#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 5.35 0.02 1.12 1.01 -0.58 -3.83 121.20 124.28 1mww s ILE 2 Ca 0.00 0.42 0.08 0.00 0.00 0.00 0.00 60.65 61.14 1mww s ILE 2 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1mww s ILE 2 CO 0.00 0.53 -0.22 -0.89 0.00 0.00 0.00 174.94 174.36 1mww s THR 3 N -0.51 1.79 -0.13 2.92 2.01 0.59 -0.32 115.64 121.99 1mww s THR 3 Ca 0.16 -1.14 0.02 0.00 0.31 0.00 0.00 61.69 61.04 1mww s THR 3 Cb -0.13 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1mww s THR 3 CO 0.05 0.35 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.44 1mww s VAL 4 N -0.69 1.86 -0.07 3.82 1.01 0.12 -1.16 120.40 125.30 1mww s VAL 4 Ca 0.09 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1mww s VAL 4 Cb -0.09 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1mww s VAL 4 CO 0.01 0.51 -0.13 -0.36 0.00 0.00 0.00 175.10 175.13 1mww s PHE 5 N 0.89 2.76 0.06 5.22 0.40 0.91 -0.67 117.98 127.54 1mww s PHE 5 Ca -0.07 -0.21 -0.28 0.00 -0.60 0.00 0.00 56.93 55.78 1mww s PHE 5 Cb -0.15 -1.68 0.09 0.00 0.51 0.00 0.00 43.02 41.79 1mww s PHE 5 CO -0.02 0.14 1.05 0.20 0.70 0.00 0.00 175.22 177.29 1mww s GLY 6 N -0.55 -0.32 0.14 4.36 0.00 -1.09 -0.97 107.32 108.89 1mww s GLY 6 Ca 0.08 0.54 -0.31 0.00 0.00 0.00 0.00 44.72 45.02 1mww s GLY 6 CO 0.02 0.13 1.74 -2.27 0.00 0.00 0.00 173.10 172.71 1mww s LEU 7 N -2.81 4.38 0.44 0.66 0.20 -1.26 -0.17 118.68 120.11 1mww s LEU 7 Ca 0.11 2.73 0.15 0.00 0.69 0.00 0.00 54.13 57.81 1mww s LEU 7 Cb 0.00 -3.58 1.07 0.00 -0.43 0.00 0.00 46.19 43.25 1mww s LEU 7 CO -0.02 -0.95 1.97 0.50 -0.29 0.00 0.00 176.35 177.56 1mww h LYS 8 N 7.80 0.37 0.00 1.98 3.64 -0.49 0.54 116.57 130.41 1mww h LYS 8 Ca -0.44 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 1mww h LYS 8 Cb 1.21 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1mww h LYS 8 CO 0.94 0.24 -0.32 0.66 -2.27 0.00 0.00 179.45 178.70 1mww h SER 9 N 0.38 0.00 0.01 4.20 4.64 -1.90 -2.22 113.55 118.65 1mww h SER 9 Ca 0.30 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.24 1mww h SER 9 Cb 0.66 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.68 1mww h SER 9 CO -0.08 0.32 -2.42 0.29 -0.87 0.00 0.00 176.83 174.07 1mww n LYS 10 N -4.07 0.67 0.02 4.77 4.76 -0.54 -4.64 118.16 119.13 1mww n LYS 10 Ca -0.02 0.07 -0.18 0.00 -2.87 0.00 0.00 58.31 55.31 1mww n LYS 10 Cb 0.37 -1.52 -0.12 0.00 -1.84 0.00 0.00 35.03 31.92 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 0.00 0.56 -0.93 -0.35 5.85 0.03 -3.37 115.31 117.09 1mww h LEU 11 Ca -0.56 -0.80 0.20 0.00 0.84 0.00 0.00 57.88 57.57 1mww h LEU 11 Cb 2.09 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 42.83 1mww h LEU 11 CO -0.02 1.29 0.50 0.00 -0.34 0.00 0.00 178.44 179.86 1mww h ALA 12 N 0.28 1.54 0.00 1.25 0.00 -1.61 0.17 119.26 120.89 1mww h ALA 12 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1mww h ALA 12 Cb 1.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1mww h ALA 12 CO 0.14 -0.21 0.00 -2.30 0.00 0.00 0.00 179.25 176.87 1mww n PRO 13 N -4.91 0.08 0.01 0.00 -0.02 -1.26 -3.35 135.00 125.55 1mww n PRO 13 Ca 0.22 0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.87 1mww n PRO 13 Cb 0.61 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 1mww n PRO 13 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1mww n ARG 14 N -1.45 0.32 -0.30 -0.52 1.74 0.02 -4.73 116.66 111.74 1mww n ARG 14 Ca 0.07 -0.06 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1mww n ARG 14 Cb 0.28 -1.55 0.04 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.00 -0.06 -0.15 5.56 3.08 -1.49 0.25 114.38 121.57 1mww h ARG 15 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mww h ARG 15 Cb 0.75 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1mww h ARG 15 CO 0.00 -0.04 0.09 0.93 -1.07 0.00 0.00 179.97 179.88 1mww h GLU 16 N -0.07 0.20 -0.07 0.04 5.08 -1.87 0.15 114.58 118.05 1mww h GLU 16 Ca 0.31 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1mww h GLU 16 Cb 0.58 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1mww h GLU 16 CO -0.85 0.19 -0.28 0.87 -1.00 0.00 0.00 179.01 177.95 1mww h LYS 17 N 0.16 0.12 -0.41 2.33 1.79 -1.70 -1.37 116.57 117.49 1mww h LYS 17 Ca 0.05 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.34 1mww h LYS 17 Cb 0.04 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1mww h LYS 17 CO -0.01 0.39 -0.31 -0.07 -1.08 0.00 0.00 179.45 178.37 1mww h LEU 18 N 0.11 0.98 -0.49 2.94 3.38 -0.00 -1.18 115.31 121.04 1mww h LEU 18 Ca 0.02 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1mww h LEU 18 Cb 0.55 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1mww h LEU 18 CO 0.04 1.21 0.19 0.00 0.09 0.00 0.00 178.44 179.97 1mww h ALA 19 N 0.80 0.64 -0.54 1.53 0.00 -0.27 -1.94 119.26 119.47 1mww h ALA 19 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1mww h ALA 19 Cb 0.90 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1mww h ALA 19 CO 0.08 0.26 0.31 1.49 0.00 0.00 0.00 179.25 181.39 1mww h GLU 20 N 0.66 0.60 -0.79 0.00 4.81 -1.10 0.27 114.58 119.02 1mww h GLU 20 Ca 0.16 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1mww h GLU 20 Cb 0.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1mww h GLU 20 CO -0.01 0.39 0.32 0.28 -0.73 0.00 0.00 179.01 179.26 1mww h VAL 21 N 0.61 1.26 -0.08 0.32 2.07 -0.88 0.18 116.25 119.74 1mww h VAL 21 Ca 0.22 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1mww h VAL 21 Cb 0.06 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1mww h VAL 21 CO -0.12 0.34 0.01 0.40 0.02 0.00 0.00 177.57 178.22 1mww h ILE 22 N 1.16 1.21 -0.72 4.57 2.04 -0.93 -0.90 117.51 123.94 1mww h ILE 22 Ca 0.27 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.55 1mww h ILE 22 Cb 0.22 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 1mww h ILE 22 CO -0.02 0.18 0.38 1.88 0.00 0.00 0.00 178.15 180.58 1mww h TYR 23 N -0.10 0.70 -0.51 1.37 0.99 -0.71 0.38 116.97 119.08 1mww h TYR 23 Ca 0.02 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 1mww h TYR 23 Cb 0.28 -0.20 -0.02 0.00 1.00 0.00 0.00 36.73 37.78 1mww h TYR 23 CO 0.01 0.28 0.31 -0.97 -0.00 0.00 0.00 178.16 177.80 1mww h ASN 24 N 0.67 0.62 0.45 3.88 -1.24 -0.26 -0.11 115.58 119.59 1mww h ASN 24 Ca 0.34 -0.06 -0.15 0.00 0.71 0.00 0.00 56.30 57.15 1mww h ASN 24 Cb 0.31 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1mww h ASN 24 CO -0.24 0.49 -0.63 0.28 -1.29 0.00 0.00 177.43 176.04 1mww h SER 25 N 0.69 0.20 -0.11 1.15 0.02 -0.96 -0.11 113.55 114.42 1mww h SER 25 Ca 0.18 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 1mww h SER 25 Cb -0.01 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1mww h SER 25 CO -0.03 0.78 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.94 1mww h LEU 26 N 0.12 0.70 0.05 5.07 3.38 -0.55 0.13 115.31 124.21 1mww h LEU 26 Ca -0.01 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1mww h LEU 26 Cb 1.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1mww h LEU 26 CO 0.09 1.03 -0.02 -0.74 0.09 0.00 0.00 178.44 178.89 1mww h HIS 27 N 0.53 -0.06 -0.49 1.13 2.76 -0.84 -0.22 115.15 117.95 1mww h HIS 27 Ca 0.04 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.08 1mww h HIS 27 Cb 0.96 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 1mww h HIS 27 CO 0.04 0.44 -0.17 -0.07 -1.30 0.00 0.00 177.93 176.88 1mww h LEU 28 N -0.61 1.01 0.14 0.26 3.38 -1.04 0.31 115.31 118.77 1mww h LEU 28 Ca -0.01 -0.38 -0.29 0.00 0.09 0.00 0.00 57.88 57.29 1mww h LEU 28 Cb 0.53 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1mww h LEU 28 CO 0.01 1.16 -1.35 1.23 0.09 0.00 0.00 178.44 179.58 1mww h GLY 29 N 0.85 0.34 0.00 0.83 0.00 -0.85 -3.41 103.07 100.84 1mww h GLY 29 Ca 0.12 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1mww h GLY 29 CO 0.06 0.77 0.00 1.04 0.00 0.00 0.00 176.54 178.41 1mww n LEU 30 N -3.54 0.32 -0.04 3.11 4.32 -0.16 -4.85 117.00 116.17 1mww n LEU 30 Ca -0.12 -0.63 -0.00 0.00 -0.02 0.00 0.00 56.01 55.24 1mww n LEU 30 Cb 1.04 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.84 1mww n LEU 30 CO 0.54 0.08 -0.00 0.47 -1.22 0.00 0.00 177.39 177.25 1mww n ASP 31 N -0.61 -3.06 -4.62 -1.43 8.00 0.10 -4.97 116.55 109.95 1mww n ASP 31 Ca 0.00 0.01 -0.40 0.00 0.71 0.00 0.00 54.79 55.11 1mww n ASP 31 Cb 0.01 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.43 1mww n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mww s ILE 32 N -2.02 5.06 0.58 0.53 1.01 -0.94 -4.93 121.20 120.50 1mww s ILE 32 Ca 0.00 0.91 -0.20 0.00 0.00 0.00 0.00 60.65 61.37 1mww s ILE 32 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1mww s ILE 32 CO 0.00 0.09 1.20 -2.65 0.00 0.00 0.00 174.94 173.58 1mww n PRO 33 N 5.50 1.27 -1.73 2.79 -0.02 -1.26 -3.13 135.00 138.42 1mww n PRO 33 Ca -0.04 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1mww n PRO 33 Cb 0.50 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1mww n PRO 33 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1mww n LYS 34 N -1.19 2.50 -0.77 -0.52 4.81 -1.26 -2.34 118.16 119.38 1mww n LYS 34 Ca 0.13 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 1mww n LYS 34 Cb 0.46 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.91 1mww n LYS 34 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mww n GLY 35 N 1.54 0.74 0.12 3.14 0.00 -1.26 -4.90 105.19 104.57 1mww n GLY 35 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1mww n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mww h LYS 36 N 2.50 0.32 -5.91 1.61 1.79 -1.82 -3.45 116.57 111.61 1mww h LYS 36 Ca 0.00 -0.55 -0.62 0.00 -2.18 0.00 0.00 60.65 57.29 1mww h LYS 36 Cb 0.00 0.21 -0.06 0.00 -1.58 0.00 0.00 32.23 30.80 1mww h LYS 36 CO 0.00 1.23 -0.31 -1.01 -1.08 0.00 0.00 179.45 178.28 1mww s HIS 37 N -2.62 3.65 0.20 -1.35 3.76 -1.26 -5.09 115.29 112.57 1mww s HIS 37 Ca -0.08 0.77 -0.30 0.00 -0.15 0.00 0.00 55.06 55.31 1mww s HIS 37 Cb 0.06 -2.13 -0.08 0.00 1.11 0.00 0.00 32.58 31.54 1mww s HIS 37 CO 0.88 0.64 1.10 0.00 -0.85 0.00 0.00 174.74 176.52 1mww s ALA 38 N -1.15 3.38 -0.06 -1.40 0.00 -1.26 -4.98 121.76 116.28 1mww s ALA 38 Ca 0.24 0.83 0.05 0.00 0.00 0.00 0.00 51.96 53.07 1mww s ALA 38 Cb -0.14 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1mww s ALA 38 CO 0.12 -0.20 -0.22 0.42 0.00 0.00 0.00 175.76 175.88 1mww s ILE 39 N -0.40 1.83 0.07 0.00 -1.09 -1.26 -1.52 121.20 118.83 1mww s ILE 39 Ca 0.49 -0.93 0.09 0.00 -2.23 0.00 0.00 60.65 58.07 1mww s ILE 39 Cb -0.30 -1.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.98 1mww s ILE 39 CO 0.36 0.51 -0.25 -0.60 -1.23 0.00 0.00 174.94 173.74 1mww s ARG 40 N 0.06 1.75 -0.04 2.79 3.52 0.56 -4.97 118.95 122.62 1mww s ARG 40 Ca -0.08 -1.15 0.06 0.00 -0.13 0.00 0.00 55.73 54.43 1mww s ARG 40 Cb -0.14 -2.00 -0.02 0.00 -1.56 0.00 0.00 34.95 31.22 1mww s ARG 40 CO 0.04 0.50 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.78 1mww s PHE 41 N -0.90 2.53 -0.29 5.12 0.08 -1.26 -0.70 117.98 122.55 1mww s PHE 41 Ca 0.13 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.90 1mww s PHE 41 Cb -0.10 -1.57 0.08 0.00 -0.57 0.00 0.00 43.02 40.86 1mww s PHE 41 CO 0.04 0.07 0.01 -1.17 -0.10 0.00 0.00 175.22 174.07 1mww s LEU 42 N -0.65 3.49 -0.45 -0.37 1.98 0.15 -4.92 118.68 117.90 1mww s LEU 42 Ca 0.10 -1.69 -0.28 0.00 -2.89 0.00 0.00 54.13 49.38 1mww s LEU 42 Cb -0.10 -1.34 0.03 0.00 0.66 0.00 0.00 46.19 45.43 1mww s LEU 42 CO -0.00 -0.32 1.05 0.00 -1.89 0.00 0.00 176.35 175.18 1mww s LEU 44 N 4.11 4.32 0.36 0.00 1.43 0.76 -4.58 118.68 125.08 1mww s LEU 44 Ca 0.43 0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 54.31 1mww s LEU 44 Cb -0.09 -3.21 -0.09 0.00 0.03 0.00 0.00 46.19 42.83 1mww s LEU 44 CO 0.28 0.10 0.79 -1.61 0.23 0.00 0.00 176.35 176.15 1mww s GLU 45 N -2.08 4.00 0.32 1.70 0.41 -1.26 0.21 118.70 122.00 1mww s GLU 45 Ca 0.37 0.73 0.07 0.00 -0.41 0.00 0.00 54.97 55.73 1mww s GLU 45 Cb -0.14 -2.36 0.75 0.00 -1.78 0.00 0.00 34.13 30.60 1mww s GLU 45 CO 0.19 0.07 1.81 -0.22 -0.49 0.00 0.00 175.26 176.62 1mww h LYS 46 N 1.96 0.74 0.00 1.61 3.64 -1.98 -1.76 116.57 120.79 1mww h LYS 46 Ca -0.48 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 1mww h LYS 46 Cb 1.18 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1mww h LYS 46 CO 0.64 0.49 -0.25 0.93 -2.27 0.00 0.00 179.45 179.00 1mww h GLU 47 N 0.76 0.00 -0.00 1.90 3.07 -2.05 -3.08 114.58 115.18 1mww h GLU 47 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1mww h GLU 47 Cb 0.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1mww h GLU 47 CO -0.32 0.25 -0.58 -0.25 -1.40 0.00 0.00 179.01 176.71 1mww n ASP 48 N -4.02 1.03 -4.09 1.42 8.00 -0.67 -4.79 116.55 113.43 1mww n ASP 48 Ca -0.02 -0.83 -0.36 0.00 0.71 0.00 0.00 54.79 54.29 1mww n ASP 48 Cb 0.32 0.48 -0.09 0.00 -0.02 0.00 0.00 41.12 41.80 1mww n ASP 48 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1mww s PHE 49 N -2.80 3.47 -1.39 1.24 5.36 -1.16 -4.98 117.98 117.72 1mww s PHE 49 Ca 0.14 -2.78 -0.14 0.00 -0.96 0.00 0.00 56.93 53.19 1mww s PHE 49 Cb 0.18 -3.19 0.08 0.00 -0.34 0.00 0.00 43.02 39.74 1mww s PHE 49 CO 0.69 -0.82 2.05 0.66 -1.46 0.00 0.00 175.22 176.34 1mww n TYR 50 N 3.26 3.66 -1.49 10.12 0.53 -1.26 -4.97 117.16 127.01 1mww n TYR 50 Ca 0.10 -2.94 -0.32 0.00 -1.02 0.00 0.00 57.90 53.73 1mww n TYR 50 Cb 0.38 -2.43 0.07 0.00 -1.03 0.00 0.00 39.34 36.32 1mww n TYR 50 CO 0.00 0.00 0.00 1.52 -1.02 0.00 0.00 176.86 177.36 1mww s TYR 51 N 2.73 2.72 0.41 -0.72 1.13 -1.26 -4.90 117.35 117.45 1mww s TYR 51 Ca 0.46 1.53 -0.22 0.00 -1.41 0.00 0.00 57.07 57.43 1mww s TYR 51 Cb 0.11 -3.04 -0.14 0.00 -1.10 0.00 0.00 41.96 37.78 1mww s TYR 51 CO -0.04 -1.62 0.29 -2.30 -2.51 0.00 0.00 175.55 169.37 1mww n PRO 52 N -3.09 0.23 0.27 -3.49 -0.02 -1.26 -4.86 135.00 122.78 1mww n PRO 52 Ca 0.09 0.08 0.17 0.00 -2.02 0.00 0.00 63.50 61.82 1mww n PRO 52 Cb 0.53 -1.21 0.68 0.00 -0.02 0.00 0.00 33.50 33.48 1mww n PRO 52 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1mww h PHE 53 N 0.52 0.00 -0.20 6.00 -0.00 -2.01 -2.66 116.94 118.58 1mww h PHE 53 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.59 1mww h PHE 53 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.38 1mww h PHE 53 CO 0.32 0.02 0.00 -0.40 -0.00 0.00 0.00 178.31 178.25 1mww n ASP 54 N -3.12 2.73 -4.75 -0.68 3.85 -1.26 -4.93 116.55 108.38 1mww n ASP 54 Ca 0.00 -1.88 -0.23 0.00 -0.71 0.00 0.00 54.79 51.98 1mww n ASP 54 Cb 0.31 -0.12 0.10 0.00 -1.35 0.00 0.00 41.12 40.06 1mww n ASP 54 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1mww s ARG 55 N -1.75 1.79 0.45 0.11 6.06 -1.00 -5.13 118.95 119.47 1mww s ARG 55 Ca 0.34 -1.29 0.05 0.00 -2.50 0.00 0.00 55.73 52.34 1mww s ARG 55 Cb 0.21 -2.41 -0.04 0.00 0.06 0.00 0.00 34.95 32.77 1mww s ARG 55 CO 0.30 -1.34 0.12 -1.54 -2.50 0.00 0.00 175.30 170.34 1mww s SER 56 N -4.74 4.23 0.00 -2.12 1.04 -1.26 -4.99 113.70 105.86 1mww s SER 56 Ca 0.66 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1mww s SER 56 Cb -0.05 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1mww s SER 56 CO 0.43 -0.66 0.63 -0.90 0.98 0.00 0.00 173.24 173.72 1mww n ASP 57 N -1.24 0.00 -0.02 7.02 3.85 -1.26 -1.37 116.55 123.54 1mww n ASP 57 Ca -0.07 -1.21 0.12 0.00 -0.71 0.00 0.00 54.79 52.92 1mww n ASP 57 Cb 0.66 0.00 0.25 0.00 -1.35 0.00 0.00 41.12 40.67 1mww n ASP 57 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1mww n ASP 58 N -0.51 0.56 -4.64 -1.12 8.00 -1.26 -4.58 116.55 113.00 1mww n ASP 58 Ca 0.00 -0.33 -0.62 0.00 0.71 0.00 0.00 54.79 54.55 1mww n ASP 58 Cb 0.00 0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.43 1.38 -4.35 1.24 4.19 -0.47 -4.90 117.16 112.81 1mww n TYR 59 Ca 0.06 0.98 -0.21 0.00 3.31 0.00 0.00 57.90 62.04 1mww n TYR 59 Cb 0.34 -2.22 -0.16 0.00 0.49 0.00 0.00 39.34 37.78 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 1.74 0.78 -0.08 2.97 2.01 0.48 -4.36 115.64 119.19 1mww s THR 60 Ca 0.97 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1mww s THR 60 Cb -1.30 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 1mww s THR 60 CO 0.67 0.27 -0.15 -0.69 -0.69 0.00 0.00 174.62 174.03 1mww s VAL 61 N 0.67 2.94 -0.12 3.82 1.01 -0.14 -1.78 120.40 126.81 1mww s VAL 61 Ca -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1mww s VAL 61 Cb -0.14 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1mww s VAL 61 CO 0.02 0.57 -0.11 -0.63 0.00 0.00 0.00 175.10 174.94 1mww s ILE 62 N -0.29 1.25 -0.17 2.22 1.01 -0.48 -0.06 121.20 124.68 1mww s ILE 62 Ca 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1mww s ILE 62 Cb -0.13 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1mww s ILE 62 CO 0.03 0.40 -0.10 -0.70 0.00 0.00 0.00 174.94 174.57 1mww s GLU 63 N 1.42 3.37 -0.10 2.79 2.12 -0.31 -0.75 118.70 127.24 1mww s GLU 63 Ca 0.01 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.72 1mww s GLU 63 Cb -0.13 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1mww s GLU 63 CO -0.06 0.02 -0.23 0.42 -0.54 0.00 0.00 175.26 174.86 1mww s ILE 64 N 0.87 2.03 -0.17 -3.70 1.01 -0.79 -0.30 121.20 120.16 1mww s ILE 64 Ca -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 1mww s ILE 64 Cb -0.15 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1mww s ILE 64 CO 0.00 0.55 -0.09 0.20 0.00 0.00 0.00 174.94 175.60 1mww s ASN 65 N 0.40 4.13 0.10 3.58 0.01 -1.25 0.41 114.94 122.32 1mww s ASN 65 Ca -0.18 -0.36 0.05 0.00 -0.71 0.00 0.00 52.86 51.67 1mww s ASN 65 Cb -0.18 -1.67 -0.03 0.00 0.41 0.00 0.00 41.25 39.78 1mww s ASN 65 CO 0.08 0.08 -0.14 -0.76 -1.51 0.00 0.00 177.10 174.85 1mww s LEU 66 N 0.87 2.34 0.12 0.60 1.02 -0.07 -4.48 118.68 119.07 1mww s LEU 66 Ca -0.03 -0.72 -0.30 0.00 0.02 0.00 0.00 54.13 53.10 1mww s LEU 66 Cb -0.15 -0.51 -0.06 0.00 0.02 0.00 0.00 46.19 45.49 1mww s LEU 66 CO 0.00 -0.12 1.07 -0.04 0.02 0.00 0.00 176.35 177.28 1mww s MET 67 N -2.25 4.59 0.54 1.70 -1.94 -1.26 -1.83 119.30 118.84 1mww s MET 67 Ca 0.04 1.62 -0.21 0.00 -1.71 0.00 0.00 55.69 55.42 1mww s MET 67 Cb -0.07 -3.34 -0.06 0.00 2.01 0.00 0.00 34.83 33.37 1mww s MET 67 CO 0.02 0.04 1.17 0.00 -0.01 0.00 0.00 175.02 176.24 1mww n ALA 68 N 2.96 0.89 0.00 3.03 0.00 0.12 -4.49 120.51 123.02 1mww n ALA 68 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1mww n ALA 68 Cb 0.48 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1mww n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mww n GLY 69 N 1.00 2.48 3.74 0.00 0.00 -1.26 -4.69 105.19 106.46 1mww n GLY 69 Ca 0.11 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 2.09 0.43 1.61 0.52 -1.26 -4.99 118.95 117.34 1mww s ARG 70 Ca 0.00 1.35 -0.22 0.00 -0.52 0.00 0.00 55.73 56.33 1mww s ARG 70 Cb 0.00 -1.87 -0.09 0.00 0.52 0.00 0.00 34.95 33.51 1mww s ARG 70 CO 0.00 -1.80 1.03 -1.64 0.02 0.00 0.00 175.30 172.91 1mww s MET 71 N -4.60 4.07 0.28 3.54 -1.94 -1.26 -4.96 119.30 114.42 1mww s MET 71 Ca 0.65 1.41 0.00 0.00 -1.71 0.00 0.00 55.69 56.03 1mww s MET 71 Cb -0.20 -2.36 0.51 0.00 2.01 0.00 0.00 34.83 34.79 1mww s MET 71 CO 0.53 -0.21 1.84 1.49 -0.01 0.00 0.00 175.02 178.66 1mww h GLU 72 N 2.14 1.00 0.00 2.03 4.81 -2.00 -1.43 114.58 121.12 1mww h GLU 72 Ca -0.49 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.63 1mww h GLU 72 Cb 1.21 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1mww h GLU 72 CO 0.61 0.66 -0.23 0.78 -0.73 0.00 0.00 179.01 180.10 1mww h GLY 73 N 1.03 0.00 1.06 1.92 0.00 -1.99 -2.27 103.07 102.82 1mww h GLY 73 Ca 0.48 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.63 1mww h GLY 73 CO -0.24 0.00 -0.54 -0.84 0.00 0.00 0.00 176.54 174.91 1mww h THR 74 N 0.00 1.30 -0.07 4.70 2.02 -1.65 -1.36 112.91 117.85 1mww h THR 74 Ca -0.00 -1.75 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 1mww h THR 74 Cb 0.63 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1mww h THR 74 CO 0.03 0.56 0.03 0.11 0.37 0.00 0.00 175.52 176.62 1mww h LYS 75 N 0.48 0.11 -0.97 6.66 1.57 -1.25 -2.04 116.57 121.13 1mww h LYS 75 Ca -0.01 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1mww h LYS 75 Cb 1.16 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.39 1mww h LYS 75 CO 0.12 0.24 0.64 0.87 -0.57 0.00 0.00 179.45 180.74 1mww h LYS 76 N -0.04 1.17 0.15 3.15 1.57 -1.40 -2.23 116.57 118.95 1mww h LYS 76 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1mww h LYS 76 Cb 0.17 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1mww h LYS 76 CO -0.00 0.77 -0.16 -0.09 -0.57 0.00 0.00 179.45 179.40 1mww h ARG 77 N 1.20 -0.33 -0.53 3.15 2.43 -0.95 -0.95 114.38 118.40 1mww h ARG 77 Ca 0.39 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.69 1mww h ARG 77 Cb 0.04 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.59 1mww h ARG 77 CO -0.13 -0.22 0.06 1.25 -1.51 0.00 0.00 179.97 179.42 1mww h LEU 78 N -0.34 -0.10 -0.45 3.80 5.85 -1.04 0.53 115.31 123.55 1mww h LEU 78 Ca 0.00 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1mww h LEU 78 Cb 0.33 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1mww h LEU 78 CO -0.05 -0.03 0.28 0.40 -0.34 0.00 0.00 178.44 178.71 1mww h ILE 79 N 0.19 1.13 -0.55 4.05 2.04 -0.92 -0.04 117.51 123.41 1mww h ILE 79 Ca 0.27 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 1mww h ILE 79 Cb 0.41 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1mww h ILE 79 CO -0.40 0.13 -0.11 0.11 0.00 0.00 0.00 178.15 177.88 1mww h LYS 80 N 0.60 1.04 -0.80 2.37 1.57 -0.40 -1.51 116.57 119.44 1mww h LYS 80 Ca 0.16 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1mww h LYS 80 Cb -0.03 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1mww h LYS 80 CO -0.03 1.08 0.35 0.52 -0.57 0.00 0.00 179.45 180.80 1mww h MET 81 N 0.92 1.18 -0.61 3.15 2.86 0.23 -2.42 114.93 120.23 1mww h MET 81 Ca 0.14 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1mww h MET 81 Cb 0.68 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1mww h MET 81 CO 0.05 0.93 0.07 -0.07 1.06 0.00 0.00 176.91 178.95 1mww h LEU 82 N 1.15 0.96 0.05 1.22 3.38 -0.58 -2.03 115.31 119.46 1mww h LEU 82 Ca 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1mww h LEU 82 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1mww h LEU 82 CO -0.03 0.98 -0.05 -0.26 0.09 0.00 0.00 178.44 179.17 1mww h PHE 83 N 0.94 -0.13 -0.24 1.13 0.05 -0.98 -2.45 116.94 115.25 1mww h PHE 83 Ca 0.18 0.00 0.03 0.00 3.82 0.00 0.00 57.97 62.00 1mww h PHE 83 Cb 0.45 0.05 -0.04 0.00 2.00 0.00 0.00 35.95 38.41 1mww h PHE 83 CO 0.03 -0.08 -0.28 0.77 -0.18 0.00 0.00 178.31 178.57 1mww h SER 84 N -0.11 -0.96 -0.59 2.17 0.02 -1.23 -2.13 113.55 110.72 1mww h SER 84 Ca 0.01 0.13 0.12 0.00 -0.84 0.00 0.00 61.79 61.20 1mww h SER 84 Cb 0.11 0.40 -0.11 0.00 0.14 0.00 0.00 62.40 62.94 1mww h SER 84 CO -0.02 -0.19 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.04 1mww h GLU 85 N -0.17 0.03 -0.40 3.45 4.39 -1.33 0.37 114.58 120.91 1mww h GLU 85 Ca 0.04 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1mww h GLU 85 Cb 0.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1mww h GLU 85 CO -0.32 0.02 -0.00 -0.07 -1.16 0.00 0.00 179.01 177.47 1mww h LEU 86 N 0.03 0.70 0.31 1.33 3.38 -1.33 0.10 115.31 119.83 1mww h LEU 86 Ca 0.29 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1mww h LEU 86 Cb 0.45 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1mww h LEU 86 CO -0.58 0.84 -0.15 -0.08 0.09 0.00 0.00 178.44 178.56 1mww h GLU 87 N 0.54 -0.40 0.00 1.13 4.81 -1.04 0.13 114.58 119.75 1mww h GLU 87 Ca 0.11 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1mww h GLU 87 Cb 0.48 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1mww h GLU 87 CO 0.02 -0.08 -0.02 1.88 -0.73 0.00 0.00 179.01 180.08 1mww h TYR 88 N -0.94 0.00 0.00 0.92 0.05 -1.03 0.87 116.97 116.85 1mww h TYR 88 Ca -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 1mww h TYR 88 Cb 0.51 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 1mww h TYR 88 CO 0.04 0.02 -1.41 1.63 -1.05 0.00 0.00 178.16 177.40 1mww n LYS 89 N -3.11 0.32 -0.00 4.88 5.02 0.35 -4.69 118.16 120.92 1mww n LYS 89 Ca 0.02 -0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.24 1mww n LYS 89 Cb 0.45 -1.21 -0.01 0.00 -0.02 0.00 0.00 35.03 34.24 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 -1.82 0.03 -0.12 -0.35 4.32 0.21 -4.99 117.00 114.29 1mww n LEU 90 Ca -0.02 -0.28 -0.02 0.00 -0.02 0.00 0.00 56.01 55.68 1mww n LEU 90 Cb 0.24 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.03 1mww n LEU 90 CO 0.18 0.01 -0.01 0.61 -1.22 0.00 0.00 177.39 176.96 1mww n GLY 91 N 1.64 0.51 3.55 -0.72 0.00 0.30 -4.96 105.19 105.52 1mww n GLY 91 Ca 0.00 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.05 5.16 0.33 -0.61 1.01 -0.83 -4.93 121.20 119.27 1mww s ILE 92 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 1mww s ILE 92 Cb 0.00 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 1mww s ILE 92 CO 0.00 -0.09 1.30 -0.13 0.00 0.00 0.00 174.94 176.03 1mww s ARG 93 N 2.05 4.36 0.58 2.79 0.52 -1.26 -2.72 118.95 125.27 1mww s ARG 93 Ca 0.13 2.20 0.30 0.00 -0.52 0.00 0.00 55.73 57.84 1mww s ARG 93 Cb -0.16 -3.08 1.42 0.00 0.52 0.00 0.00 34.95 33.64 1mww s ARG 93 CO 0.12 -0.18 1.79 0.00 0.02 0.00 0.00 175.30 177.04 1mww h ALA 94 N 3.47 2.55 0.00 2.13 0.00 -1.93 0.38 119.26 125.86 1mww h ALA 94 Ca -0.49 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1mww h ALA 94 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1mww h ALA 94 CO 0.66 -1.06 -0.27 0.45 0.00 0.00 0.00 179.25 179.03 1mww h HIS 95 N 0.00 0.00 -0.46 0.00 -0.00 -2.00 -2.75 115.15 109.93 1mww h HIS 95 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 1mww h HIS 95 Cb 1.71 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.12 1mww h HIS 95 CO 0.00 0.27 0.00 -0.25 -0.00 0.00 0.00 177.93 177.95 1mww n ASP 96 N -3.69 4.00 -4.05 2.45 10.43 0.13 -4.87 116.55 120.95 1mww n ASP 96 Ca -0.01 -2.47 -0.26 0.00 2.57 0.00 0.00 54.79 54.62 1mww n ASP 96 Cb 0.39 -0.55 -0.17 0.00 1.84 0.00 0.00 41.12 42.63 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 -1.97 1.32 -0.06 2.53 1.01 -1.04 -0.38 120.40 121.81 1mww s VAL 97 Ca 0.39 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1mww s VAL 97 Cb 0.27 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1mww s VAL 97 CO 0.16 0.40 -0.22 -0.70 0.00 0.00 0.00 175.10 174.74 1mww s GLU 98 N 0.70 2.37 0.01 2.72 2.12 -0.73 -4.98 118.70 120.91 1mww s GLU 98 Ca -0.13 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.43 1mww s GLU 98 Cb -0.16 -1.97 -0.01 0.00 0.26 0.00 0.00 34.13 32.25 1mww s GLU 98 CO 0.03 0.29 -0.08 0.42 -0.54 0.00 0.00 175.26 175.38 1mww s ILE 99 N 0.03 0.65 -0.04 -3.70 1.01 -1.26 -1.39 121.20 116.50 1mww s ILE 99 Ca -0.07 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1mww s ILE 99 Cb -0.14 -0.59 0.03 0.00 0.01 0.00 0.00 42.46 41.77 1mww s ILE 99 CO 0.04 0.02 0.07 -0.89 0.00 0.00 0.00 174.94 174.19 1mww s THR 100 N -0.53 -0.07 -0.25 2.92 2.01 0.08 -4.97 115.64 114.83 1mww s THR 100 Ca -0.00 0.23 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 1mww s THR 100 Cb -0.05 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 1mww s THR 100 CO 0.00 0.09 0.29 -0.63 -0.69 0.00 0.00 174.62 173.68 1mww s ILE 101 N 1.24 5.25 -0.20 1.82 1.01 -1.26 -1.88 121.20 127.19 1mww s ILE 101 Ca -0.08 0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 1mww s ILE 101 Cb -0.12 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 1mww s ILE 101 CO -0.04 0.25 -0.01 -0.54 0.00 0.00 0.00 174.94 174.59 1mww s LYS 102 N 1.57 3.59 -0.05 2.79 1.02 0.17 -4.98 119.74 123.85 1mww s LYS 102 Ca 0.12 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.60 1mww s LYS 102 Cb -0.15 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 1mww s LYS 102 CO 0.08 0.02 -0.11 -1.21 -0.92 0.00 0.00 175.35 173.21 1mww s GLU 103 N 0.96 2.58 0.10 1.68 2.02 -1.26 -0.90 118.70 123.89 1mww s GLU 103 Ca 0.01 -0.65 0.06 0.00 0.02 0.00 0.00 54.97 54.41 1mww s GLU 103 Cb -0.14 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 1mww s GLU 103 CO 0.01 0.63 -0.15 -0.65 0.02 0.00 0.00 175.26 175.13 1mww s GLN 104 N -0.83 0.96 0.56 1.61 1.11 -0.76 -4.81 119.66 117.49 1mww s GLN 104 Ca 0.12 -1.12 -0.21 0.00 0.01 0.00 0.00 55.36 54.17 1mww s GLN 104 Cb -0.11 -0.95 -0.05 0.00 -1.01 0.00 0.00 33.01 30.90 1mww s GLN 104 CO 0.01 0.20 1.26 -2.30 0.01 0.00 0.00 175.29 174.48 1mww n PRO 105 N 0.90 1.48 -0.34 2.91 -0.02 -1.26 0.15 135.00 138.82 1mww n PRO 105 Ca -0.18 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 1mww n PRO 105 Cb 0.55 -2.47 0.32 0.00 -0.02 0.00 0.00 33.50 31.89 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 1.20 1.62 0.00 3.55 0.00 -1.91 0.17 119.26 123.89 1mww h ALA 106 Ca -0.50 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1mww h ALA 106 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1mww h ALA 106 CO 0.56 -0.14 0.00 -2.39 0.00 0.00 0.00 179.25 177.28 1mww n HIS 107 N -4.84 0.64 1.39 0.00 1.44 -1.26 -1.89 115.22 110.69 1mww n HIS 107 Ca 0.23 0.30 0.13 0.00 -2.01 0.00 0.00 57.72 56.37 1mww n HIS 107 Cb 0.61 -0.97 0.44 0.00 0.12 0.00 0.00 29.99 30.18 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 -1.98 3.02 -0.03 0.00 0.52 -0.79 -4.99 118.94 114.68 1mww s TRP 109 Ca 0.36 0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.52 1mww s TRP 109 Cb 0.21 -1.63 0.03 0.00 -1.15 0.00 0.00 33.47 30.93 1mww s TRP 109 CO 0.32 0.45 0.00 0.20 0.02 0.00 0.00 176.95 177.94 1mww s GLY 110 N -1.71 0.25 -0.08 0.98 0.00 -1.26 -0.28 107.32 105.23 1mww s GLY 110 Ca 0.20 0.15 -0.26 0.00 0.00 0.00 0.00 44.72 44.81 1mww s GLY 110 CO 0.12 0.64 0.61 -0.11 0.00 0.00 0.00 173.10 174.35 1mww s PHE 111 N 1.08 -0.58 -1.35 1.90 -0.71 -0.58 -4.94 117.98 112.80 1mww s PHE 111 Ca -0.09 1.08 -0.07 0.00 -1.04 0.00 0.00 56.93 56.81 1mww s PHE 111 Cb -0.13 0.32 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 1mww s PHE 111 CO -0.02 -0.52 0.47 0.54 -1.34 0.00 0.00 175.22 174.35 1mww n ARG 112 N 1.31 -2.34 -0.61 1.99 1.74 -1.26 -1.29 116.66 116.21 1mww n ARG 112 Ca -0.18 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1mww n ARG 112 Cb 0.57 -4.16 0.00 0.00 -1.02 0.00 0.00 32.46 27.85 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 -2.00 0.05 3.72 -0.13 0.00 -1.26 -4.97 105.19 100.60 1mww n GLY 113 Ca -0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.11 2.24 0.11 1.61 -1.94 -0.41 -5.13 119.30 114.67 1mww s MET 114 Ca 0.00 -1.74 -0.00 0.00 -1.71 0.00 0.00 55.69 52.23 1mww s MET 114 Cb 0.00 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.77 1mww s MET 114 CO 0.00 -0.02 0.27 0.95 -0.01 0.00 0.00 175.02 176.22 1mww s THR 115 N -2.54 5.32 0.50 2.05 -4.23 -1.26 -1.52 115.64 113.96 1mww s THR 115 Ca 0.39 -0.37 0.22 0.00 -1.18 0.00 0.00 61.69 60.76 1mww s THR 115 Cb 0.01 -3.66 0.38 0.00 1.34 0.00 0.00 72.50 70.58 1mww s THR 115 CO 0.22 0.04 1.98 1.23 -0.54 0.00 0.00 174.62 177.55 1mww h GLY 116 N 2.73 0.20 1.35 3.99 0.00 -0.11 0.32 103.07 111.55 1mww h GLY 116 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1mww h GLY 116 CO 0.73 0.02 0.00 2.09 0.00 0.00 0.00 176.54 179.38 1mww n ASP 117 N -4.41 0.00 -0.13 0.19 3.85 -1.13 -4.82 116.55 110.10 1mww n ASP 117 Ca 0.11 -0.38 0.02 0.00 -0.71 0.00 0.00 54.79 53.83 1mww n ASP 117 Cb 0.58 -0.18 0.01 0.00 -1.35 0.00 0.00 41.12 40.19 1mww n ASP 117 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57