#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoi s LYS 13 N 0.00 2.72 0.43 0.00 -0.14 -1.26 -4.93 119.74 116.57 1aoi s LYS 13 Ca 0.00 1.46 -0.25 0.00 -1.36 0.00 0.00 55.97 55.82 1aoi s LYS 13 Cb 0.00 -4.42 -0.08 0.00 -1.68 0.00 0.00 37.83 31.65 1aoi s LYS 13 CO 0.00 -2.58 1.31 0.00 -0.76 0.00 0.00 175.35 173.32 1aoi s ALA 14 N 9.54 3.18 -0.26 5.17 0.00 -1.26 -5.03 121.76 133.10 1aoi s ALA 14 Ca 0.90 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 54.08 1aoi s ALA 14 Cb -0.22 -3.50 0.12 0.00 0.00 0.00 0.00 23.12 19.52 1aoi s ALA 14 CO 0.29 -0.92 0.27 0.15 0.00 0.00 0.00 175.76 175.56 1aoi s LYS 15 N -2.39 0.28 0.18 0.00 1.02 -1.26 -5.15 119.74 112.42 1aoi s LYS 15 Ca 0.60 0.00 -0.03 0.00 0.02 0.00 0.00 55.97 56.56 1aoi s LYS 15 Cb -0.38 -0.83 -0.03 0.00 -0.52 0.00 0.00 37.83 36.07 1aoi s LYS 15 CO 0.48 -0.88 -0.17 0.25 -0.92 0.00 0.00 175.35 174.11 1aoi n THR 16 N 5.32 0.00 -0.15 2.17 -2.24 -1.26 -4.68 114.28 113.44 1aoi n THR 16 Ca -0.03 -0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1aoi n THR 16 Cb 0.47 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 1aoi n THR 16 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1aoi h ARG 17 N -0.18 0.68 -0.66 -0.78 3.08 -1.99 -2.73 114.38 111.80 1aoi h ARG 17 Ca -0.08 -0.17 0.14 0.00 0.07 0.00 0.00 59.98 59.94 1aoi h ARG 17 Cb 0.24 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.09 1aoi h ARG 17 CO 0.04 0.70 -0.05 0.77 -1.07 0.00 0.00 179.97 180.36 1aoi h SER 18 N 0.54 -0.40 -0.52 7.04 0.02 -1.85 0.97 113.55 119.36 1aoi h SER 18 Ca 0.13 0.18 0.10 0.00 -0.84 0.00 0.00 61.79 61.36 1aoi h SER 18 Cb 0.33 0.33 -0.09 0.00 0.14 0.00 0.00 62.40 63.11 1aoi h SER 18 CO 0.00 -0.16 -0.01 -1.28 -1.14 0.00 0.00 176.83 174.24 1aoi h SER 19 N 0.07 -0.25 -0.46 3.07 0.87 -1.68 0.25 113.55 115.43 1aoi h SER 19 Ca 0.34 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.97 1aoi h SER 19 Cb 0.56 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 1aoi h SER 19 CO -0.61 -0.09 0.04 0.03 -0.53 0.00 0.00 176.83 175.67 1aoi h ARG 20 N 0.11 0.78 0.00 2.24 3.08 -0.80 -2.36 114.38 117.42 1aoi h ARG 20 Ca 0.27 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1aoi h ARG 20 Cb 0.41 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1aoi h ARG 20 CO -0.45 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1aoi n ALA 21 N -2.41 2.06 -2.90 0.04 0.00 -0.35 -4.92 120.51 112.03 1aoi n ALA 21 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1aoi n ALA 21 Cb 0.27 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.38 1aoi n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aoi n GLY 22 N 0.89 0.18 3.23 0.00 0.00 0.74 -5.04 105.19 105.21 1aoi n GLY 22 Ca 0.06 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1aoi n GLY 22 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1aoi s LEU 23 N -3.89 2.46 0.08 0.99 0.05 -0.48 -5.01 118.68 112.87 1aoi s LEU 23 Ca 0.24 -1.04 -0.09 0.00 0.05 0.00 0.00 54.13 53.29 1aoi s LEU 23 Cb -0.11 -0.23 -0.24 0.00 -2.05 0.00 0.00 46.19 43.56 1aoi s LEU 23 CO 0.30 -0.41 1.16 1.56 -0.55 0.00 0.00 176.35 178.42 1aoi h GLN 24 N 2.80 0.46 -6.98 1.48 1.08 -1.96 -3.39 115.11 108.61 1aoi h GLN 24 Ca -0.36 -0.63 -0.53 0.00 -1.45 0.00 0.00 58.65 55.68 1aoi h GLN 24 Cb 1.19 0.21 0.09 0.00 -0.05 0.00 0.00 27.48 28.92 1aoi h GLN 24 CO 0.64 1.26 0.61 -0.06 -0.95 0.00 0.00 178.83 180.33 1aoi s PHE 25 N -2.95 2.69 -0.76 2.96 0.40 -1.26 -4.93 117.98 114.14 1aoi s PHE 25 Ca -0.07 1.40 -0.26 0.00 -0.60 0.00 0.00 56.93 57.41 1aoi s PHE 25 Cb 0.07 -3.68 -0.02 0.00 0.51 0.00 0.00 43.02 39.89 1aoi s PHE 25 CO 0.90 -2.25 1.80 -1.25 0.70 0.00 0.00 175.22 175.12 1aoi s PRO 26 N -2.44 2.73 0.14 0.24 0.04 -1.26 -4.73 135.00 129.73 1aoi s PRO 26 Ca 0.61 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.57 1aoi s PRO 26 Cb -0.38 -4.67 0.01 0.00 0.04 0.00 0.00 34.50 29.50 1aoi s PRO 26 CO 0.48 -2.86 1.74 0.28 0.04 0.00 0.00 177.00 176.68 1aoi h VAL 27 N 6.92 1.16 -0.21 -0.36 2.07 -1.92 -1.14 116.25 122.77 1aoi h VAL 27 Ca -0.11 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1aoi h VAL 27 Cb 1.09 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1aoi h VAL 27 CO 1.24 0.17 0.16 1.23 0.02 0.00 0.00 177.57 180.38 1aoi h GLY 28 N 0.53 0.00 0.16 2.17 0.00 -1.95 -0.96 103.07 103.03 1aoi h GLY 28 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 1aoi h GLY 28 CO -0.02 0.00 -0.19 -0.09 0.00 0.00 0.00 176.54 176.24 1aoi h ARG 29 N 0.00 0.07 -0.79 4.80 2.43 -1.77 -2.54 114.38 116.58 1aoi h ARG 29 Ca 0.10 -0.12 0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1aoi h ARG 29 Cb 0.41 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1aoi h ARG 29 CO -0.00 1.06 0.52 0.28 -1.51 0.00 0.00 179.97 180.31 1aoi h VAL 30 N -0.85 0.91 0.25 0.20 2.07 -0.86 0.78 116.25 118.75 1aoi h VAL 30 Ca -0.03 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1aoi h VAL 30 Cb 1.15 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1aoi h VAL 30 CO 0.04 0.12 -0.12 -0.74 0.02 0.00 0.00 177.57 176.89 1aoi h HIS 31 N 0.68 -0.31 -0.82 1.57 -0.00 -1.24 -0.68 115.15 114.36 1aoi h HIS 31 Ca 0.37 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.81 1aoi h HIS 31 Cb 0.53 0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.99 1aoi h HIS 31 CO -0.00 -0.06 0.53 -0.09 -0.00 0.00 0.00 177.93 178.31 1aoi h ARG 32 N -0.53 0.82 -0.05 5.26 2.43 -0.89 -2.13 114.38 119.29 1aoi h ARG 32 Ca -0.03 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1aoi h ARG 32 Cb 0.39 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1aoi h ARG 32 CO 0.06 0.54 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.97 1aoi h LEU 33 N 0.85 0.10 -0.71 3.80 3.38 -0.70 -2.69 115.31 119.34 1aoi h LEU 33 Ca 0.36 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1aoi h LEU 33 Cb 0.30 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1aoi h LEU 33 CO -0.13 0.46 0.43 -0.07 0.09 0.00 0.00 178.44 179.21 1aoi h LEU 34 N -0.26 0.67 0.73 1.67 3.38 -0.72 0.10 115.31 120.89 1aoi h LEU 34 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1aoi h LEU 34 Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1aoi h LEU 34 CO 0.01 0.45 -0.41 0.03 0.09 0.00 0.00 178.44 178.60 1aoi h ARG 35 N 0.81 -1.02 0.00 1.13 3.08 -1.43 -2.60 114.38 114.34 1aoi h ARG 35 Ca 0.30 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1aoi h ARG 35 Cb 0.10 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1aoi h ARG 35 CO -0.14 -0.68 0.00 1.63 -1.07 0.00 0.00 179.97 179.71 1aoi n LYS 36 N -5.05 0.52 0.06 0.04 5.02 -1.02 -2.44 118.16 115.29 1aoi n LYS 36 Ca -0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1aoi n LYS 36 Cb 0.43 -1.04 0.06 0.00 -0.02 0.00 0.00 35.03 34.46 1aoi n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aoi n GLY 37 N 0.03 -1.34 2.88 0.72 0.00 0.01 -4.97 105.19 102.52 1aoi n GLY 37 Ca 0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 1aoi n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aoi n ASN 38 N -2.23 -2.36 -0.10 1.61 5.03 -1.02 -4.94 115.26 111.25 1aoi n ASN 38 Ca 0.02 -0.47 -0.10 0.00 0.87 0.00 0.00 54.58 54.89 1aoi n ASN 38 Cb 0.47 -4.03 -0.16 0.00 -1.02 0.00 0.00 39.78 35.04 1aoi n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1aoi n TYR 39 N -3.50 0.00 -3.83 3.10 4.01 -1.26 -5.06 117.16 110.62 1aoi n TYR 39 Ca -0.20 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.47 1aoi n TYR 39 Cb 0.62 -1.00 0.02 0.00 -0.31 0.00 0.00 39.34 38.67 1aoi n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aoi s ALA 40 N -2.49 -1.02 -0.08 -0.72 0.00 -1.26 -5.08 121.76 111.11 1aoi s ALA 40 Ca -0.11 -0.58 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 1aoi s ALA 40 Cb 0.06 0.71 -0.14 0.00 0.00 0.00 0.00 23.12 23.74 1aoi s ALA 40 CO 0.82 -1.01 0.66 0.93 0.00 0.00 0.00 175.76 177.15 1aoi h GLU 41 N 2.00 -0.13 -5.80 0.00 4.39 -1.97 -3.47 114.58 109.60 1aoi h GLU 41 Ca -0.30 0.01 -0.55 0.00 0.34 0.00 0.00 59.36 58.86 1aoi h GLU 41 Cb 1.24 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.78 1aoi h GLU 41 CO 0.37 0.34 -0.70 1.03 -1.16 0.00 0.00 179.01 178.89 1aoi s ARG 42 N -2.74 1.63 -0.04 2.33 0.52 -1.26 -5.09 118.95 114.30 1aoi s ARG 42 Ca -0.11 -1.80 -0.00 0.00 -0.52 0.00 0.00 55.73 53.29 1aoi s ARG 42 Cb -0.00 -1.45 0.03 0.00 0.52 0.00 0.00 34.95 34.05 1aoi s ARG 42 CO 0.42 0.15 0.01 0.08 0.02 0.00 0.00 175.30 175.98 1aoi s VAL 43 N -2.78 0.15 0.73 3.52 1.01 -1.26 -5.07 120.40 116.70 1aoi s VAL 43 Ca 0.29 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.30 1aoi s VAL 43 Cb 0.01 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.14 1aoi s VAL 43 CO 0.13 0.17 1.19 -0.83 0.00 0.00 0.00 175.10 175.76 1aoi s GLY 44 N 1.44 2.28 0.41 4.51 0.00 -1.26 -4.92 107.32 109.78 1aoi s GLY 44 Ca -0.04 0.81 0.07 0.00 0.00 0.00 0.00 44.72 45.56 1aoi s GLY 44 CO -0.03 1.20 2.05 0.00 0.00 0.00 0.00 173.10 176.33 1aoi h ALA 45 N -0.33 1.70 0.00 3.20 0.00 -2.04 -3.05 119.26 118.73 1aoi h ALA 45 Ca -0.47 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1aoi h ALA 45 Cb 1.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1aoi h ALA 45 CO 0.50 0.27 -0.87 0.78 0.00 0.00 0.00 179.25 179.93 1aoi h GLY 46 N 0.55 0.00 0.27 0.00 0.00 -2.01 -3.39 103.07 98.49 1aoi h GLY 46 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.50 1aoi h GLY 46 CO -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.17 1aoi h ALA 47 N 1.71 -0.51 -0.20 3.60 0.00 -1.91 0.18 119.26 122.13 1aoi h ALA 47 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1aoi h ALA 47 Cb 1.27 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1aoi h ALA 47 CO 0.03 -0.86 0.09 -1.00 0.00 0.00 0.00 179.25 177.51 1aoi h PRO 48 N -0.49 0.27 -0.03 0.00 0.13 -1.75 0.10 132.00 130.23 1aoi h PRO 48 Ca 0.06 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1aoi h PRO 48 Cb 0.58 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1aoi h PRO 48 CO -0.28 0.22 -0.00 0.28 -0.23 0.00 0.00 178.00 177.99 1aoi h VAL 49 N 0.28 1.27 0.05 1.56 2.07 -1.44 0.05 116.25 120.09 1aoi h VAL 49 Ca 0.07 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1aoi h VAL 49 Cb 0.04 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1aoi h VAL 49 CO -0.01 0.22 -0.14 0.22 0.02 0.00 0.00 177.57 177.87 1aoi h TYR 50 N -0.27 -0.37 -0.62 1.57 5.03 -0.03 -1.47 116.97 120.80 1aoi h TYR 50 Ca 0.01 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.35 1aoi h TYR 50 Cb 0.35 0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 1aoi h TYR 50 CO 0.04 -0.22 0.39 1.25 -1.32 0.00 0.00 178.16 178.31 1aoi h LEU 51 N -0.27 0.66 -0.48 2.82 5.85 -0.80 -2.11 115.31 120.99 1aoi h LEU 51 Ca 0.03 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1aoi h LEU 51 Cb 0.30 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1aoi h LEU 51 CO -0.11 0.47 0.25 0.00 -0.34 0.00 0.00 178.44 178.71 1aoi h ALA 52 N 1.25 0.61 -0.38 1.25 0.00 -0.60 -0.80 119.26 120.59 1aoi h ALA 52 Ca 0.24 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1aoi h ALA 52 Cb -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1aoi h ALA 52 CO -0.08 -0.09 0.09 0.00 0.00 0.00 0.00 179.25 179.17 1aoi h ALA 53 N 1.25 0.42 -0.23 0.00 0.00 -0.95 -0.78 119.26 118.96 1aoi h ALA 53 Ca 0.20 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1aoi h ALA 53 Cb 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1aoi h ALA 53 CO -0.13 -0.31 0.13 0.28 0.00 0.00 0.00 179.25 179.22 1aoi h VAL 54 N 0.23 1.11 0.05 0.00 2.07 -0.71 -0.55 116.25 118.44 1aoi h VAL 54 Ca 0.18 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1aoi h VAL 54 Cb 0.20 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1aoi h VAL 54 CO -0.22 0.11 -0.06 -0.07 0.02 0.00 0.00 177.57 177.35 1aoi h LEU 55 N 0.26 -0.16 0.12 2.57 3.38 -0.91 -1.34 115.31 119.24 1aoi h LEU 55 Ca 0.08 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1aoi h LEU 55 Cb 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1aoi h LEU 55 CO -0.01 -0.09 -0.18 -0.08 0.09 0.00 0.00 178.44 178.16 1aoi h GLU 56 N -0.13 -0.35 -0.37 1.13 4.81 -1.12 -0.53 114.58 118.02 1aoi h GLU 56 Ca 0.01 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1aoi h GLU 56 Cb 0.13 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.52 1aoi h GLU 56 CO -0.03 -0.24 -0.15 -0.92 -0.73 0.00 0.00 179.01 176.95 1aoi h TYR 57 N -0.37 -0.36 -0.38 0.92 3.20 -0.88 -0.18 116.97 118.92 1aoi h TYR 57 Ca 0.02 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1aoi h TYR 57 Cb 0.38 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1aoi h TYR 57 CO -0.18 -0.23 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.04 1aoi h LEU 58 N -0.08 0.58 -0.58 2.82 3.38 -1.09 -1.40 115.31 118.95 1aoi h LEU 58 Ca 0.19 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1aoi h LEU 58 Cb 0.36 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1aoi h LEU 58 CO -0.43 0.66 0.36 0.74 0.09 0.00 0.00 178.44 179.86 1aoi h THR 59 N 0.58 1.07 -0.65 0.22 2.02 0.08 -1.58 112.91 114.65 1aoi h THR 59 Ca 0.12 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1aoi h THR 59 Cb 0.39 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1aoi h THR 59 CO 0.02 0.13 0.30 0.00 0.37 0.00 0.00 175.52 176.33 1aoi h ALA 60 N 1.26 0.84 0.30 6.16 0.00 -0.70 -1.26 119.26 125.86 1aoi h ALA 60 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1aoi h ALA 60 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1aoi h ALA 60 CO -0.10 0.43 -0.46 1.49 0.00 0.00 0.00 179.25 180.61 1aoi h GLU 61 N 0.91 -0.79 -0.02 0.00 4.57 -0.48 0.11 114.58 118.89 1aoi h GLU 61 Ca 0.22 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1aoi h GLU 61 Cb 0.15 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1aoi h GLU 61 CO -0.02 -0.52 -0.07 0.82 -1.18 0.00 0.00 179.01 178.03 1aoi h ILE 62 N -0.82 0.82 -0.96 2.32 2.04 -1.22 -2.38 117.51 117.31 1aoi h ILE 62 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1aoi h ILE 62 Cb 0.77 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 1aoi h ILE 62 CO -0.16 0.00 0.60 -0.07 0.00 0.00 0.00 178.15 178.52 1aoi h LEU 63 N -0.11 0.91 0.13 1.44 3.38 -1.01 0.63 115.31 120.68 1aoi h LEU 63 Ca 0.04 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1aoi h LEU 63 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1aoi h LEU 63 CO -0.09 0.53 -0.20 -0.08 0.09 0.00 0.00 178.44 178.69 1aoi h GLU 64 N 1.01 -0.33 -0.79 1.13 4.57 -0.44 0.37 114.58 120.11 1aoi h GLU 64 Ca 0.45 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.79 1aoi h GLU 64 Cb 0.34 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.91 1aoi h GLU 64 CO -0.22 -0.22 0.36 -0.07 -1.18 0.00 0.00 179.01 177.67 1aoi h LEU 65 N -0.35 0.39 -0.48 1.64 3.38 -0.91 -0.25 115.31 118.73 1aoi h LEU 65 Ca -0.01 0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1aoi h LEU 65 Cb 0.32 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1aoi h LEU 65 CO -0.07 0.16 -0.66 0.00 0.09 0.00 0.00 178.44 177.96 1aoi h ALA 66 N 1.54 0.67 -0.49 1.53 0.00 -0.76 -2.11 119.26 119.65 1aoi h ALA 66 Ca 0.43 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1aoi h ALA 66 Cb 0.63 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1aoi h ALA 66 CO -0.38 0.74 0.27 0.78 0.00 0.00 0.00 179.25 180.66 1aoi h GLY 67 N 1.27 0.69 0.97 0.00 0.00 0.14 -1.11 103.07 105.04 1aoi h GLY 67 Ca -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1aoi h GLY 67 CO 0.11 0.14 0.18 3.43 0.00 0.00 0.00 176.54 180.41 1aoi h ASN 68 N 0.53 0.31 -0.61 0.19 2.35 -1.06 -2.30 115.58 114.98 1aoi h ASN 68 Ca 0.21 -0.00 0.10 0.00 -0.55 0.00 0.00 56.30 56.06 1aoi h ASN 68 Cb 0.08 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 38.30 1aoi h ASN 68 CO -0.13 0.23 0.20 0.00 -1.65 0.00 0.00 177.43 176.08 1aoi h ALA 69 N 1.12 0.78 0.25 -0.83 0.00 -0.75 -0.96 119.26 118.86 1aoi h ALA 69 Ca 0.11 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1aoi h ALA 69 Cb -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1aoi h ALA 69 CO -0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 179.25 178.68 1aoi h ALA 70 N 1.44 -0.60 -1.00 0.00 0.00 -0.81 -1.47 119.26 116.82 1aoi h ALA 70 Ca 0.32 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.35 1aoi h ALA 70 Cb 0.42 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 1aoi h ALA 70 CO -0.34 -0.88 0.60 -0.09 0.00 0.00 0.00 179.25 178.54 1aoi h ARG 71 N -0.60 0.67 -0.63 0.00 2.43 -0.88 0.54 114.38 115.90 1aoi h ARG 71 Ca -0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1aoi h ARG 71 Cb 0.57 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1aoi h ARG 71 CO -0.10 0.44 0.11 -0.44 -1.51 0.00 0.00 179.97 178.48 1aoi h ASP 72 N 0.69 0.98 -0.09 -3.80 3.32 -0.44 -1.19 116.42 115.90 1aoi h ASP 72 Ca 0.60 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1aoi h ASP 72 Cb 1.01 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1aoi h ASP 72 CO -0.42 0.97 0.00 0.59 -1.72 0.00 0.00 179.24 178.66 1aoi n ASN 73 N -4.22 0.68 -3.24 6.45 3.02 -0.06 -4.91 115.26 112.97 1aoi n ASN 73 Ca 0.04 -1.66 -0.15 0.00 -0.03 0.00 0.00 54.58 52.78 1aoi n ASN 73 Cb 0.28 -0.06 0.07 0.00 -0.61 0.00 0.00 39.78 39.46 1aoi n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1aoi n LYS 74 N -0.28 -3.28 -4.05 3.52 5.02 -0.37 -5.04 118.16 113.68 1aoi n LYS 74 Ca 0.12 0.84 -0.13 0.00 -2.02 0.00 0.00 58.31 57.12 1aoi n LYS 74 Cb 0.15 -5.73 -0.12 0.00 -0.02 0.00 0.00 35.03 29.31 1aoi n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1aoi s LYS 75 N -4.60 0.40 -0.17 1.97 -0.14 -0.02 -4.98 119.74 112.20 1aoi s LYS 75 Ca 0.33 -0.50 -0.25 0.00 -1.36 0.00 0.00 55.97 54.20 1aoi s LYS 75 Cb -0.04 -0.21 -0.23 0.00 -1.68 0.00 0.00 37.83 35.67 1aoi s LYS 75 CO 0.72 0.04 0.47 1.15 -0.76 0.00 0.00 175.35 176.97 1aoi h THR 76 N 4.73 1.30 -3.49 2.17 2.02 -1.96 -3.25 112.91 114.43 1aoi h THR 76 Ca -0.32 -2.26 -0.60 0.00 0.77 0.00 0.00 66.41 63.99 1aoi h THR 76 Cb 1.20 2.76 -0.11 0.00 -1.74 0.00 0.00 68.15 70.26 1aoi h THR 76 CO 0.44 0.46 -0.02 -0.13 0.37 0.00 0.00 175.52 176.65 1aoi s ARG 77 N -2.31 4.15 0.03 6.66 0.52 -1.26 -4.99 118.95 121.76 1aoi s ARG 77 Ca -0.24 0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 55.07 1aoi s ARG 77 Cb 0.02 -3.59 -0.06 0.00 0.52 0.00 0.00 34.95 31.84 1aoi s ARG 77 CO 0.64 -0.22 1.40 0.42 0.02 0.00 0.00 175.30 177.56 1aoi s ILE 78 N 1.88 3.60 0.40 1.52 1.01 -1.26 -5.02 121.20 123.34 1aoi s ILE 78 Ca 0.23 1.05 0.06 0.00 0.00 0.00 0.00 60.65 62.00 1aoi s ILE 78 Cb -0.15 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 1aoi s ILE 78 CO 0.09 0.02 0.02 0.27 0.00 0.00 0.00 174.94 175.34 1aoi s ILE 79 N 2.03 1.83 0.27 2.92 -4.36 -1.26 -5.01 121.20 117.62 1aoi s ILE 79 Ca 0.64 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 59.01 1aoi s ILE 79 Cb -0.33 -2.92 0.33 0.00 1.25 0.00 0.00 42.46 40.79 1aoi s ILE 79 CO 0.28 0.00 1.62 -0.65 0.24 0.00 0.00 174.94 176.43 1aoi h PRO 80 N 1.79 0.10 -0.68 0.37 0.11 -1.88 0.79 132.00 132.61 1aoi h PRO 80 Ca -0.43 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.82 1aoi h PRO 80 Cb 1.25 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1aoi h PRO 80 CO 0.79 0.07 0.46 -0.09 -0.21 0.00 0.00 178.00 179.02 1aoi h ARG 81 N 0.10 0.29 -0.14 1.05 9.65 -1.79 -0.26 114.38 123.28 1aoi h ARG 81 Ca 0.50 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.31 1aoi h ARG 81 Cb 0.96 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1aoi h ARG 81 CO -0.74 0.19 -0.12 0.45 2.80 0.00 0.00 179.97 182.55 1aoi h HIS 82 N 0.30 0.39 -0.79 2.20 3.86 -1.20 -0.10 115.15 119.81 1aoi h HIS 82 Ca 0.33 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.45 1aoi h HIS 82 Cb 0.88 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.22 1aoi h HIS 82 CO -0.00 0.71 0.51 -0.07 0.86 0.00 0.00 177.93 179.94 1aoi h LEU 83 N -0.05 0.86 0.39 2.43 3.38 -0.83 0.09 115.31 121.58 1aoi h LEU 83 Ca 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1aoi h LEU 83 Cb 0.64 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1aoi h LEU 83 CO 0.03 0.60 -0.19 -0.61 0.09 0.00 0.00 178.44 178.36 1aoi h GLN 84 N 1.01 -0.51 -0.47 1.13 5.75 -1.08 -0.76 115.11 120.18 1aoi h GLN 84 Ca 0.31 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.92 1aoi h GLN 84 Cb -0.03 0.12 -0.07 0.00 1.07 0.00 0.00 27.48 28.57 1aoi h GLN 84 CO -0.10 -0.25 0.09 -0.07 -2.65 0.00 0.00 178.83 175.86 1aoi h LEU 85 N -0.71 -0.00 -0.17 -2.39 3.38 -0.84 -0.20 115.31 114.38 1aoi h LEU 85 Ca -0.05 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1aoi h LEU 85 Cb 0.50 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1aoi h LEU 85 CO 0.09 0.03 -0.19 0.00 0.09 0.00 0.00 178.44 178.46 1aoi h ALA 86 N 1.37 -0.10 0.56 1.53 0.00 -0.81 -2.61 119.26 119.20 1aoi h ALA 86 Ca 0.23 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1aoi h ALA 86 Cb 0.31 0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1aoi h ALA 86 CO -0.31 -0.63 -0.27 0.28 0.00 0.00 0.00 179.25 178.32 1aoi h VAL 87 N -0.22 0.35 0.00 0.00 2.07 -0.61 -3.16 116.25 114.67 1aoi h VAL 87 Ca 0.11 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1aoi h VAL 87 Cb 0.39 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1aoi h VAL 87 CO -0.30 0.04 0.00 0.54 0.02 0.00 0.00 177.57 177.87 1aoi n ARG 88 N -5.33 0.11 0.00 1.57 5.12 -0.13 -1.78 116.66 116.21 1aoi n ARG 88 Ca -0.12 0.17 0.13 0.00 -1.93 0.00 0.00 57.85 56.10 1aoi n ARG 88 Cb 0.33 -1.50 0.31 0.00 -1.16 0.00 0.00 32.46 30.44 1aoi n ARG 88 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1aoi n ASN 89 N -1.40 1.67 -4.15 0.55 4.13 -0.98 -4.79 115.26 110.27 1aoi n ASN 89 Ca 0.06 -1.37 -0.33 0.00 1.68 0.00 0.00 54.58 54.62 1aoi n ASN 89 Cb 0.17 0.14 -0.15 0.00 -1.54 0.00 0.00 39.78 38.39 1aoi n ASN 89 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1aoi s ASP 90 N -2.27 3.56 0.20 6.41 2.15 -0.74 -5.04 116.67 120.94 1aoi s ASP 90 Ca 0.28 -0.70 -0.17 0.00 0.43 0.00 0.00 52.55 52.39 1aoi s ASP 90 Cb 0.20 -1.55 0.17 0.00 -0.30 0.00 0.00 42.92 41.44 1aoi s ASP 90 CO 0.44 -0.03 1.61 -0.33 -0.17 0.00 0.00 175.17 176.69 1aoi h GLU 91 N 7.96 -0.09 -0.04 4.34 4.39 -1.87 -1.58 114.58 127.70 1aoi h GLU 91 Ca -0.41 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 1aoi h GLU 91 Cb 1.13 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1aoi h GLU 91 CO 0.61 -0.06 -0.03 0.93 -1.16 0.00 0.00 179.01 179.30 1aoi h GLU 92 N -0.09 0.09 -0.41 2.33 5.08 -1.96 -2.24 114.58 117.37 1aoi h GLU 92 Ca 0.26 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1aoi h GLU 92 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1aoi h GLU 92 CO -0.64 0.53 0.16 -0.07 -1.00 0.00 0.00 179.01 178.00 1aoi h LEU 93 N -0.35 0.52 -0.49 1.33 3.38 -1.82 -0.91 115.31 116.96 1aoi h LEU 93 Ca 0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1aoi h LEU 93 Cb 0.51 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1aoi h LEU 93 CO 0.01 0.47 0.13 -1.13 0.09 0.00 0.00 178.44 178.01 1aoi h ASN 94 N 0.57 0.74 -0.08 -0.43 -1.24 -1.20 -1.55 115.58 112.40 1aoi h ASN 94 Ca 0.14 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 1aoi h ASN 94 Cb 0.12 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 1aoi h ASN 94 CO -0.01 0.77 0.02 0.50 -1.29 0.00 0.00 177.43 177.41 1aoi h LYS 95 N 0.67 0.12 -0.13 6.67 3.64 -1.05 -0.48 116.57 126.02 1aoi h LYS 95 Ca 0.16 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1aoi h LYS 95 Cb 0.31 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1aoi h LYS 95 CO -0.00 0.30 0.22 1.25 -2.27 0.00 0.00 179.45 178.95 1aoi h LEU 96 N -0.08 0.00 -2.97 5.20 5.85 -0.97 -1.22 115.31 121.12 1aoi h LEU 96 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1aoi h LEU 96 Cb 0.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1aoi h LEU 96 CO -0.00 0.00 -0.27 0.18 -0.34 0.00 0.00 178.44 178.01 1aoi n LEU 97 N -3.46 2.42 0.18 2.25 4.77 -0.60 -4.82 117.00 117.73 1aoi n LEU 97 Ca 0.00 -3.39 0.15 0.00 -0.03 0.00 0.00 56.01 52.74 1aoi n LEU 97 Cb 0.32 -0.45 0.75 0.00 -2.33 0.00 0.00 43.42 41.70 1aoi n LEU 97 CO 0.23 1.02 1.13 1.23 -1.33 0.00 0.00 177.39 179.67 1aoi h GLY 98 N 0.49 0.00 -2.14 -0.72 0.00 0.19 0.13 103.07 101.02 1aoi h GLY 98 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1aoi h GLY 98 CO 0.00 0.00 0.04 0.54 0.00 0.00 0.00 176.54 177.12 1aoi n ARG 99 N -4.16 2.90 -4.60 4.80 1.74 -1.26 -4.93 116.66 111.15 1aoi n ARG 99 Ca 0.02 -2.97 -0.33 0.00 -0.77 0.00 0.00 57.85 53.79 1aoi n ARG 99 Cb 0.31 -1.92 -0.15 0.00 -1.02 0.00 0.00 32.46 29.68 1aoi n ARG 99 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1aoi s VAL 100 N -2.95 2.72 -0.21 1.55 1.01 0.03 -5.10 120.40 117.44 1aoi s VAL 100 Ca 0.46 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 1aoi s VAL 100 Cb 0.38 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1aoi s VAL 100 CO 0.08 0.52 -0.01 0.28 0.00 0.00 0.00 175.10 175.97 1aoi s THR 101 N 0.71 3.77 -0.37 3.92 -1.32 -1.26 -4.99 115.64 116.11 1aoi s THR 101 Ca -0.07 -0.36 -0.23 0.00 -1.21 0.00 0.00 61.69 59.82 1aoi s THR 101 Cb -0.16 -2.72 0.01 0.00 -1.51 0.00 0.00 72.50 68.13 1aoi s THR 101 CO 0.01 0.41 0.75 -0.63 -2.21 0.00 0.00 174.62 172.96 1aoi s ILE 102 N 1.26 4.76 0.50 5.08 1.01 -1.26 -5.03 121.20 127.52 1aoi s ILE 102 Ca 0.04 0.79 -0.23 0.00 0.00 0.00 0.00 60.65 61.24 1aoi s ILE 102 Cb -0.15 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 1aoi s ILE 102 CO 0.00 -0.43 1.27 0.00 0.00 0.00 0.00 174.94 175.78 1aoi n ALA 103 N 6.36 1.29 -2.72 9.38 0.00 -1.26 -2.35 120.51 131.21 1aoi n ALA 103 Ca 0.02 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 1aoi n ALA 103 Cb 0.48 -2.29 -0.00 0.00 0.00 0.00 0.00 19.45 17.65 1aoi n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1aoi n GLN 104 N -0.53 -2.78 -0.05 0.00 1.13 -1.26 -4.82 117.38 109.08 1aoi n GLN 104 Ca 0.09 0.65 0.01 0.00 -1.94 0.00 0.00 57.00 55.81 1aoi n GLN 104 Cb 0.43 -5.32 -0.16 0.00 0.11 0.00 0.00 30.24 25.30 1aoi n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aoi n GLY 105 N -1.00 -0.94 7.00 1.08 0.00 -0.99 -3.27 105.19 107.06 1aoi n GLY 105 Ca -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1aoi n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aoi n GLY 106 N 1.57 -0.26 3.73 -0.02 0.00 -1.26 -4.57 105.19 104.38 1aoi n GLY 106 Ca -0.17 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 1aoi n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aoi s VAL 107 N 0.00 1.79 0.02 1.61 -7.23 -1.26 -5.00 120.40 110.33 1aoi s VAL 107 Ca 0.00 -1.85 -0.22 0.00 -1.81 0.00 0.00 61.98 58.11 1aoi s VAL 107 Cb 0.00 -2.64 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 1aoi s VAL 107 CO 0.00 0.00 0.65 -0.76 -0.31 0.00 0.00 175.10 174.68 1aoi s LEU 108 N -3.89 4.44 0.18 1.32 1.43 -1.26 -5.01 118.68 115.88 1aoi s LEU 108 Ca 0.28 1.26 -0.32 0.00 -1.03 0.00 0.00 54.13 54.32 1aoi s LEU 108 Cb 0.04 -3.02 -0.12 0.00 0.03 0.00 0.00 46.19 43.13 1aoi s LEU 108 CO 0.15 0.09 1.74 -0.81 0.23 0.00 0.00 176.35 177.76 1aoi n PRO 109 N 2.65 2.72 -3.43 1.29 -0.04 -1.26 -4.94 135.00 131.99 1aoi n PRO 109 Ca -0.06 0.98 0.01 0.00 -0.04 0.00 0.00 63.50 64.40 1aoi n PRO 109 Cb 0.51 -2.84 -0.04 0.00 -0.04 0.00 0.00 33.50 31.09 1aoi n PRO 109 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1aoi s ASN 110 N 1.59 -0.63 -0.12 3.54 2.47 -1.26 -5.16 114.94 115.37 1aoi s ASN 110 Ca 0.77 0.86 0.01 0.00 0.42 0.00 0.00 52.86 54.92 1aoi s ASN 110 Cb -0.52 1.70 0.02 0.00 -1.45 0.00 0.00 41.25 41.00 1aoi s ASN 110 CO 0.34 -0.12 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.85 1aoi s ILE 111 N 2.45 1.37 -0.19 -5.21 1.01 -1.26 -5.09 121.20 114.28 1aoi s ILE 111 Ca -0.03 -0.52 -0.38 0.00 0.00 0.00 0.00 60.65 59.72 1aoi s ILE 111 Cb -0.06 -1.30 -0.14 0.00 0.01 0.00 0.00 42.46 40.96 1aoi s ILE 111 CO -0.18 0.42 1.79 0.00 0.00 0.00 0.00 174.94 176.98 1aoi n GLN 112 N 4.64 1.58 -0.31 2.79 1.13 -1.26 -4.82 117.38 121.14 1aoi n GLN 112 Ca -0.16 0.58 0.26 0.00 -1.94 0.00 0.00 57.00 55.74 1aoi n GLN 112 Cb 0.50 -2.33 0.59 0.00 0.11 0.00 0.00 30.24 29.11 1aoi n GLN 112 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1aoi h SER 113 N 7.95 0.30 0.07 1.08 4.64 -1.98 0.19 113.55 125.79 1aoi h SER 113 Ca -0.47 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1aoi h SER 113 Cb 1.30 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1aoi h SER 113 CO 0.95 0.06 0.00 0.58 -0.87 0.00 0.00 176.83 177.55 1aoi h VAL 114 N 0.26 0.00 -0.00 0.95 2.07 -2.02 -1.50 116.25 116.01 1aoi h VAL 114 Ca 0.57 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 68.06 1aoi h VAL 114 Cb 1.70 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1aoi h VAL 114 CO -0.20 0.00 -0.67 0.18 0.02 0.00 0.00 177.57 176.90 1aoi n LEU 115 N -2.73 0.75 -4.79 2.57 4.77 0.66 -4.97 117.00 113.27 1aoi n LEU 115 Ca -0.02 -0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.42 1aoi n LEU 115 Cb 0.07 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1aoi n LEU 115 CO 0.16 0.18 0.72 -0.76 -1.33 0.00 0.00 177.39 176.36 1aoi s LEU 116 N -2.96 3.30 0.49 2.23 1.43 -0.57 -4.97 118.68 117.63 1aoi s LEU 116 Ca 0.11 1.85 -0.22 0.00 -1.03 0.00 0.00 54.13 54.84 1aoi s LEU 116 Cb 0.17 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 1aoi s LEU 116 CO 0.75 -1.57 0.98 -2.65 0.23 0.00 0.00 176.35 174.09 1aoi n PRO 117 N -2.66 1.18 0.16 1.29 -0.02 -1.26 -4.92 135.00 128.77 1aoi n PRO 117 Ca 0.09 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1aoi n PRO 117 Cb 0.53 -2.08 0.54 0.00 -0.02 0.00 0.00 33.50 32.47 1aoi n PRO 117 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1aoi h LYS 118 N 1.13 0.00 0.00 -0.52 1.57 -1.97 -3.53 116.57 113.25 1aoi h LYS 118 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1aoi h LYS 118 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1aoi h LYS 118 CO 0.54 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.05