 1.06 0.00 0.00 176.91 178.63 1mww h LEU 82 N 0.51 0.71 0.17 1.22 3.38 0.05 -0.93 115.31 120.42 1mww h LEU 82 Ca 0.06 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1mww h LEU 82 Cb 0.80 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1mww h LEU 82 CO 0.07 0.91 -0.22 -0.26 0.09 0.00 0.00 178.44 179.03 1mww h PHE 83 N 0.51 -0.57 -0.34 1.13 0.05 -1.03 -0.42 116.94 116.26 1mww h PHE 83 Ca 0.09 0.01 0.06 0.00 3.82 0.00 0.00 57.97 61.95 1mww h PHE 83 Cb 0.59 0.23 -0.05 0.00 2.00 0.00 0.00 35.95 38.72 1mww h PHE 83 CO 0.05 -0.32 0.00 0.77 -0.18 0.00 0.00 178.31 178.64 1mww h SER 84 N -0.44 -0.13 -0.94 2.17 0.02 -1.25 -0.09 113.55 112.89 1mww h SER 84 Ca 0.01 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1mww h SER 84 Cb 0.43 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 1mww h SER 84 CO -0.08 -0.03 0.61 -0.33 -1.14 0.00 0.00 176.83 175.86 1mww h GLU 85 N 0.10 1.17 -0.16 3.45 5.08 -0.96 -1.31 114.58 121.95 1mww h GLU 85 Ca 0.17 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1mww h GLU 85 Cb 0.23 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1mww h GLU 85 CO -0.28 0.78 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.36 1mww h LEU 86 N 1.21 0.35 0.16 1.33 4.07 -0.22 0.14 115.31 122.35 1mww h LEU 86 Ca 0.37 -0.42 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1mww h LEU 86 Cb -0.04 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1mww h LEU 86 CO -0.11 0.69 -0.09 -0.08 -1.08 0.00 0.00 178.44 177.78 1mww h GLU 87 N 0.01 -0.22 0.00 1.13 4.81 -0.57 0.46 114.58 120.20 1mww h GLU 87 Ca 0.03 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1mww h GLU 87 Cb 0.57 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1mww h GLU 87 CO 0.02 -0.15 0.00 1.88 -0.73 0.00 0.00 179.01 180.03 1mww h TYR 88 N -0.23 0.00 -0.01 0.92 0.05 -1.36 0.05 116.97 116.39 1mww h TYR 88 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1mww h TYR 88 Cb 0.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1mww h TYR 88 CO 0.11 0.00 -0.12 1.63 -1.05 0.00 0.00 178.16 178.74 1mww n LYS 89 N -2.91 1.59 0.00 4.88 5.02 0.48 -4.71 118.16 122.50 1mww n LYS 89 Ca -0.00 -0.68 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 1mww n LYS 89 Cb 0.21 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1mww n LYS 89 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1mww n LEU 90 N -0.05 0.00 -0.05 -0.35 4.32 0.09 -4.99 117.00 115.97 1mww n LEU 90 Ca 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.02 1mww n LEU 90 Cb 0.18 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1mww n LEU 90 CO 0.09 0.01 -0.01 0.61 -1.22 0.00 0.00 177.39 176.87 1mww n GLY 91 N 0.00 0.47 3.59 -0.72 0.00 -0.00 -4.97 105.19 103.55 1mww n GLY 91 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1mww n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mww s ILE 92 N -1.92 4.85 0.24 -0.61 1.01 -0.99 -4.93 121.20 118.85 1mww s ILE 92 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 1mww s ILE 92 Cb 0.00 -4.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 1mww s ILE 92 CO 0.00 -0.30 1.21 -0.13 0.00 0.00 0.00 174.94 175.72 1mww s ARG 93 N 2.81 4.49 0.58 2.79 0.52 -1.26 -2.22 118.95 126.66 1mww s ARG 93 Ca 0.27 1.95 0.32 0.00 -0.52 0.00 0.00 55.73 57.75 1mww s ARG 93 Cb -0.14 -3.19 1.41 0.00 0.52 0.00 0.00 34.95 33.55 1mww s ARG 93 CO 0.14 -0.05 1.76 0.00 0.02 0.00 0.00 175.30 177.17 1mww h ALA 94 N 4.53 2.68 -0.62 2.13 0.00 -1.94 0.44 119.26 126.49 1mww h ALA 94 Ca -0.46 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.51 1mww h ALA 94 Cb 1.22 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1mww h ALA 94 CO 0.71 -1.19 0.25 1.25 0.00 0.00 0.00 179.25 180.27 1mww h HIS 95 N 0.00 0.44 -0.30 0.00 6.17 -2.00 -1.57 115.15 117.89 1mww h HIS 95 Ca 0.40 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.47 1mww h HIS 95 Cb 1.91 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 31.71 1mww h HIS 95 CO 0.00 0.13 0.05 -0.25 0.71 0.00 0.00 177.93 178.57 1mww n ASP 96 N -4.96 3.23 -4.10 3.26 10.43 0.16 -4.89 116.55 119.68 1mww n ASP 96 Ca 0.09 -2.48 -0.28 0.00 2.57 0.00 0.00 54.79 54.68 1mww n ASP 96 Cb 0.26 -0.60 -0.17 0.00 1.84 0.00 0.00 41.12 42.46 1mww n ASP 96 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1mww s VAL 97 N -1.78 1.55 -0.03 2.53 1.01 -0.59 -0.76 120.40 122.34 1mww s VAL 97 Ca 0.26 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1mww s VAL 97 Cb 0.20 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1mww s VAL 97 CO 0.07 0.45 -0.23 -0.70 0.00 0.00 0.00 175.10 174.69 1mww s GLU 98 N 0.66 2.02 0.01 2.72 2.12 -0.22 -4.98 118.70 121.03 1mww s GLU 98 Ca -0.14 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.38 1mww s GLU 98 Cb -0.16 -1.86 -0.01 0.00 0.26 0.00 0.00 34.13 32.36 1mww s GLU 98 CO 0.04 0.44 -0.02 0.42 -0.54 0.00 0.00 175.26 175.60 1mww s ILE 99 N -0.38 0.09 -0.04 -3.70 1.01 -1.26 -1.08 121.20 115.83 1mww s ILE 99 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 1mww s ILE 99 Cb -0.10 -0.14 0.03 0.00 0.01 0.00 0.00 42.46 42.26 1mww s ILE 99 CO 0.01 -0.15 0.09 -0.89 0.00 0.00 0.00 174.94 174.00 1mww s THR 100 N -0.49 -0.04 -0.27 2.92 2.01 -0.33 -4.97 115.64 114.46 1mww s THR 100 Ca -0.05 0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.00 1mww s THR 100 Cb -0.03 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 1mww s THR 100 CO -0.00 0.06 0.15 -0.63 -0.69 0.00 0.00 174.62 173.50 1mww s ILE 101 N 0.85 4.91 -0.16 1.82 1.01 -1.26 -1.26 121.20 127.12 1mww s ILE 101 Ca -0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 1mww s ILE 101 Cb -0.09 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1mww s ILE 101 CO -0.04 0.26 -0.01 -0.54 0.00 0.00 0.00 174.94 174.61 1mww s LYS 102 N 1.70 3.72 0.06 2.79 1.02 0.77 -4.98 119.74 124.81 1mww s LYS 102 Ca 0.07 -0.46 0.09 0.00 0.02 0.00 0.00 55.97 55.68 1mww s LYS 102 Cb -0.16 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1mww s LYS 102 CO 0.08 0.28 -0.25 -1.21 -0.92 0.00 0.00 175.35 173.33 1mww s GLU 103 N 0.28 1.61 0.02 1.68 2.02 -1.26 -0.40 118.70 122.65 1mww s GLU 103 Ca -0.01 -1.12 0.02 0.00 0.02 0.00 0.00 54.97 53.88 1mww s GLU 103 Cb -0.13 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 1mww s GLU 103 CO 0.02 0.47 -0.06 -0.65 0.02 0.00 0.00 175.26 175.06 1mww s GLN 104 N -1.39 0.43 0.66 1.61 1.11 -0.93 -4.86 119.66 116.29 1mww s GLN 104 Ca 0.11 -0.45 -0.17 0.00 0.01 0.00 0.00 55.36 54.86 1mww s GLN 104 Cb -0.10 -0.29 -0.03 0.00 -1.01 0.00 0.00 33.01 31.58 1mww s GLN 104 CO 0.03 0.07 0.91 -2.30 0.01 0.00 0.00 175.29 174.00 1mww n PRO 105 N 2.23 0.66 -0.32 2.91 -0.02 -1.26 -0.81 135.00 138.40 1mww n PRO 105 Ca -0.18 0.27 0.19 0.00 -2.02 0.00 0.00 63.50 61.77 1mww n PRO 105 Cb 0.57 -2.14 0.45 0.00 -0.02 0.00 0.00 33.50 32.35 1mww n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mww h ALA 106 N 0.08 2.05 0.00 3.55 0.00 -1.92 -0.28 119.26 122.74 1mww h ALA 106 Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1mww h ALA 106 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1mww h ALA 106 CO 0.48 -0.43 0.00 -2.39 0.00 0.00 0.00 179.25 176.92 1mww n HIS 107 N -4.66 0.00 1.12 0.00 1.44 -1.26 -1.16 115.22 110.70 1mww n HIS 107 Ca 0.24 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.07 1mww n HIS 107 Cb 0.75 -0.39 0.25 0.00 0.12 0.00 0.00 29.99 30.73 1mww n HIS 107 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mww s TRP 109 N -1.96 3.45 -0.07 0.00 0.52 -0.31 -5.00 118.94 115.57 1mww s TRP 109 Ca 0.32 0.33 -0.01 0.00 0.02 0.00 0.00 56.10 56.76 1mww s TRP 109 Cb 0.20 -1.82 0.03 0.00 -1.15 0.00 0.00 33.47 30.73 1mww s TRP 109 CO 0.31 0.62 -0.02 0.20 0.02 0.00 0.00 176.95 178.09 1mww s GLY 110 N -1.64 0.50 -0.04 0.98 0.00 -1.26 -0.36 107.32 105.50 1mww s GLY 110 Ca 0.23 -0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.61 1mww s GLY 110 CO 0.13 0.92 0.43 -0.11 0.00 0.00 0.00 173.10 174.47 1mww s PHE 111 N 1.66 -0.35 -1.53 1.90 -0.12 0.53 -4.95 117.98 115.11 1mww s PHE 111 Ca 0.01 0.63 -0.12 0.00 -0.05 0.00 0.00 56.93 57.39 1mww s PHE 111 Cb -0.13 0.19 0.08 0.00 -0.63 0.00 0.00 43.02 42.54 1mww s PHE 111 CO -0.04 -0.43 0.89 0.54 -0.05 0.00 0.00 175.22 176.13 1mww n ARG 112 N 1.38 -4.95 -0.92 1.99 1.74 -1.26 -1.13 116.66 113.51 1mww n ARG 112 Ca -0.20 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1mww n ARG 112 Cb 0.56 -5.33 0.00 0.00 -1.02 0.00 0.00 32.46 26.67 1mww n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mww n GLY 113 N -1.65 0.47 3.42 -0.13 0.00 -1.26 -4.99 105.19 101.05 1mww n GLY 113 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1mww n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mww s MET 114 N -0.55 1.57 0.39 1.61 -1.94 -0.28 -5.13 119.30 114.97 1mww s MET 114 Ca 0.00 -1.84 -0.06 0.00 -1.71 0.00 0.00 55.69 52.08 1mww s MET 114 Cb 0.00 -0.90 -0.05 0.00 2.01 0.00 0.00 34.83 35.89 1mww s MET 114 CO 0.00 -0.11 0.70 0.95 -0.01 0.00 0.00 175.02 176.55 1mww s THR 115 N -3.24 4.92 0.33 2.05 -4.23 -1.26 -0.35 115.64 113.86 1mww s THR 115 Ca 0.33 0.23 0.07 0.00 -1.18 0.00 0.00 61.69 61.14 1mww s THR 115 Cb 0.07 -3.79 0.10 0.00 1.34 0.00 0.00 72.50 70.22 1mww s THR 115 CO 0.13 -0.58 1.81 1.23 -0.54 0.00 0.00 174.62 176.67 1mww h GLY 116 N 0.99 0.35 2.00 3.99 0.00 -0.01 -2.44 103.07 107.95 1mww h GLY 116 Ca -0.47 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1mww h GLY 116 CO 0.63 0.24 0.00 1.29 0.00 0.00 0.00 176.54 178.70 1mww h ASP 117 N 0.29 0.00 -0.02 0.19 2.03 -1.81 -2.67 116.42 114.43 1mww h ASP 117 Ca 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1mww h ASP 117 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 1mww h ASP 117 CO 0.04 0.00 -0.11 -1.84 -1.03 0.00 0.00 179.24 176.30 1mww n GLU 118 N -2.83 2.05 -2.55 4.15 0.28 -0.93 -4.92 120.64 115.88 1mww n GLU 118 Ca 0.01 -1.68 -0.41 0.00 -0.16 0.00 0.00 57.16 54.92 1mww n GLU 118 Cb 0.25 -1.47 -0.04 0.00 1.43 0.00 0.00 31.44 31.61 1mww n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1mww s ALA 119 N -2.11 3.36 0.00 -1.84 0.00 -1.01 -4.97 121.76 115.19 1mww s ALA 119 Ca 0.26 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1mww s ALA 119 Cb 0.20 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1mww s ALA 119 CO 0.36 -0.15 0.27 0.54 0.00 0.00 0.00 175.76 176.78