#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg2 n PRO 2 N 0.00 1.71 -4.45 0.00 -0.02 -1.26 -5.00 135.00 125.99 1mg2 n PRO 2 Ca 0.00 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 1mg2 n PRO 2 Cb 0.00 -2.35 -0.12 0.00 -0.02 0.00 0.00 33.50 31.01 1mg2 n PRO 2 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1mg2 s GLN 3 N -2.36 3.41 -0.27 -0.52 -2.07 -1.26 -5.00 119.66 111.59 1mg2 s GLN 3 Ca 0.65 -0.51 -0.08 0.00 -1.82 0.00 0.00 55.36 53.59 1mg2 s GLN 3 Cb -0.49 -2.84 -0.02 0.00 -1.09 0.00 0.00 33.01 28.57 1mg2 s GLN 3 CO 0.55 0.38 0.09 -0.06 -1.32 0.00 0.00 175.29 174.93 1mg2 s PHE 4 N -0.01 3.12 0.11 9.60 0.08 -1.26 -5.07 117.98 124.55 1mg2 s PHE 4 Ca 0.01 -0.47 0.08 0.00 0.12 0.00 0.00 56.93 56.67 1mg2 s PHE 4 Cb -0.13 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1mg2 s PHE 4 CO 0.03 -0.38 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.51 1mg2 s PHE 5 N 1.61 1.70 0.13 0.36 0.08 -1.26 -1.63 117.98 118.98 1mg2 s PHE 5 Ca 0.06 -0.44 -0.31 0.00 0.12 0.00 0.00 56.93 56.35 1mg2 s PHE 5 Cb -0.16 -0.91 -0.09 0.00 -0.57 0.00 0.00 43.02 41.29 1mg2 s PHE 5 CO 0.04 0.21 1.56 1.21 -0.10 0.00 0.00 175.22 178.14 1mg2 s ASN 6 N -2.10 6.63 0.58 1.36 3.84 0.11 -4.82 114.94 120.55 1mg2 s ASN 6 Ca 0.08 2.53 0.33 0.00 0.21 0.00 0.00 52.86 56.01 1mg2 s ASN 6 Cb -0.09 -2.58 1.82 0.00 -0.55 0.00 0.00 41.25 39.84 1mg2 s ASN 6 CO 0.04 -0.81 2.20 0.16 -2.79 0.00 0.00 177.10 175.91 1mg2 h ILE 7 N 4.26 0.37 0.01 -5.21 3.07 -1.81 -1.93 117.51 116.27 1mg2 h ILE 7 Ca -0.42 -0.23 -0.42 0.00 1.55 0.00 0.00 64.86 65.34 1mg2 h ILE 7 Cb 1.20 1.16 -0.06 0.00 -0.27 0.00 0.00 36.82 38.85 1mg2 h ILE 7 CO 0.91 0.04 -2.36 2.30 -1.05 0.00 0.00 178.15 178.00 1mg2 n ILE 8 N -3.52 1.53 -0.74 0.16 -5.35 -1.26 -4.67 119.36 105.51 1mg2 n ILE 8 Ca -0.02 -0.41 0.08 0.00 -0.27 0.00 0.00 62.75 62.13 1mg2 n ILE 8 Cb 0.15 -1.77 0.27 0.00 -1.74 0.00 0.00 39.64 36.55 1mg2 n ILE 8 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1mg2 n ASP 9 N -3.97 4.07 0.00 7.28 3.85 -1.24 -4.99 116.55 121.56 1mg2 n ASP 9 Ca -0.49 -2.69 0.00 0.00 -0.71 0.00 0.00 54.79 50.91 1mg2 n ASP 9 Cb 0.90 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 1mg2 n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1mg2 n GLY 10 N 0.15 0.00 3.73 6.12 0.00 -0.72 -4.94 105.19 109.52 1mg2 n GLY 10 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1mg2 n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mg2 s SER 11 N -1.78 4.65 0.45 1.61 1.04 -1.26 -4.39 113.70 114.02 1mg2 s SER 11 Ca 0.00 2.52 -0.24 0.00 0.48 0.00 0.00 55.95 58.71 1mg2 s SER 11 Cb 0.00 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 1mg2 s SER 11 CO 0.00 -1.97 1.22 -2.16 0.98 0.00 0.00 173.24 171.31 1mg2 s PRO 12 N -3.48 3.77 0.00 4.02 0.04 -1.26 0.07 135.00 138.16 1mg2 s PRO 12 Ca 0.80 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 1mg2 s PRO 12 Cb -0.34 -2.51 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 1mg2 s PRO 12 CO 0.39 -0.58 1.34 -0.51 0.04 0.00 0.00 177.00 177.68 1mg2 s LEU 13 N -2.87 4.32 -0.78 -3.56 1.43 -0.64 -4.75 118.68 111.82 1mg2 s LEU 13 Ca 0.62 2.06 -0.22 0.00 -1.03 0.00 0.00 54.13 55.55 1mg2 s LEU 13 Cb -0.32 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.41 1mg2 s LEU 13 CO 0.40 -0.67 1.12 0.21 0.23 0.00 0.00 176.35 177.64 1mg2 s ASN 14 N 1.68 6.32 0.00 2.29 3.84 -1.26 -4.86 114.94 122.95 1mg2 s ASN 14 Ca 0.62 -1.20 0.15 0.00 0.21 0.00 0.00 52.86 52.64 1mg2 s ASN 14 Cb -0.30 -2.46 0.71 0.00 -0.55 0.00 0.00 41.25 38.65 1mg2 s ASN 14 CO 0.26 -1.43 1.46 0.49 -2.79 0.00 0.00 177.10 175.09 1mg2 n PHE 15 N 7.88 0.00 0.37 0.43 3.01 -1.26 -2.18 117.46 125.71 1mg2 n PHE 15 Ca 0.09 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.68 1mg2 n PHE 15 Cb 0.48 -0.40 0.54 0.00 -0.01 0.00 0.00 39.48 40.09 1mg2 n PHE 15 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1mg2 h ASP 16 N 0.00 0.00 0.45 4.37 3.45 -2.02 -1.21 116.42 121.46 1mg2 h ASP 16 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1mg2 h ASP 16 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1mg2 h ASP 16 CO 0.00 0.00 -0.33 0.47 -1.57 0.00 0.00 179.24 177.81 1mg2 n ASP 17 N -2.53 0.61 -4.75 6.45 8.00 -0.93 -4.90 116.55 118.51 1mg2 n ASP 17 Ca 0.02 -0.42 -0.36 0.00 0.71 0.00 0.00 54.79 54.74 1mg2 n ASP 17 Cb 0.27 0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.52 1mg2 n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg2 s ALA 18 N -2.78 2.48 0.35 2.24 0.00 -0.46 -4.73 121.76 118.86 1mg2 s ALA 18 Ca 0.18 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 1mg2 s ALA 18 Cb 0.19 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 1mg2 s ALA 18 CO 0.60 -1.31 1.26 -1.64 0.00 0.00 0.00 175.76 174.67 1mg2 s MET 19 N -3.39 4.29 0.54 0.00 -1.94 -1.26 -4.90 119.30 112.64 1mg2 s MET 19 Ca 0.78 2.09 0.22 0.00 -1.71 0.00 0.00 55.69 57.07 1mg2 s MET 19 Cb -0.32 -2.98 1.40 0.00 2.01 0.00 0.00 34.83 34.94 1mg2 s MET 19 CO 0.35 -0.20 2.09 1.05 -0.01 0.00 0.00 175.02 178.31 1mg2 h GLU 20 N 3.22 0.00 -6.18 2.03 9.09 -1.96 -3.40 114.58 117.38 1mg2 h GLU 20 Ca -0.49 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.37 1mg2 h GLU 20 Cb 1.23 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.30 1mg2 h GLU 20 CO 0.65 0.00 -0.34 -1.83 0.05 0.00 0.00 179.01 177.53 1mg2 s GLU 21 N -4.97 3.54 -1.74 1.06 -1.05 -1.26 -4.40 118.70 109.88 1mg2 s GLU 21 Ca -0.05 -0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 1mg2 s GLU 21 Cb 0.18 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 1mg2 s GLU 21 CO 0.67 0.44 0.00 0.41 0.95 0.00 0.00 175.26 177.73 1mg2 n GLY 22 N -0.37 0.60 0.40 -3.83 0.00 -1.26 -4.51 105.19 96.21 1mg2 n GLY 22 Ca -0.04 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1mg2 n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mg2 n ARG 23 N -2.63 1.52 -0.60 1.61 1.85 -1.26 -1.31 116.66 115.84 1mg2 n ARG 23 Ca -0.20 -0.94 0.05 0.00 -1.00 0.00 0.00 57.85 55.76 1mg2 n ARG 23 Cb 0.64 -1.21 0.09 0.00 -1.05 0.00 0.00 32.46 30.93 1mg2 n ARG 23 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1mg2 n ASP 24 N 0.18 1.30 -4.03 2.89 5.68 -1.26 -4.77 116.55 116.54 1mg2 n ASP 24 Ca 0.06 -2.77 -0.30 0.00 -0.50 0.00 0.00 54.79 51.29 1mg2 n ASP 24 Cb 0.30 -0.37 0.22 0.00 -1.14 0.00 0.00 41.12 40.14 1mg2 n ASP 24 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1mg2 s THR 25 N -1.61 1.72 0.11 2.12 -4.23 -1.26 -4.78 115.64 107.72 1mg2 s THR 25 Ca 0.25 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.61 1mg2 s THR 25 Cb 0.25 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1mg2 s THR 25 CO -0.04 0.00 1.57 -0.33 -0.54 0.00 0.00 174.62 175.27 1mg2 h GLU 26 N -2.33 0.62 -0.10 3.99 4.39 -1.99 -2.01 114.58 117.15 1mg2 h GLU 26 Ca -0.47 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.07 1mg2 h GLU 26 Cb 1.30 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1mg2 h GLU 26 CO 0.40 0.72 -0.04 0.00 -1.16 0.00 0.00 179.01 178.93 1mg2 h ALA 27 N 0.88 0.05 -0.61 3.43 0.00 -1.99 -0.14 119.26 120.88 1mg2 h ALA 27 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mg2 h ALA 27 Cb 0.43 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1mg2 h ALA 27 CO 0.02 -0.50 0.40 0.28 0.00 0.00 0.00 179.25 179.44 1mg2 h VAL 28 N -0.03 1.16 -0.38 0.00 2.07 -1.90 0.13 116.25 117.31 1mg2 h VAL 28 Ca 0.06 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1mg2 h VAL 28 Cb 0.11 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1mg2 h VAL 28 CO -0.12 0.16 0.15 0.11 0.02 0.00 0.00 177.57 177.88 1mg2 h LYS 29 N 0.83 0.58 -0.13 1.57 1.57 -1.11 -0.96 116.57 118.92 1mg2 h LYS 29 Ca 0.22 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1mg2 h LYS 29 Cb -0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1mg2 h LYS 29 CO -0.05 0.55 0.05 1.25 -0.57 0.00 0.00 179.45 180.69 1mg2 h HIS 30 N 0.47 0.21 -0.03 -1.35 2.76 -0.75 -2.61 115.15 113.86 1mg2 h HIS 30 Ca 0.13 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1mg2 h HIS 30 Cb 0.20 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 1mg2 h HIS 30 CO 0.00 0.30 -0.15 0.35 -1.30 0.00 0.00 177.93 177.13 1mg2 h PHE 31 N 0.05 -0.39 0.00 5.26 3.57 -0.61 0.29 116.94 125.12 1mg2 h PHE 31 Ca 0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1mg2 h PHE 31 Cb 0.19 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1mg2 h PHE 31 CO -0.01 -0.22 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.75 1mg2 h LEU 32 N -0.24 0.00 0.00 0.59 3.38 -1.14 0.81 115.31 118.71 1mg2 h LEU 32 Ca 0.06 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.70 1mg2 h LEU 32 Cb 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1mg2 h LEU 32 CO -0.17 0.03 -2.23 1.21 0.09 0.00 0.00 178.44 177.37 1mg2 n GLU 33 N -3.47 0.68 -0.02 1.13 2.13 -0.78 -3.60 120.64 116.71 1mg2 n GLU 33 Ca -0.02 0.03 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1mg2 n GLU 33 Cb 0.13 -1.57 -0.05 0.00 0.27 0.00 0.00 31.44 30.23 1mg2 n GLU 33 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1mg2 n THR 34 N -2.76 0.26 -0.42 6.31 -2.24 0.96 -2.32 114.28 114.08 1mg2 n THR 34 Ca -0.28 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1mg2 n THR 34 Cb 1.09 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1mg2 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mg2 n GLY 35 N 2.46 0.73 3.77 3.38 0.00 0.28 -4.84 105.19 110.96 1mg2 n GLY 35 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1mg2 n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mg2 s GLU 36 N -0.58 2.96 -0.45 1.61 -1.05 -1.26 -4.14 118.70 115.79 1mg2 s GLU 36 Ca 0.00 -0.59 -0.13 0.00 -0.15 0.00 0.00 54.97 54.10 1mg2 s GLU 36 Cb 0.00 -2.78 0.08 0.00 -0.44 0.00 0.00 34.13 30.98 1mg2 s GLU 36 CO 0.00 0.61 0.35 1.21 0.95 0.00 0.00 175.26 178.38 1mg2 s ASN 37 N -1.99 5.96 0.00 0.83 2.47 -1.26 -3.62 114.94 117.32 1mg2 s ASN 37 Ca 0.25 -1.40 0.11 0.00 0.42 0.00 0.00 52.86 52.25 1mg2 s ASN 37 Cb -0.12 -2.11 0.62 0.00 -1.45 0.00 0.00 41.25 38.19 1mg2 s ASN 37 CO 0.17 -0.61 1.19 1.33 -3.72 0.00 0.00 177.10 175.46 1mg2 n VAL 38 N 5.10 0.36 0.65 -5.21 0.24 -1.26 -2.60 118.33 115.61 1mg2 n VAL 38 Ca -0.12 0.09 0.12 0.00 -2.04 0.00 0.00 64.34 62.39 1mg2 n VAL 38 Cb 0.43 -0.91 0.17 0.00 -1.47 0.00 0.00 33.84 32.07 1mg2 n VAL 38 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1mg2 n TYR 39 N -1.14 0.41 -1.68 6.34 4.01 -1.26 -4.73 117.16 119.11 1mg2 n TYR 39 Ca 0.07 0.12 -0.46 0.00 -0.16 0.00 0.00 57.90 57.47 1mg2 n TYR 39 Cb 0.06 -0.55 -0.04 0.00 -0.31 0.00 0.00 39.34 38.50 1mg2 n TYR 39 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1mg2 n ASN 40 N -1.97 3.40 -1.75 7.72 3.02 -1.07 -1.00 115.26 123.61 1mg2 n ASN 40 Ca 0.04 1.03 -0.21 0.00 -0.03 0.00 0.00 54.58 55.40 1mg2 n ASN 40 Cb 0.42 -1.43 -0.07 0.00 -0.61 0.00 0.00 39.78 38.09 1mg2 n ASN 40 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mg2 n GLU 41 N 4.97 -1.50 -2.79 3.52 -0.58 -1.26 -4.93 120.64 118.07 1mg2 n GLU 41 Ca 0.19 1.18 -0.43 0.00 -0.42 0.00 0.00 57.16 57.69 1mg2 n GLU 41 Cb 0.31 -5.62 -0.04 0.00 -0.57 0.00 0.00 31.44 25.52 1mg2 n GLU 41 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1mg2 s ASP 42 N -2.62 6.32 0.55 1.62 3.68 -0.17 -4.91 116.67 121.14 1mg2 s ASP 42 Ca 0.00 -0.38 0.25 0.00 2.13 0.00 0.00 52.55 54.55 1mg2 s ASP 42 Cb 0.00 -2.46 1.46 0.00 -1.45 0.00 0.00 42.92 40.47 1mg2 s ASP 42 CO 0.00 -1.32 2.05 -0.65 0.13 0.00 0.00 175.17 175.37 1mg2 h PRO 43 N 9.42 0.00 0.00 4.34 0.11 -1.91 0.10 132.00 144.05 1mg2 h PRO 43 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1mg2 h PRO 43 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1mg2 h PRO 43 CO 1.12 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.84 1mg2 h GLU 44 N 0.00 0.00 0.00 1.05 4.39 -1.96 -3.35 114.58 114.71 1mg2 h GLU 44 Ca 0.16 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 1mg2 h GLU 44 Cb 0.69 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1mg2 h GLU 44 CO -0.00 0.00 -1.37 -0.89 -1.16 0.00 0.00 179.01 175.58 1mg2 n ILE 45 N -2.60 0.38 -0.19 3.13 -0.00 0.15 -4.80 119.36 115.43 1mg2 n ILE 45 Ca 0.02 -0.14 0.11 0.00 -0.00 0.00 0.00 62.75 62.73 1mg2 n ILE 45 Cb 0.27 -0.80 0.21 0.00 -0.00 0.00 0.00 39.64 39.32 1mg2 n ILE 45 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1mg2 n LEU 46 N -2.74 0.00 0.28 1.39 4.77 -0.07 -0.76 117.00 119.87 1mg2 n LEU 46 Ca -0.12 0.96 -0.16 0.00 -0.03 0.00 0.00 56.01 56.66 1mg2 n LEU 46 Cb 0.62 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1mg2 n LEU 46 CO 0.06 -1.00 0.66 -0.65 -1.33 0.00 0.00 177.39 175.13 1mg2 h PRO 47 N 0.00 -0.72 -0.79 3.23 0.11 -1.87 0.29 132.00 132.26 1mg2 h PRO 47 Ca 0.38 0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.54 1mg2 h PRO 47 Cb 0.86 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1mg2 h PRO 47 CO -0.51 -0.48 0.49 1.49 -0.21 0.00 0.00 178.00 178.78 1mg2 h GLU 48 N -0.75 1.06 -0.52 1.05 4.81 -1.28 -2.53 114.58 116.43 1mg2 h GLU 48 Ca -0.05 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1mg2 h GLU 48 Cb 0.62 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1mg2 h GLU 48 CO 0.04 0.73 0.30 0.00 -0.73 0.00 0.00 179.01 179.35 1mg2 h ALA 49 N 1.45 0.66 -0.72 2.92 0.00 -0.98 -1.46 119.26 121.14 1mg2 h ALA 49 Ca 0.28 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1mg2 h ALA 49 Cb -0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1mg2 h ALA 49 CO -0.06 0.17 0.45 1.49 0.00 0.00 0.00 179.25 181.30 1mg2 h GLU 50 N 0.69 0.86 0.47 0.00 4.81 -0.52 -1.13 114.58 119.75 1mg2 h GLU 50 Ca 0.18 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1mg2 h GLU 50 Cb 0.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1mg2 h GLU 50 CO -0.03 0.57 -0.31 0.93 -0.73 0.00 0.00 179.01 179.44 1mg2 h GLU 51 N 0.88 -0.72 -0.68 1.92 5.08 -1.19 -0.62 114.58 119.27 1mg2 h GLU 51 Ca 0.29 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.84 1mg2 h GLU 51 Cb 0.02 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 29.31 1mg2 h GLU 51 CO -0.11 -0.48 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.25 1mg2 h LEU 52 N -0.74 -0.51 0.73 1.33 4.07 -0.89 0.34 115.31 119.64 1mg2 h LEU 52 Ca -0.05 0.19 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 1mg2 h LEU 52 Cb 0.62 0.38 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1mg2 h LEU 52 CO 0.04 -0.20 -0.49 0.22 -1.08 0.00 0.00 178.44 176.93 1mg2 h TYR 53 N 0.04 -1.33 -0.84 1.13 3.20 -0.84 -0.13 116.97 118.19 1mg2 h TYR 53 Ca 0.34 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.41 1mg2 h TYR 53 Cb 0.55 0.48 -0.14 0.00 1.54 0.00 0.00 36.73 39.16 1mg2 h TYR 53 CO -0.49 -0.72 0.20 0.00 -1.64 0.00 0.00 178.16 175.51 1mg2 h ALA 54 N -1.13 1.16 0.00 1.82 0.00 -0.14 0.67 119.26 121.64 1mg2 h ALA 54 Ca -0.10 0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1mg2 h ALA 54 Cb 0.95 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1mg2 h ALA 54 CO 0.07 -0.43 -0.72 0.78 0.00 0.00 0.00 179.25 178.95 1mg2 h GLY 55 N 0.21 0.00 0.00 0.00 0.00 -0.75 -3.33 103.07 99.19 1mg2 h GLY 55 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1mg2 h GLY 55 CO -0.63 0.00 -0.71 1.03 0.00 0.00 0.00 176.54 176.23 1mg2 n MET 56 N -3.32 2.78 0.00 4.80 2.81 -0.08 -4.88 117.12 119.23 1mg2 n MET 56 Ca 0.01 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1mg2 n MET 56 Cb 0.81 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.25 1mg2 n MET 56 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mg2 h SER 58 N 0.00 0.55 -0.95 0.00 4.64 -1.59 0.92 113.55 117.11 1mg2 h SER 58 Ca 0.00 0.06 0.12 0.00 -0.47 0.00 0.00 61.79 61.50 1mg2 h SER 58 Cb 0.18 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.15 1mg2 h SER 58 CO 0.00 0.21 0.58 1.23 -0.87 0.00 0.00 176.83 177.98 1mg2 h GLY 59 N 0.54 1.55 0.18 -0.77 0.00 -1.84 0.53 103.07 103.25 1mg2 h GLY 59 Ca 0.51 -0.39 -0.36 0.00 0.00 0.00 0.00 47.33 47.09 1mg2 h GLY 59 CO -0.25 0.14 -2.29 0.00 0.00 0.00 0.00 176.54 174.15 1mg2 n HIS 61 N -2.97 0.00 0.00 0.00 -0.00 0.24 0.31 115.22 112.81 1mg2 n HIS 61 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.38 1mg2 n HIS 61 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.08 1mg2 n HIS 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mg2 n GLY 62 N 1.49 2.42 0.33 -1.41 0.00 0.18 -0.56 105.19 107.66 1mg2 n GLY 62 Ca 0.04 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.25 1mg2 n GLY 62 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1mg2 h HIS 63 N 0.00 0.54 -0.27 1.61 -0.00 -1.94 -2.83 115.15 112.25 1mg2 h HIS 63 Ca 0.00 0.01 -0.22 0.00 -0.00 0.00 0.00 60.37 60.16 1mg2 h HIS 63 Cb 0.00 -0.18 -0.24 0.00 -0.00 0.00 0.00 27.41 26.99 1mg2 h HIS 63 CO 0.00 0.30 -0.76 0.66 -0.00 0.00 0.00 177.93 178.12 1mg2 n TYR 64 N -4.47 0.97 -2.27 5.26 4.01 -1.26 -4.95 117.16 114.45 1mg2 n TYR 64 Ca 0.07 -1.62 -0.13 0.00 -0.16 0.00 0.00 57.90 56.07 1mg2 n TYR 64 Cb 0.21 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 38.97 1mg2 n TYR 64 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1mg2 n ALA 65 N -0.65 -0.68 0.56 -0.72 0.00 -1.07 -4.73 120.51 113.22 1mg2 n ALA 65 Ca 0.23 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.91 1mg2 n ALA 65 Cb 0.87 -1.51 0.45 0.00 0.00 0.00 0.00 19.45 19.25 1mg2 n ALA 65 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mg2 n GLU 66 N -2.66 0.20 0.00 0.00 0.00 -1.20 -0.32 120.64 116.66 1mg2 n GLU 66 Ca -0.15 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.29 1mg2 n GLU 66 Cb 0.58 -1.79 0.00 0.00 0.00 0.00 0.00 31.44 30.23 1mg2 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mg2 n GLY 67 N 0.76 2.51 0.00 -1.84 0.00 0.28 -4.25 105.19 102.65 1mg2 n GLY 67 Ca 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1mg2 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mg2 n LYS 68 N 1.37 0.00 0.12 1.61 4.81 -1.24 -4.61 118.16 120.22 1mg2 n LYS 68 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1mg2 n LYS 68 Cb 0.00 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.14 1mg2 n LYS 68 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1mg2 h ILE 69 N 0.00 1.31 -1.88 3.15 2.04 -1.39 -3.44 117.51 117.31 1mg2 h ILE 69 Ca 0.00 -2.42 -0.51 0.00 1.00 0.00 0.00 64.86 62.93 1mg2 h ILE 69 Cb 0.00 2.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1mg2 h ILE 69 CO 0.00 0.65 -0.48 -0.83 0.00 0.00 0.00 178.15 177.49 1mg2 s GLY 70 N -4.52 1.82 0.72 5.37 0.00 0.15 -5.02 107.32 105.84 1mg2 s GLY 70 Ca 0.01 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 42.89 1mg2 s GLY 70 CO 0.76 -1.63 1.11 2.56 0.00 0.00 0.00 173.10 175.89 1mg2 s PRO 71 N -3.93 2.50 0.61 2.90 0.04 -1.26 -4.56 135.00 131.28 1mg2 s PRO 71 Ca 0.39 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 1mg2 s PRO 71 Cb -0.05 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1mg2 s PRO 71 CO 0.25 -1.48 1.21 0.20 0.04 0.00 0.00 177.00 177.22 1mg2 s GLY 72 N -2.88 2.71 -0.00 0.56 0.00 -1.26 -4.46 107.32 101.98 1mg2 s GLY 72 Ca 0.65 1.00 0.00 0.00 0.00 0.00 0.00 44.72 46.37 1mg2 s GLY 72 CO 0.48 1.39 0.86 1.04 0.00 0.00 0.00 173.10 176.87 1mg2 n LEU 73 N -1.70 1.44 -1.44 0.66 4.32 0.56 -4.82 117.00 116.02 1mg2 n LEU 73 Ca 0.14 -1.46 0.02 0.00 -0.02 0.00 0.00 56.01 54.68 1mg2 n LEU 73 Cb 0.50 -0.01 0.29 0.00 -1.62 0.00 0.00 43.42 42.57 1mg2 n LEU 73 CO 0.45 0.36 0.84 -0.46 -1.22 0.00 0.00 177.39 177.37 1mg2 n ASN 74 N -0.38 4.26 -2.39 -1.43 6.94 -1.07 -4.81 115.26 116.39 1mg2 n ASN 74 Ca 0.00 -3.19 -0.12 0.00 -0.02 0.00 0.00 54.58 51.26 1mg2 n ASN 74 Cb 0.33 -0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 37.06 1mg2 n ASN 74 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1mg2 n ASP 75 N -0.33 -0.51 0.28 0.53 3.85 -1.26 -1.47 116.55 117.64 1mg2 n ASP 75 Ca 0.31 -2.36 0.17 0.00 -0.71 0.00 0.00 54.79 52.20 1mg2 n ASP 75 Cb 1.13 1.13 0.76 0.00 -1.35 0.00 0.00 41.12 42.79 1mg2 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1mg2 h ALA 76 N 1.69 1.05 -2.62 2.12 0.00 -1.99 -3.44 119.26 116.07 1mg2 h ALA 76 Ca -0.15 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.17 1mg2 h ALA 76 Cb 0.75 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1mg2 h ALA 76 CO 0.22 0.06 0.04 -0.47 0.00 0.00 0.00 179.25 179.10 1mg2 s TYR 77 N -3.83 3.73 -0.02 0.00 5.04 -1.26 -5.02 117.35 115.99 1mg2 s TYR 77 Ca -0.01 1.33 -0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1mg2 s TYR 77 Cb 0.10 -2.56 0.03 0.00 0.35 0.00 0.00 41.96 39.88 1mg2 s TYR 77 CO 0.54 0.46 0.03 -1.58 -1.34 0.00 0.00 175.55 173.65 1mg2 s TRP 78 N -1.33 0.02 0.30 4.97 0.52 -1.26 -4.95 118.94 117.22 1mg2 s TRP 78 Ca 0.37 0.12 -0.00 0.00 0.02 0.00 0.00 56.10 56.60 1mg2 s TRP 78 Cb -0.18 -0.20 0.49 0.00 -1.15 0.00 0.00 33.47 32.43 1mg2 s TRP 78 CO 0.21 -0.08 1.94 1.15 0.02 0.00 0.00 176.95 180.19 1mg2 h THR 79 N 6.12 1.14 -3.48 2.01 2.02 -1.97 -3.25 112.91 115.49 1mg2 h THR 79 Ca -0.43 -0.37 -0.70 0.00 0.77 0.00 0.00 66.41 65.69 1mg2 h THR 79 Cb 1.13 -0.02 -0.34 0.00 -1.74 0.00 0.00 68.15 67.18 1mg2 h THR 79 CO 0.48 0.19 -0.47 -0.31 0.37 0.00 0.00 175.52 175.79 1mg2 s TYR 80 N -5.91 3.52 0.39 3.16 2.02 -1.26 -4.99 117.35 114.28 1mg2 s TYR 80 Ca -0.11 -2.43 0.24 0.00 -0.37 0.00 0.00 57.07 54.40 1mg2 s TYR 80 Cb 0.19 -3.26 1.34 0.00 -0.40 0.00 0.00 41.96 39.82 1mg2 s TYR 80 CO 0.80 -0.94 1.61 -1.00 -1.57 0.00 0.00 175.55 174.45 1mg2 h PRO 81 N 7.81 0.09 0.00 -1.71 0.13 -1.99 0.41 132.00 136.73 1mg2 h PRO 81 Ca -0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1mg2 h PRO 81 Cb 1.02 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1mg2 h PRO 81 CO 0.73 0.06 0.00 0.78 -0.23 0.00 0.00 178.00 179.33 1mg2 h GLY 82 N 0.09 0.00 1.20 1.56 0.00 -1.94 -2.33 103.07 101.65 1mg2 h GLY 82 Ca 0.82 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.15 1mg2 h GLY 82 CO -0.60 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.64 1mg2 n ASN 83 N -2.51 0.00 0.21 0.19 3.02 0.13 -1.64 115.26 114.65 1mg2 n ASN 83 Ca -0.02 -0.29 0.14 0.00 -0.03 0.00 0.00 54.58 54.39 1mg2 n ASN 83 Cb 0.06 -0.10 0.49 0.00 -0.61 0.00 0.00 39.78 39.62 1mg2 n ASN 83 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1mg2 h GLU 84 N 0.00 0.00 -6.21 3.52 4.11 -1.65 -3.40 114.58 110.96 1mg2 h GLU 84 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1mg2 h GLU 84 Cb 0.05 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 1mg2 h GLU 84 CO 0.00 0.00 -0.58 0.95 0.07 0.00 0.00 179.01 179.45 1mg2 s THR 85 N -3.41 4.06 0.22 -1.06 -4.23 -0.65 -4.44 115.64 106.13 1mg2 s THR 85 Ca 0.04 -1.56 0.12 0.00 -1.18 0.00 0.00 61.69 59.11 1mg2 s THR 85 Cb 0.09 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 1mg2 s THR 85 CO 0.54 -0.33 1.60 0.44 -0.54 0.00 0.00 174.62 176.34 1mg2 h ASP 86 N 1.75 0.00 -0.52 3.99 3.32 -1.84 -1.12 116.42 122.00 1mg2 h ASP 86 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1mg2 h ASP 86 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1mg2 h ASP 86 CO 0.61 0.60 0.10 0.58 -1.72 0.00 0.00 179.24 179.40 1mg2 h VAL 87 N 0.00 1.24 -0.01 -1.35 2.07 -1.88 -1.11 116.25 115.22 1mg2 h VAL 87 Ca -0.01 -0.92 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 1mg2 h VAL 87 Cb 1.12 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1mg2 h VAL 87 CO 0.08 0.34 -0.53 1.23 0.02 0.00 0.00 177.57 178.71 1mg2 h GLY 88 N 1.00 0.41 0.59 2.17 0.00 -1.59 -2.56 103.07 103.10 1mg2 h GLY 88 Ca 0.18 -0.71 0.05 0.00 0.00 0.00 0.00 47.33 46.85 1mg2 h GLY 88 CO 0.01 0.63 0.05 -2.00 0.00 0.00 0.00 176.54 175.23 1mg2 h LEU 89 N -0.17 -0.01 -0.10 3.11 6.46 -1.14 -1.45 115.31 122.01 1mg2 h LEU 89 Ca -0.06 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1mg2 h LEU 89 Cb 1.24 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 41.22 1mg2 h LEU 89 CO 0.10 0.03 -0.12 0.15 -0.62 0.00 0.00 178.44 177.99 1mg2 h PHE 90 N 0.17 -0.30 -0.87 1.25 3.57 -1.27 -1.50 116.94 117.98 1mg2 h PHE 90 Ca 0.15 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.85 1mg2 h PHE 90 Cb 0.18 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1mg2 h PHE 90 CO -0.19 -0.18 0.57 0.77 -2.23 0.00 0.00 178.31 177.05 1mg2 h SER 91 N -0.16 0.47 -0.09 0.41 0.02 -0.96 0.13 113.55 113.37 1mg2 h SER 91 Ca 0.08 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1mg2 h SER 91 Cb 0.27 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1mg2 h SER 91 CO -0.19 0.21 -0.05 0.74 -1.14 0.00 0.00 176.83 176.40 1mg2 h THR 92 N 0.48 1.33 -0.23 -2.27 2.02 -0.28 -1.58 112.91 112.38 1mg2 h THR 92 Ca 0.45 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1mg2 h THR 92 Cb 0.99 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 1mg2 h THR 92 CO -0.18 0.31 0.06 -0.07 0.37 0.00 0.00 175.52 176.01 1mg2 h LEU 93 N -0.19 0.35 0.41 2.58 4.07 -0.64 0.39 115.31 122.27 1mg2 h LEU 93 Ca 0.02 -0.22 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 1mg2 h LEU 93 Cb 0.51 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1mg2 h LEU 93 CO 0.01 0.48 -0.20 0.22 -1.08 0.00 0.00 178.44 177.88 1mg2 h TYR 94 N 0.20 -0.51 -0.01 1.13 3.20 -0.84 0.20 116.97 120.35 1mg2 h TYR 94 Ca 0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1mg2 h TYR 94 Cb 0.26 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1mg2 h TYR 94 CO 0.01 -0.22 -0.38 0.41 -1.64 0.00 0.00 178.16 176.34 1mg2 n GLY 95 N -0.79 -0.70 0.23 1.82 0.00 -0.60 -2.69 105.19 102.46 1mg2 n GLY 95 Ca -0.11 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.51 1mg2 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mg2 n GLY 96 N 1.40 -1.75 0.00 -0.02 0.00 0.14 -4.00 105.19 100.95 1mg2 n GLY 96 Ca 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1mg2 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg2 n ALA 97 N -1.99 0.00 -2.60 4.61 0.00 0.17 -4.56 120.51 116.13 1mg2 n ALA 97 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1mg2 n ALA 97 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 1mg2 n ALA 97 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mg2 s THR 98 N 3.56 1.53 0.00 0.00 -4.23 -1.25 -4.82 115.64 110.43 1mg2 s THR 98 Ca 0.00 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1mg2 s THR 98 Cb 0.00 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1mg2 s THR 98 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1mg2 n GLY 99 N -1.37 2.94 0.00 3.99 0.00 -1.26 -1.95 105.19 107.54 1mg2 n GLY 99 Ca -0.11 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.76 1mg2 n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mg2 n GLN 100 N 14.00 0.73 -2.95 1.61 6.02 -1.26 -4.31 117.38 131.22 1mg2 n GLN 100 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.55 1mg2 n GLN 100 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 1mg2 n GLN 100 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1mg2 n MET 101 N -1.01 3.59 -2.38 -1.09 1.56 -0.82 -5.02 117.12 111.95 1mg2 n MET 101 Ca 0.18 -4.04 -0.26 0.00 -0.27 0.00 0.00 57.70 53.31 1mg2 n MET 101 Cb 0.09 -2.83 0.14 0.00 2.15 0.00 0.00 33.22 32.77 1mg2 n MET 101 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1mg2 s GLY 102 N 1.53 1.77 0.52 -5.12 0.00 -1.26 0.44 107.32 105.19 1mg2 s GLY 102 Ca 0.38 -1.61 -0.23 0.00 0.00 0.00 0.00 44.72 43.26 1mg2 s GLY 102 CO -0.01 -0.95 1.39 -1.05 0.00 0.00 0.00 173.10 172.47 1mg2 n PRO 103 N -3.17 1.85 -0.03 2.90 -0.02 -1.26 -4.06 135.00 131.22 1mg2 n PRO 103 Ca 0.16 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.39 1mg2 n PRO 103 Cb 0.60 -2.60 0.08 0.00 -0.02 0.00 0.00 33.50 31.57 1mg2 n PRO 103 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1mg2 n MET 104 N -0.81 1.43 0.33 -0.52 2.81 0.72 -4.57 117.12 116.50 1mg2 n MET 104 Ca 0.09 -1.56 0.21 0.00 -1.81 0.00 0.00 57.70 54.63 1mg2 n MET 104 Cb 0.44 -1.32 1.11 0.00 -0.71 0.00 0.00 33.22 32.73 1mg2 n MET 104 CO 0.00 0.00 0.00 0.11 1.51 0.00 0.00 175.97 177.59 1mg2 h TRP 105 N 3.19 0.00 0.00 2.03 5.08 -1.76 -1.10 115.95 123.39 1mg2 h TRP 105 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1mg2 h TRP 105 Cb 0.70 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.86 1mg2 h TRP 105 CO 0.03 0.00 -0.37 0.41 -1.28 0.00 0.00 178.44 177.24 1mg2 n GLY 106 N -1.15 -1.44 0.00 11.11 0.00 -1.26 -4.10 105.19 108.35 1mg2 n GLY 106 Ca -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.80 1mg2 n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mg2 n SER 107 N -1.86 1.95 -4.02 1.61 7.64 -0.56 -5.05 113.62 113.34 1mg2 n SER 107 Ca 0.05 -0.32 -0.14 0.00 1.01 0.00 0.00 58.87 59.47 1mg2 n SER 107 Cb 0.39 1.05 -0.13 0.00 -1.01 0.00 0.00 64.21 64.51 1mg2 n SER 107 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1mg2 s LEU 108 N -2.57 2.14 0.53 -3.43 1.43 -0.53 -5.10 118.68 111.16 1mg2 s LEU 108 Ca 0.00 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.63 1mg2 s LEU 108 Cb 0.02 -0.22 -0.06 0.00 0.03 0.00 0.00 46.19 45.96 1mg2 s LEU 108 CO 0.10 -0.08 0.95 0.42 0.23 0.00 0.00 176.35 177.97 1mg2 s THR 109 N -0.81 4.67 0.43 5.49 -4.23 -1.26 -4.57 115.64 115.36 1mg2 s THR 109 Ca -0.04 0.91 0.20 0.00 -1.18 0.00 0.00 61.69 61.58 1mg2 s THR 109 Cb -0.06 -3.79 0.41 0.00 1.34 0.00 0.00 72.50 70.39 1mg2 s THR 109 CO 0.00 -0.84 1.82 -0.07 -0.54 0.00 0.00 174.62 174.99 1mg2 h LEU 110 N 0.48 0.37 -0.04 4.79 4.07 -1.77 0.59 115.31 123.79 1mg2 h LEU 110 Ca -0.46 0.05 -0.23 0.00 0.08 0.00 0.00 57.88 57.32 1mg2 h LEU 110 Cb 1.19 -0.01 0.02 0.00 1.08 0.00 0.00 40.66 42.94 1mg2 h LEU 110 CO 0.62 0.11 -0.88 -0.78 -1.08 0.00 0.00 178.44 176.43 1mg2 h ASP 111 N 0.35 0.84 -0.47 -0.43 3.58 -1.54 -3.14 116.42 115.62 1mg2 h ASP 111 Ca 0.53 -0.71 -0.06 0.00 0.42 0.00 0.00 57.03 57.21 1mg2 h ASP 111 Cb 1.44 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1mg2 h ASP 111 CO -0.20 1.44 0.09 -0.33 -2.88 0.00 0.00 179.24 177.36 1mg2 h GLU 112 N 0.33 0.83 -0.24 0.28 5.08 -1.22 -2.22 114.58 117.42 1mg2 h GLU 112 Ca -0.10 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1mg2 h GLU 112 Cb 1.54 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1mg2 h GLU 112 CO 0.18 0.78 0.14 0.52 -1.00 0.00 0.00 179.01 179.62 1mg2 h MET 113 N 0.80 0.28 -0.65 2.33 2.86 -1.19 -0.94 114.93 118.42 1mg2 h MET 113 Ca 0.17 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1mg2 h MET 113 Cb 0.35 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1mg2 h MET 113 CO 0.01 0.19 0.43 -0.07 1.06 0.00 0.00 176.91 178.52 1mg2 h LEU 114 N 0.29 0.70 -0.28 1.22 3.38 -1.42 0.64 115.31 119.85 1mg2 h LEU 114 Ca 0.09 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1mg2 h LEU 114 Cb -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1mg2 h LEU 114 CO -0.04 0.49 -0.54 0.03 0.09 0.00 0.00 178.44 178.46 1mg2 h ARG 115 N 0.82 0.85 -0.54 1.13 3.08 -0.92 -2.39 114.38 116.41 1mg2 h ARG 115 Ca 0.25 -0.55 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 1mg2 h ARG 115 Cb 0.01 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1mg2 h ARG 115 CO -0.07 1.18 0.17 1.15 -1.07 0.00 0.00 179.97 181.33 1mg2 h THR 116 N 0.63 1.24 -0.80 2.04 2.02 -0.58 -2.26 112.91 115.19 1mg2 h THR 116 Ca 0.01 -0.80 0.08 0.00 0.77 0.00 0.00 66.41 66.47 1mg2 h THR 116 Cb 1.15 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1mg2 h THR 116 CO 0.12 0.30 0.52 0.24 0.37 0.00 0.00 175.52 177.07 1mg2 h MET 117 N 0.75 0.80 -0.66 6.66 2.86 -0.80 -1.12 114.93 123.42 1mg2 h MET 117 Ca 0.17 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1mg2 h MET 117 Cb 0.28 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1mg2 h MET 117 CO -0.00 0.53 0.20 0.00 1.06 0.00 0.00 176.91 178.70 1mg2 h ALA 118 N 1.58 1.12 -0.32 6.32 0.00 -0.88 -1.19 119.26 125.89 1mg2 h ALA 118 Ca 0.35 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1mg2 h ALA 118 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1mg2 h ALA 118 CO -0.13 0.61 -0.34 2.35 0.00 0.00 0.00 179.25 181.74 1mg2 h TRP 119 N 0.97 0.82 -0.35 0.00 2.91 -0.99 0.93 115.95 120.24 1mg2 h TRP 119 Ca 0.22 -0.22 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1mg2 h TRP 119 Cb 0.28 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.73 1mg2 h TRP 119 CO 0.02 0.94 0.23 0.28 -1.03 0.00 0.00 178.44 178.88 1mg2 h VAL 120 N 0.59 1.10 -0.58 2.65 2.07 -0.88 -0.51 116.25 120.68 1mg2 h VAL 120 Ca 0.06 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1mg2 h VAL 120 Cb 0.85 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1mg2 h VAL 120 CO 0.07 0.09 0.17 0.03 0.02 0.00 0.00 177.57 177.96 1mg2 h ARG 121 N 0.48 0.88 0.00 1.57 2.47 -0.97 -2.05 114.38 116.76 1mg2 h ARG 121 Ca 0.13 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 1mg2 h ARG 121 Cb -0.04 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.14 1mg2 h ARG 121 CO -0.03 0.77 -0.15 1.25 0.56 0.00 0.00 179.97 182.37 1mg2 h HIS 122 N 0.85 0.00 -0.00 3.04 2.76 0.10 -1.84 115.15 120.06 1mg2 h HIS 122 Ca 0.19 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1mg2 h HIS 122 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1mg2 h HIS 122 CO 0.02 0.15 -0.06 1.28 -1.30 0.00 0.00 177.93 178.01 1mg2 n LEU 123 N -3.69 0.52 -4.68 0.26 4.77 -0.29 -4.47 117.00 109.42 1mg2 n LEU 123 Ca -0.02 -0.07 -0.46 0.00 -0.03 0.00 0.00 56.01 55.44 1mg2 n LEU 123 Cb 0.27 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1mg2 n LEU 123 CO 0.31 0.09 1.22 0.00 -1.33 0.00 0.00 177.39 177.69 1mg2 n TYR 124 N -0.78 2.34 -0.44 -1.77 9.36 -0.69 -4.65 117.16 120.52 1mg2 n TYR 124 Ca 0.17 0.23 0.10 0.00 3.32 0.00 0.00 57.90 61.73 1mg2 n TYR 124 Cb 0.25 -2.56 0.34 0.00 -0.63 0.00 0.00 39.34 36.73 1mg2 n TYR 124 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1mg2 n THR 125 N 3.52 1.49 -2.62 2.97 -2.24 -0.54 -1.78 114.28 115.09 1mg2 n THR 125 Ca 0.17 -1.07 -0.07 0.00 -2.27 0.00 0.00 64.05 60.80 1mg2 n THR 125 Cb 0.30 0.23 0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1mg2 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mg2 n GLY 126 N 1.30 1.20 3.73 3.38 0.00 -1.26 -4.71 105.19 108.83 1mg2 n GLY 126 Ca 0.25 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 1mg2 n GLY 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mg2 s ASP 127 N -2.29 7.19 0.55 1.61 3.68 -1.26 -4.28 116.67 121.87 1mg2 s ASP 127 Ca 0.21 2.10 0.33 0.00 2.13 0.00 0.00 52.55 57.32 1mg2 s ASP 127 Cb -0.01 -2.60 1.49 0.00 -1.45 0.00 0.00 42.92 40.34 1mg2 s ASP 127 CO 0.14 -0.30 1.82 -0.65 0.13 0.00 0.00 175.17 176.30 1mg2 h PRO 128 N 5.51 0.00 0.00 4.34 0.11 -1.92 0.92 132.00 140.97 1mg2 h PRO 128 Ca -0.44 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1mg2 h PRO 128 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1mg2 h PRO 128 CO 0.75 0.00 -0.23 0.87 -0.21 0.00 0.00 178.00 179.17 1mg2 h LYS 129 N 0.00 0.00 0.00 1.05 1.57 -1.93 -2.74 116.57 114.52 1mg2 h LYS 129 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1mg2 h LYS 129 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1mg2 h LYS 129 CO -0.00 0.23 -0.50 -0.25 -0.57 0.00 0.00 179.45 178.36 1mg2 n ASP 130 N -3.75 0.53 -3.35 0.86 8.00 0.32 -4.54 116.55 114.63 1mg2 n ASP 130 Ca -0.01 -0.03 -0.30 0.00 0.71 0.00 0.00 54.79 55.15 1mg2 n ASP 130 Cb 0.34 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1mg2 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg2 n ALA 131 N -1.63 4.17 0.07 2.24 0.00 -1.03 -4.67 120.51 119.65 1mg2 n ALA 131 Ca 0.05 -2.50 0.03 0.00 0.00 0.00 0.00 53.44 51.01 1mg2 n ALA 131 Cb 0.38 -3.24 0.15 0.00 0.00 0.00 0.00 19.45 16.73 1mg2 n ALA 131 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mg2 n SER 132 N 5.47 0.14 -0.27 0.00 3.41 -1.26 0.44 113.62 121.56 1mg2 n SER 132 Ca 0.46 0.41 0.12 0.00 -0.26 0.00 0.00 58.87 59.60 1mg2 n SER 132 Cb 0.24 -0.38 0.22 0.00 -0.26 0.00 0.00 64.21 64.02 1mg2 n SER 132 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1mg2 n TRP 133 N -1.61 0.00 -3.92 7.33 2.14 -1.26 -4.93 117.44 115.19 1mg2 n TRP 133 Ca -0.00 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.24 1mg2 n TRP 133 Cb 0.25 -0.10 -0.05 0.00 -0.81 0.00 0.00 31.31 30.61 1mg2 n TRP 133 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1mg2 s LEU 134 N -2.59 4.34 0.66 5.67 1.02 0.17 -4.91 118.68 123.03 1mg2 s LEU 134 Ca 0.20 0.32 -0.11 0.00 0.02 0.00 0.00 54.13 54.57 1mg2 s LEU 134 Cb 0.18 -2.62 -0.01 0.00 0.02 0.00 0.00 46.19 43.76 1mg2 s LEU 134 CO 0.58 0.25 1.05 0.42 0.02 0.00 0.00 176.35 178.67 1mg2 s THR 135 N -1.33 4.01 0.18 5.49 -4.23 -1.26 -4.76 115.64 113.73 1mg2 s THR 135 Ca 0.28 0.59 -0.15 0.00 -1.18 0.00 0.00 61.69 61.24 1mg2 s THR 135 Cb -0.13 -3.64 0.09 0.00 1.34 0.00 0.00 72.50 70.17 1mg2 s THR 135 CO 0.19 -0.83 1.70 0.44 -0.54 0.00 0.00 174.62 175.59 1mg2 h ASP 136 N -0.47 -0.12 -0.29 3.99 3.45 -1.98 0.46 116.42 121.47 1mg2 h ASP 136 Ca -0.45 0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.09 1mg2 h ASP 136 Cb 1.23 0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 40.14 1mg2 h ASP 136 CO 0.63 -0.03 0.12 -0.33 -1.57 0.00 0.00 179.24 178.06 1mg2 h GLU 137 N 0.15 0.49 -0.11 3.56 3.07 -2.00 -1.00 114.58 118.74 1mg2 h GLU 137 Ca 0.22 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.86 1mg2 h GLU 137 Cb 0.31 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1mg2 h GLU 137 CO -0.34 0.42 -0.56 1.96 -1.40 0.00 0.00 179.01 179.09 1mg2 h GLN 138 N 0.49 0.57 -0.99 2.33 4.20 -1.44 -3.12 115.11 117.14 1mg2 h GLN 138 Ca 0.12 -0.47 0.04 0.00 0.06 0.00 0.00 58.65 58.40 1mg2 h GLN 138 Cb 0.13 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 1mg2 h GLN 138 CO -0.01 1.09 0.65 0.87 -0.67 0.00 0.00 178.83 180.76 1mg2 h LYS 139 N 0.19 1.20 -0.81 1.46 1.57 0.22 -1.84 116.57 118.55 1mg2 h LYS 139 Ca -0.04 -0.07 0.20 0.00 -1.87 0.00 0.00 60.65 58.87 1mg2 h LYS 139 Cb 1.20 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 1mg2 h LYS 139 CO 0.12 0.80 0.56 0.00 -0.57 0.00 0.00 179.45 180.35 1mg2 h ALA 140 N 1.41 2.40 -0.17 3.86 0.00 -1.13 -1.82 119.26 123.82 1mg2 h ALA 140 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1mg2 h ALA 140 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1mg2 h ALA 140 CO -0.13 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 178.88 1mg2 n GLY 141 N -1.59 1.10 3.78 0.00 0.00 -0.84 -5.00 105.19 102.65 1mg2 n GLY 141 Ca 0.17 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1mg2 n GLY 141 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mg2 s PHE 142 N -0.96 3.78 -0.06 1.61 5.36 -0.69 -5.07 117.98 121.96 1mg2 s PHE 142 Ca 0.18 1.67 0.02 0.00 -0.96 0.00 0.00 56.93 57.84 1mg2 s PHE 142 Cb 0.10 -2.82 0.02 0.00 -0.34 0.00 0.00 43.02 39.98 1mg2 s PHE 142 CO 0.15 0.35 -0.10 -0.08 -1.46 0.00 0.00 175.22 174.08 1mg2 s THR 143 N -1.41 0.96 0.03 0.12 -1.32 -1.26 -4.84 115.64 107.91 1mg2 s THR 143 Ca 0.43 -0.36 -0.37 0.00 -1.21 0.00 0.00 61.69 60.18 1mg2 s THR 143 Cb -0.20 -0.91 -0.16 0.00 -1.51 0.00 0.00 72.50 69.71 1mg2 s THR 143 CO 0.25 0.32 1.41 -2.65 -2.21 0.00 0.00 174.62 171.74 1mg2 n PRO 144 N 3.98 1.17 -2.06 7.08 -0.02 -1.26 -4.85 135.00 139.03 1mg2 n PRO 144 Ca -0.22 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 1mg2 n PRO 144 Cb 0.51 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1mg2 n PRO 144 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1mg2 s PHE 145 N 0.96 2.74 -0.28 6.00 5.36 -0.73 -4.99 117.98 127.04 1mg2 s PHE 145 Ca 0.86 1.44 -0.18 0.00 -0.96 0.00 0.00 56.93 58.09 1mg2 s PHE 145 Cb -0.96 -3.61 0.11 0.00 -0.34 0.00 0.00 43.02 38.21 1mg2 s PHE 145 CO 0.49 -2.06 0.83 1.14 -1.46 0.00 0.00 175.22 174.17 1mg2 s GLN 146 N -2.48 0.59 0.00 10.12 -2.07 -1.26 -4.69 119.66 119.86 1mg2 s GLN 146 Ca 0.61 0.93 0.19 0.00 -1.82 0.00 0.00 55.36 55.27 1mg2 s GLN 146 Cb -0.36 0.17 1.15 0.00 -1.09 0.00 0.00 33.01 32.88 1mg2 s GLN 146 CO 0.45 -0.11 1.54 -0.35 -1.32 0.00 0.00 175.29 175.50