#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mh2 h THR 2 N 0.00 1.05 0.00 5.53 2.02 -1.79 0.33 112.91 120.05 1mh2 h THR 2 Ca 0.00 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1mh2 h THR 2 Cb 0.00 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1mh2 h THR 2 CO 0.00 0.14 -0.20 1.88 0.37 0.00 0.00 175.52 177.72 1mh2 h TYR 3 N 0.79 0.00 0.02 3.16 0.05 -1.98 0.88 116.97 119.89 1mh2 h TYR 3 Ca 0.29 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.00 1mh2 h TYR 3 Cb 0.08 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.83 1mh2 h TYR 3 CO -0.05 0.20 -0.25 1.96 -1.05 0.00 0.00 178.16 178.96 1mh2 h GLN 4 N 0.00 0.14 -0.96 4.88 4.20 -1.67 -1.81 115.11 119.89 1mh2 h GLN 4 Ca -0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1mh2 h GLN 4 Cb 0.37 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 1mh2 h GLN 4 CO 0.03 0.97 0.61 0.35 -0.67 0.00 0.00 178.83 180.12 1mh2 h PHE 5 N -0.61 1.24 -0.40 2.96 3.57 0.07 -0.45 116.94 123.31 1mh2 h PHE 5 Ca -0.04 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1mh2 h PHE 5 Cb 1.07 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1mh2 h PHE 5 CO 0.21 0.80 -0.11 0.37 -2.23 0.00 0.00 178.31 177.35 1mh2 h GLN 6 N 1.32 0.71 0.00 1.11 4.15 0.72 -2.28 115.11 120.83 1mh2 h GLN 6 Ca 0.35 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 1mh2 h GLN 6 Cb -0.11 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1mh2 h GLN 6 CO -0.07 0.80 -0.36 -0.97 -1.93 0.00 0.00 178.83 176.29 1mh2 h ASN 7 N 0.64 0.00 -0.28 -0.69 -0.73 -0.38 -2.60 115.58 111.54 1mh2 h ASN 7 Ca 0.11 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.21 1mh2 h ASN 7 Cb 0.56 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 1mh2 h ASN 7 CO 0.03 0.36 -0.11 0.24 -0.37 0.00 0.00 177.43 177.59 1mh2 h MET 8 N 0.00 0.57 -0.62 6.67 2.86 -0.58 -2.62 114.93 121.21 1mh2 h MET 8 Ca -0.00 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1mh2 h MET 8 Cb 0.85 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1mh2 h MET 8 CO 0.05 0.80 0.37 0.82 1.06 0.00 0.00 176.91 180.00 1mh2 h ILE 9 N 0.32 1.18 0.00 -1.22 2.04 -1.20 -1.34 117.51 117.29 1mh2 h ILE 9 Ca 0.07 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1mh2 h ILE 9 Cb 0.61 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1mh2 h ILE 9 CO 0.04 0.19 -0.30 1.56 0.00 0.00 0.00 178.15 179.63 1mh2 h GLN 10 N 0.86 0.00 -0.13 2.37 4.20 -1.30 -1.18 115.11 119.93 1mh2 h GLN 10 Ca 0.22 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 1mh2 h GLN 10 Cb -0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1mh2 h GLN 10 CO -0.04 0.30 -0.22 0.00 -0.67 0.00 0.00 178.83 178.20 1mh2 n THR 12 N -4.48 0.00 -3.04 0.00 -2.24 -1.03 -4.51 114.28 98.97 1mh2 n THR 12 Ca -0.07 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.37 1mh2 n THR 12 Cb 0.42 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 1mh2 n THR 12 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1mh2 n VAL 13 N -0.41 0.08 0.19 2.28 0.31 -0.45 -4.62 118.33 115.71 1mh2 n VAL 13 Ca 0.09 -4.01 0.12 0.00 -0.01 0.00 0.00 64.34 60.54 1mh2 n VAL 13 Cb 0.42 0.07 0.68 0.00 -0.91 0.00 0.00 33.84 34.10 1mh2 n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1mh2 h PRO 14 N 2.98 0.00 -0.02 5.55 0.11 -1.74 -1.58 132.00 137.29 1mh2 h PRO 14 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1mh2 h PRO 14 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1mh2 h PRO 14 CO 0.46 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.61 1mh2 n LYS 15 N -4.41 1.08 -3.73 1.05 2.85 -1.26 -4.78 118.16 108.96 1mh2 n LYS 15 Ca 0.01 -0.12 -0.14 0.00 -1.05 0.00 0.00 58.31 57.01 1mh2 n LYS 15 Cb 0.25 -1.22 -0.14 0.00 -0.65 0.00 0.00 35.03 33.26 1mh2 n LYS 15 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1mh2 s ARG 17 N -1.97 0.11 0.35 -1.58 3.52 -0.60 -5.14 118.95 113.64 1mh2 s ARG 17 Ca 0.21 0.44 -0.28 0.00 -0.13 0.00 0.00 55.73 55.97 1mh2 s ARG 17 Cb 0.10 -0.18 -0.10 0.00 -1.56 0.00 0.00 34.95 33.21 1mh2 s ARG 17 CO 0.16 -0.19 1.27 -1.54 -0.81 0.00 0.00 175.30 174.19 1mh2 s SER 18 N 1.40 6.68 0.62 -2.12 1.04 -1.26 -4.85 113.70 115.20 1mh2 s SER 18 Ca -0.07 2.61 0.32 0.00 0.48 0.00 0.00 55.95 59.29 1mh2 s SER 18 Cb -0.11 -2.64 1.82 0.00 0.10 0.00 0.00 66.02 65.18 1mh2 s SER 18 CO -0.07 -0.59 2.13 4.11 0.98 0.00 0.00 173.24 179.81 1mh2 h TRP 19 N 3.17 0.00 -0.04 5.02 5.08 -1.92 0.89 115.95 128.15 1mh2 h TRP 19 Ca -0.49 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.49 1mh2 h TRP 19 Cb 1.23 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1mh2 h TRP 19 CO 0.55 0.00 0.06 0.00 -1.28 0.00 0.00 178.44 177.78 1mh2 h ARG 20 N 0.00 0.00 0.00 0.12 2.47 -2.01 -0.80 114.38 114.16 1mh2 h ARG 20 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1mh2 h ARG 20 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1mh2 h ARG 20 CO -0.00 0.00 0.00 -0.44 0.56 0.00 0.00 179.97 180.09 1mh2 h ASP 21 N 0.00 0.00 -0.46 7.04 3.32 -1.18 -2.55 116.42 122.58 1mh2 h ASP 21 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1mh2 h ASP 21 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1mh2 h ASP 21 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1mh2 n PHE 22 N -2.80 0.70 0.59 4.55 3.72 -0.31 -4.48 117.46 119.43 1mh2 n PHE 22 Ca 0.01 -0.53 0.12 0.00 -0.05 0.00 0.00 57.45 57.00 1mh2 n PHE 22 Cb 0.29 -0.06 0.21 0.00 -0.94 0.00 0.00 39.48 38.98 1mh2 n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mh2 n ALA 23 N 0.78 2.85 -2.87 4.37 0.00 -0.96 -3.05 120.51 121.63 1mh2 n ALA 23 Ca 0.17 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 1mh2 n ALA 23 Cb 0.54 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 18.83 1mh2 n ALA 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mh2 n ASP 24 N -2.11 -1.14 -4.45 0.00 -0.08 -1.24 -3.84 116.55 103.68 1mh2 n ASP 24 Ca 0.04 -3.35 -0.33 0.00 -1.51 0.00 0.00 54.79 49.64 1mh2 n ASP 24 Cb 0.44 0.95 -0.13 0.00 2.34 0.00 0.00 41.12 44.71 1mh2 n ASP 24 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1mh2 s TYR 25 N -0.74 2.74 0.00 -0.67 6.14 -1.15 -0.05 117.35 123.61 1mh2 s TYR 25 Ca 0.28 -0.28 0.00 0.00 0.64 0.00 0.00 57.07 57.71 1mh2 s TYR 25 Cb 0.32 -1.69 0.00 0.00 0.42 0.00 0.00 41.96 41.02 1mh2 s TYR 25 CO -0.06 0.09 0.00 0.41 0.64 0.00 0.00 175.55 176.63 1mh2 n GLY 26 N 2.61 0.91 0.21 8.97 0.00 0.14 -1.82 105.19 116.22 1mh2 n GLY 26 Ca -0.17 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.25 1mh2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mh2 n TYR 28 N -0.84 0.00 -2.61 0.00 4.01 -1.25 -3.58 117.16 112.89 1mh2 n TYR 28 Ca 0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 1mh2 n TYR 28 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 1mh2 n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1mh2 n GLY 30 N 3.11 2.00 3.32 0.00 0.00 -1.17 -2.96 105.19 109.49 1mh2 n GLY 30 Ca 0.08 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1mh2 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mh2 n ARG 31 N 0.00 -2.98 0.22 1.61 3.00 -1.25 -4.96 116.66 112.30 1mh2 n ARG 31 Ca 0.00 -1.66 0.07 0.00 -0.01 0.00 0.00 57.85 56.24 1mh2 n ARG 31 Cb 0.00 -1.54 0.52 0.00 0.00 0.00 0.00 32.46 31.44 1mh2 n ARG 31 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1mh2 h GLY 32 N -2.57 0.00 0.00 -0.13 0.00 -1.89 -3.46 103.07 95.01 1mh2 h GLY 32 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1mh2 h GLY 32 CO 0.26 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.41 1mh2 n GLY 33 N -0.71 -2.79 3.61 4.60 0.00 -1.25 -5.03 105.19 103.63 1mh2 n GLY 33 Ca -0.02 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.90 1mh2 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mh2 s SER 34 N -1.28 -0.13 0.00 1.61 1.04 -1.23 -5.03 113.70 108.67 1mh2 s SER 34 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1mh2 s SER 34 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1mh2 s SER 34 CO 0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1mh2 n GLY 35 N -0.31 -1.75 3.72 7.32 0.00 -0.74 -4.70 105.19 108.72 1mh2 n GLY 35 Ca -0.05 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1mh2 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mh2 s THR 36 N 0.00 4.79 0.88 2.61 2.01 -1.25 -5.01 115.64 119.66 1mh2 s THR 36 Ca 0.00 -0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.82 1mh2 s THR 36 Cb 0.00 -3.08 0.06 0.00 0.01 0.00 0.00 72.50 69.49 1mh2 s THR 36 CO 0.00 0.56 0.80 -2.65 -0.69 0.00 0.00 174.62 172.64 1mh2 n PRO 37 N 2.57 -0.13 -0.00 4.92 -0.02 -1.26 -4.81 135.00 136.26 1mh2 n PRO 37 Ca -0.18 0.02 0.04 0.00 -2.02 0.00 0.00 63.50 61.36 1mh2 n PRO 37 Cb 0.54 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 1mh2 n PRO 37 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1mh2 n ILE 38 N -3.51 0.00 -3.83 4.25 -5.35 -1.26 -5.00 119.36 104.65 1mh2 n ILE 38 Ca 0.10 -0.24 -0.07 0.00 -0.27 0.00 0.00 62.75 62.27 1mh2 n ILE 38 Cb 0.52 0.59 -0.00 0.00 -1.74 0.00 0.00 39.64 39.01 1mh2 n ILE 38 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1mh2 s ASP 39 N -2.50 -0.15 0.32 7.28 1.47 -1.26 -5.02 116.67 116.81 1mh2 s ASP 39 Ca -0.01 -0.80 0.07 0.00 1.18 0.00 0.00 52.55 52.99 1mh2 s ASP 39 Cb 0.06 0.75 0.74 0.00 -0.34 0.00 0.00 42.92 44.13 1mh2 s ASP 39 CO 0.36 -1.44 1.83 0.44 0.68 0.00 0.00 175.17 177.04 1mh2 h ASP 40 N 2.00 0.75 -0.10 2.11 3.32 -1.97 -0.85 116.42 121.68 1mh2 h ASP 40 Ca -0.24 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1mh2 h ASP 40 Cb 1.25 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1mh2 h ASP 40 CO 0.30 0.35 -0.00 0.25 -1.72 0.00 0.00 179.24 178.42 1mh2 h LEU 41 N 0.78 0.18 -1.62 1.55 5.85 -1.90 -1.84 115.31 118.31 1mh2 h LEU 41 Ca 0.50 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1mh2 h LEU 41 Cb 0.74 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1mh2 h LEU 41 CO -0.27 0.45 0.03 -0.78 -0.34 0.00 0.00 178.44 177.53 1mh2 h ASP 42 N -0.09 0.25 -0.35 1.25 3.58 -1.77 -1.20 116.42 118.08 1mh2 h ASP 42 Ca 0.03 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 1mh2 h ASP 42 Cb 0.36 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1mh2 h ASP 42 CO 0.01 0.27 -0.11 -1.28 -2.88 0.00 0.00 179.24 175.24 1mh2 h SER 43 N 0.27 0.78 -0.79 2.28 0.87 -0.84 -2.61 113.55 113.51 1mh2 h SER 43 Ca 0.07 -0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1mh2 h SER 43 Cb 0.14 -0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 61.82 1mh2 h SER 43 CO -0.00 0.92 0.45 0.00 -0.53 0.00 0.00 176.83 177.67 1mh2 h GLN 46 N 0.39 -0.13 -0.44 0.00 4.15 -0.88 -0.45 115.11 117.74 1mh2 h GLN 46 Ca 0.07 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.58 1mh2 h GLN 46 Cb 0.51 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1mh2 h GLN 46 CO 0.03 0.03 0.30 0.28 -1.93 0.00 0.00 178.83 177.55 1mh2 h VAL 47 N -0.27 0.89 -0.23 2.39 2.07 -1.13 -1.01 116.25 118.97 1mh2 h VAL 47 Ca -0.01 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.28 1mh2 h VAL 47 Cb 0.22 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1mh2 h VAL 47 CO 0.02 0.04 -0.42 -0.74 0.02 0.00 0.00 177.57 176.49 1mh2 h HIS 48 N 0.22 0.87 0.39 1.57 -0.00 -0.75 -0.84 115.15 116.60 1mh2 h HIS 48 Ca 0.20 -0.31 -0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1mh2 h HIS 48 Cb 0.52 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.73 1mh2 h HIS 48 CO -0.00 1.08 -0.47 -0.44 -0.00 0.00 0.00 177.93 178.10 1mh2 h ASP 49 N 0.40 -1.31 -0.85 3.26 3.32 0.12 -1.13 116.42 120.24 1mh2 h ASP 49 Ca 0.01 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.23 1mh2 h ASP 49 Cb 1.02 0.45 -0.05 0.00 0.22 0.00 0.00 39.33 40.97 1mh2 h ASP 49 CO 0.09 -0.60 0.55 0.78 -1.72 0.00 0.00 179.24 178.34 1mh2 h ASN 50 N -0.89 0.85 -0.30 6.45 2.35 -1.23 -0.93 115.58 121.89 1mh2 h ASN 50 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1mh2 h ASN 50 Cb 0.80 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1mh2 h ASN 50 CO -0.11 0.56 0.18 0.00 -1.65 0.00 0.00 177.43 176.40 1mh2 h TYR 52 N 0.38 1.18 0.00 0.00 -1.99 -0.45 -1.93 116.97 114.16 1mh2 h TYR 52 Ca 0.11 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1mh2 h TYR 52 Cb 0.03 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 38.41 1mh2 h TYR 52 CO -0.04 0.92 -0.14 -0.91 -0.00 0.00 0.00 178.16 177.99 1mh2 h ASN 53 N 1.10 0.00 1.36 3.88 2.35 -0.78 -0.81 115.58 122.68 1mh2 h ASN 53 Ca 0.24 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 1mh2 h ASN 53 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1mh2 h ASN 53 CO -0.01 0.14 -0.64 -1.28 -1.65 0.00 0.00 177.43 173.98 1mh2 h SER 54 N 0.00 0.00 0.70 5.81 0.87 -0.73 -3.03 113.55 117.18 1mh2 h SER 54 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1mh2 h SER 54 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1mh2 h SER 54 CO 0.02 0.59 0.00 0.00 -0.53 0.00 0.00 176.83 176.90 1mh2 n ALA 55 N -2.26 2.38 0.48 6.23 0.00 -0.35 -2.58 120.51 124.41 1mh2 n ALA 55 Ca 0.01 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1mh2 n ALA 55 Cb 0.78 -1.46 0.13 0.00 0.00 0.00 0.00 19.45 18.89 1mh2 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mh2 h ARG 56 N 0.00 0.00 0.00 0.00 3.08 -1.32 -3.29 114.38 112.85 1mh2 h ARG 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mh2 h ARG 56 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1mh2 h ARG 56 CO 0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 1mh2 n GLU 57 N -2.22 0.02 -3.65 0.04 1.02 -1.06 -4.59 120.64 110.20 1mh2 n GLU 57 Ca 0.03 0.38 -0.36 0.00 -0.02 0.00 0.00 57.16 57.18 1mh2 n GLU 57 Cb 0.46 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 30.26 1mh2 n GLU 57 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1mh2 s GLN 58 N -3.05 4.04 0.24 3.49 -0.21 -1.24 -5.05 119.66 117.88 1mh2 s GLN 58 Ca 0.04 0.01 -0.30 0.00 0.02 0.00 0.00 55.36 55.12 1mh2 s GLN 58 Cb 0.06 -3.36 -0.14 0.00 1.00 0.00 0.00 33.01 30.57 1mh2 s GLN 58 CO 0.17 0.41 1.18 0.41 -2.12 0.00 0.00 175.29 175.34 1mh2 n GLY 59 N 2.98 0.17 3.49 3.09 0.00 -1.26 -2.08 105.19 111.58 1mh2 n GLY 59 Ca -0.15 0.44 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 1mh2 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mh2 n GLY 60 N 1.69 -0.48 3.22 -0.02 0.00 -1.26 -4.94 105.19 103.41 1mh2 n GLY 60 Ca 0.12 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1mh2 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mh2 s ARG 62 N 1.32 1.61 0.23 0.00 0.52 -1.26 -4.45 118.95 116.92 1mh2 s ARG 62 Ca 0.01 -1.87 -0.12 0.00 -0.52 0.00 0.00 55.73 53.23 1mh2 s ARG 62 Cb -0.21 -3.30 0.30 0.00 0.52 0.00 0.00 34.95 32.25 1mh2 s ARG 62 CO 0.00 -0.97 1.60 -1.35 0.02 0.00 0.00 175.30 174.60 1mh2 h PRO 63 N 7.71 -0.01 -0.45 3.54 0.11 -1.90 0.19 132.00 141.18 1mh2 h PRO 63 Ca -0.06 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.11 1mh2 h PRO 63 Cb 1.03 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1mh2 h PRO 63 CO 0.57 -0.01 0.15 0.87 -0.21 0.00 0.00 178.00 179.37 1mh2 h LYS 64 N -0.01 0.31 0.00 1.05 1.79 -1.96 -3.14 116.57 114.61 1mh2 h LYS 64 Ca 0.35 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.73 1mh2 h LYS 64 Cb 0.56 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1mh2 h LYS 64 CO -0.78 0.20 -1.15 1.96 -1.08 0.00 0.00 179.45 178.60 1mh2 h GLN 65 N 0.32 0.00 -6.71 3.15 1.08 -1.84 -3.06 115.11 108.03 1mh2 h GLN 65 Ca 0.21 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.89 1mh2 h GLN 65 Cb 0.22 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.70 1mh2 h GLN 65 CO -0.23 0.15 0.75 0.21 -0.95 0.00 0.00 178.83 178.76 1mh2 s LYS 66 N -3.15 4.29 -0.15 1.46 2.47 0.61 -4.77 119.74 120.50 1mh2 s LYS 66 Ca -0.01 2.25 -0.10 0.00 -1.56 0.00 0.00 55.97 56.56 1mh2 s LYS 66 Cb 0.09 -3.13 -0.05 0.00 -1.46 0.00 0.00 37.83 33.28 1mh2 s LYS 66 CO 0.80 -0.41 0.17 0.99 0.16 0.00 0.00 175.35 177.06 1mh2 s THR 67 N 0.15 5.41 0.47 3.43 2.01 -1.26 0.36 115.64 126.21 1mh2 s THR 67 Ca 0.60 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.91 1mh2 s THR 67 Cb -0.41 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1mh2 s THR 67 CO 0.41 0.52 0.08 -0.72 -0.69 0.00 0.00 174.62 174.21 1mh2 s TYR 68 N -0.28 1.78 -0.17 4.92 -0.85 -1.26 -4.81 117.35 116.68 1mh2 s TYR 68 Ca 0.13 -1.18 -0.01 0.00 -0.52 0.00 0.00 57.07 55.48 1mh2 s TYR 68 Cb -0.12 -1.34 -0.01 0.00 0.38 0.00 0.00 41.96 40.87 1mh2 s TYR 68 CO 0.02 -0.10 -0.12 0.99 -1.52 0.00 0.00 175.55 174.82 1mh2 s THR 69 N -3.05 2.94 0.23 -3.49 2.01 -1.26 -4.92 115.64 108.11 1mh2 s THR 69 Ca 0.13 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 1mh2 s THR 69 Cb 0.01 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1mh2 s THR 69 CO 0.09 0.49 0.43 -0.72 -0.69 0.00 0.00 174.62 174.22 1mh2 s TYR 70 N 0.89 0.41 0.01 4.92 1.13 -1.26 -1.49 117.35 121.95 1mh2 s TYR 70 Ca -0.03 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 54.87 1mh2 s TYR 70 Cb -0.15 0.11 -0.01 0.00 -1.10 0.00 0.00 41.96 40.82 1mh2 s TYR 70 CO -0.00 -0.93 -0.01 -1.14 -2.51 0.00 0.00 175.55 170.95 1mh2 s GLN 71 N -4.02 0.10 -0.26 -3.49 0.74 -0.16 -4.92 119.66 107.65 1mh2 s GLN 71 Ca 0.23 -0.19 0.03 0.00 0.05 0.00 0.00 55.36 55.47 1mh2 s GLN 71 Cb 0.00 0.03 0.06 0.00 1.10 0.00 0.00 33.01 34.20 1mh2 s GLN 71 CO 0.08 -0.01 -0.10 0.00 -0.55 0.00 0.00 175.29 174.70 1mh2 s LYS 73 N 1.11 0.10 -2.16 0.00 2.47 -1.06 -4.73 119.74 115.48 1mh2 s LYS 73 Ca -0.09 0.22 0.00 0.00 -1.56 0.00 0.00 55.97 54.55 1mh2 s LYS 73 Cb -0.20 -0.48 0.00 0.00 -1.46 0.00 0.00 37.83 35.69 1mh2 s LYS 73 CO -0.05 -0.23 0.00 0.00 0.16 0.00 0.00 175.35 175.23 1mh2 n ALA 74 N 4.68 -0.35 -0.13 3.13 0.00 -1.26 -0.27 120.51 126.31 1mh2 n ALA 74 Ca -0.16 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1mh2 n ALA 74 Cb 0.50 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1mh2 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mh2 n GLY 75 N -0.46 0.60 3.33 0.00 0.00 -1.26 -5.05 105.19 102.34 1mh2 n GLY 75 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1mh2 n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mh2 s GLY 76 N -1.48 1.99 0.29 -0.02 0.00 0.63 -4.65 107.32 104.07 1mh2 s GLY 76 Ca 0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 44.72 42.38 1mh2 s GLY 76 CO 0.00 0.97 1.07 1.08 0.00 0.00 0.00 173.10 176.23 1mh2 s LEU 77 N 1.52 4.52 -0.03 0.66 1.43 -1.26 -2.57 118.68 122.96 1mh2 s LEU 77 Ca 0.03 2.20 -0.01 0.00 -1.03 0.00 0.00 54.13 55.32 1mh2 s LEU 77 Cb -0.23 -3.68 0.02 0.00 0.03 0.00 0.00 46.19 42.34 1mh2 s LEU 77 CO 0.05 -0.14 0.07 -0.44 0.23 0.00 0.00 176.35 176.11 1mh2 s SER 78 N -0.99 -0.01 -0.16 2.29 0.01 -0.68 -4.99 113.70 109.16 1mh2 s SER 78 Ca 0.45 0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.70 1mh2 s SER 78 Cb -0.30 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1mh2 s SER 78 CO 0.38 -0.10 0.29 0.00 0.41 0.00 0.00 173.24 174.22 1mh2 s SER 80 N 0.49 5.29 0.00 0.00 0.01 -0.56 -4.94 113.70 113.99 1mh2 s SER 80 Ca 0.16 1.98 0.29 0.00 1.31 0.00 0.00 55.95 59.70 1mh2 s SER 80 Cb -0.13 -2.55 1.21 0.00 0.21 0.00 0.00 66.02 64.76 1mh2 s SER 80 CO 0.04 -1.50 1.89 0.61 0.41 0.00 0.00 173.24 174.69 1mh2 n GLY 81 N -0.53 -1.41 2.54 3.44 0.00 -1.26 -3.67 105.19 104.30 1mh2 n GLY 81 Ca 0.10 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1mh2 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mh2 n ALA 82 N -1.43 6.58 -2.99 4.61 0.00 -1.26 -4.88 120.51 121.14 1mh2 n ALA 82 Ca 0.08 -3.87 -0.23 0.00 0.00 0.00 0.00 53.44 49.42 1mh2 n ALA 82 Cb 0.32 -2.44 -0.16 0.00 0.00 0.00 0.00 19.45 17.17 1mh2 n ALA 82 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1mh2 s ASN 83 N -0.01 1.72 1.24 0.00 0.01 -1.24 -4.87 114.94 111.78 1mh2 s ASN 83 Ca 0.53 -0.28 -0.20 0.00 -0.71 0.00 0.00 52.86 52.21 1mh2 s ASN 83 Cb 0.26 -0.48 0.30 0.00 0.41 0.00 0.00 41.25 41.74 1mh2 s ASN 83 CO -0.16 0.11 1.08 0.54 -1.51 0.00 0.00 177.10 177.16 1mh2 s ASN 84 N 0.14 0.61 0.13 -1.22 2.20 -1.26 -4.54 114.94 111.00 1mh2 s ASN 84 Ca -0.04 0.66 -0.27 0.00 -0.94 0.00 0.00 52.86 52.28 1mh2 s ASN 84 Cb -0.10 -0.92 -0.03 0.00 -2.00 0.00 0.00 41.25 38.19 1mh2 s ASN 84 CO 0.01 -4.32 1.60 -1.28 -2.94 0.00 0.00 177.10 170.18 1mh2 h SER 85 N -2.71 -1.06 0.94 3.54 0.87 -2.01 0.48 113.55 113.60 1mh2 h SER 85 Ca -0.45 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.22 1mh2 h SER 85 Cb 1.30 0.44 0.01 0.00 -0.44 0.00 0.00 62.40 63.71 1mh2 h SER 85 CO 0.33 -0.38 -0.48 0.00 -0.53 0.00 0.00 176.83 175.77 1mh2 h ALA 87 N -1.27 0.81 -0.62 0.00 0.00 -1.86 -0.83 119.26 115.49 1mh2 h ALA 87 Ca -0.13 0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1mh2 h ALA 87 Cb 1.01 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1mh2 h ALA 87 CO 0.19 -0.21 0.41 0.00 0.00 0.00 0.00 179.25 179.64 1mh2 h ALA 88 N 1.44 1.92 0.15 0.00 0.00 -0.81 -0.50 119.26 121.47 1mh2 h ALA 88 Ca 0.32 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.99 1mh2 h ALA 88 Cb 0.42 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1mh2 h ALA 88 CO -0.33 -0.05 -1.07 1.79 0.00 0.00 0.00 179.25 179.59 1mh2 h THR 89 N 0.50 1.35 -0.12 0.00 1.35 -0.66 -2.77 112.91 112.55 1mh2 h THR 89 Ca 0.28 -2.53 -0.10 0.00 -0.55 0.00 0.00 66.41 63.52 1mh2 h THR 89 Cb 0.44 3.05 -0.01 0.00 -1.73 0.00 0.00 68.15 69.90 1mh2 h THR 89 CO -0.08 0.73 -0.36 0.71 -0.25 0.00 0.00 175.52 176.27 1mh2 h THR 90 N -0.28 1.29 0.25 6.82 1.35 -1.14 -1.06 112.91 120.13 1mh2 h THR 90 Ca -0.20 -1.39 -0.01 0.00 -0.55 0.00 0.00 66.41 64.25 1mh2 h THR 90 Cb 1.75 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 1mh2 h THR 90 CO 0.15 0.42 -0.12 0.00 -0.25 0.00 0.00 175.52 175.72 1mh2 h ASP 92 N -0.57 0.64 0.15 0.00 3.58 -1.29 0.22 116.42 119.15 1mh2 h ASP 92 Ca -0.03 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1mh2 h ASP 92 Cb 0.42 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1mh2 h ASP 92 CO 0.06 0.33 -0.07 0.00 -2.88 0.00 0.00 179.24 176.68 1mh2 h ASP 94 N -0.30 0.62 -0.10 0.00 3.32 -0.32 -1.07 116.42 118.57 1mh2 h ASP 94 Ca -0.02 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.01 1mh2 h ASP 94 Cb 0.24 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1mh2 h ASP 94 CO 0.03 0.49 -0.16 -0.09 -1.72 0.00 0.00 179.24 177.80 1mh2 h ARG 95 N 0.69 -0.21 -0.36 3.56 2.43 -0.48 0.20 114.38 120.21 1mh2 h ARG 95 Ca 0.19 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1mh2 h ARG 95 Cb -0.01 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1mh2 h ARG 95 CO -0.04 -0.14 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.20 1mh2 h LEU 96 N -0.22 0.54 0.04 3.80 3.38 -1.13 -1.78 115.31 119.94 1mh2 h LEU 96 Ca 0.09 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1mh2 h LEU 96 Cb 0.34 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1mh2 h LEU 96 CO -0.23 0.63 -0.02 0.00 0.09 0.00 0.00 178.44 178.91 1mh2 h ALA 97 N 1.44 -0.05 -0.95 1.53 0.00 -0.47 -1.90 119.26 118.87 1mh2 h ALA 97 Ca 0.11 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1mh2 h ALA 97 Cb 0.38 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1mh2 h ALA 97 CO 0.01 -0.38 0.60 0.00 0.00 0.00 0.00 179.25 179.49 1mh2 h ALA 98 N 0.60 1.33 -0.37 0.00 0.00 -0.44 -0.64 119.26 119.74 1mh2 h ALA 98 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1mh2 h ALA 98 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1mh2 h ALA 98 CO 0.01 0.34 -0.22 0.82 0.00 0.00 0.00 179.25 180.20 1mh2 h ILE 99 N 1.07 1.27 -0.12 0.00 2.04 -1.27 -2.63 117.51 117.87 1mh2 h ILE 99 Ca 0.42 -1.31 -0.10 0.00 1.00 0.00 0.00 64.86 64.87 1mh2 h ILE 99 Cb 0.22 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1mh2 h ILE 99 CO -0.19 0.44 -0.36 0.00 0.00 0.00 0.00 178.15 178.03 1mh2 h PHE 101 N 0.21 0.64 -0.20 0.00 -1.00 -0.80 -2.05 116.94 113.73 1mh2 h PHE 101 Ca 0.02 -0.18 -0.08 0.00 2.81 0.00 0.00 57.97 60.55 1mh2 h PHE 101 Cb 0.74 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.15 1mh2 h PHE 101 CO 0.01 0.85 -0.21 0.00 -1.61 0.00 0.00 178.31 177.35 1mh2 h ALA 102 N 1.13 1.27 0.05 2.45 0.00 -1.20 -3.27 119.26 119.69 1mh2 h ALA 102 Ca 0.04 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 54.35 1mh2 h ALA 102 Cb 0.87 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1mh2 h ALA 102 CO 0.07 0.48 -1.74 0.78 0.00 0.00 0.00 179.25 178.85 1mh2 h GLY 103 N 0.95 0.11 -4.15 0.00 0.00 -1.44 -3.47 103.07 95.07 1mh2 h GLY 103 Ca 0.05 -0.29 -0.52 0.00 0.00 0.00 0.00 47.33 46.57 1mh2 h GLY 103 CO 0.04 0.25 0.65 0.00 0.00 0.00 0.00 176.54 177.48 1mh2 s ALA 104 N -2.59 3.52 0.42 3.60 0.00 -0.78 -5.00 121.76 120.92 1mh2 s ALA 104 Ca -0.10 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.76 1mh2 s ALA 104 Cb 0.08 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1mh2 s ALA 104 CO 0.81 -0.54 1.08 -2.14 0.00 0.00 0.00 175.76 174.97 1mh2 s PRO 105 N -0.51 4.05 -0.24 0.00 0.02 -1.26 -4.89 135.00 132.17 1mh2 s PRO 105 Ca 0.55 1.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.04 1mh2 s PRO 105 Cb -0.37 -2.50 -0.05 0.00 0.02 0.00 0.00 34.50 31.60 1mh2 s PRO 105 CO 0.41 -0.26 0.17 -0.47 -0.33 0.00 0.00 177.00 176.53 1mh2 s TYR 106 N -1.63 3.32 -0.23 6.54 6.14 -1.26 -4.55 117.35 125.68 1mh2 s TYR 106 Ca 0.59 0.25 -0.05 0.00 0.64 0.00 0.00 57.07 58.51 1mh2 s TYR 106 Cb -0.24 -2.28 -0.01 0.00 0.42 0.00 0.00 41.96 39.86 1mh2 s TYR 106 CO 0.29 0.08 -0.01 1.21 0.64 0.00 0.00 175.55 177.76 1mh2 s ASN 107 N 1.01 4.52 0.41 4.32 3.84 -1.26 -4.99 114.94 122.79 1mh2 s ASN 107 Ca 0.08 -0.39 0.15 0.00 0.21 0.00 0.00 52.86 52.91 1mh2 s ASN 107 Cb -0.13 -1.78 0.87 0.00 -0.55 0.00 0.00 41.25 39.65 1mh2 s ASN 107 CO 0.04 -0.04 1.89 0.44 -2.79 0.00 0.00 177.10 176.65 1mh2 h ASP 108 N 8.14 0.00 0.48 -4.21 3.32 -1.97 -2.09 116.42 120.10 1mh2 h ASP 108 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1mh2 h ASP 108 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1mh2 h ASP 108 CO 0.60 0.30 0.00 0.78 -1.72 0.00 0.00 179.24 179.20 1mh2 h ASN 109 N 0.00 0.00 -0.54 6.45 2.35 -2.02 -2.23 115.58 119.59 1mh2 h ASN 109 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1mh2 h ASN 109 Cb 0.55 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.86 1mh2 h ASN 109 CO 0.04 0.00 0.11 0.59 -1.65 0.00 0.00 177.43 176.51 1mh2 n ASN 110 N -2.42 4.58 -4.42 5.81 4.13 -0.79 -4.83 115.26 117.32 1mh2 n ASN 110 Ca 0.00 -3.16 -0.34 0.00 1.68 0.00 0.00 54.58 52.77 1mh2 n ASN 110 Cb 0.17 -0.67 -0.13 0.00 -1.54 0.00 0.00 39.78 37.61 1mh2 n ASN 110 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1mh2 s TYR 111 N -2.93 2.95 -1.05 3.10 5.04 -0.84 0.23 117.35 123.85 1mh2 s TYR 111 Ca 0.51 -0.53 -0.14 0.00 -2.44 0.00 0.00 57.07 54.47 1mh2 s TYR 111 Cb 0.41 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.73 1mh2 s TYR 111 CO 0.12 -0.20 0.81 -1.71 -1.34 0.00 0.00 175.55 173.23 1mh2 n ASN 112 N 3.82 -5.94 -4.94 4.32 5.15 0.93 -4.97 115.26 113.64 1mh2 n ASN 112 Ca -0.18 -0.83 -0.25 0.00 -0.60 0.00 0.00 54.58 52.72 1mh2 n ASN 112 Cb 0.52 -3.99 -0.02 0.00 -0.53 0.00 0.00 39.78 35.77 1mh2 n ASN 112 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1mh2 s ILE 113 N -3.37 5.12 -0.61 -1.44 -4.36 -1.26 -5.01 121.20 110.27 1mh2 s ILE 113 Ca 0.40 -0.41 -0.27 0.00 -0.26 0.00 0.00 60.65 60.11 1mh2 s ILE 113 Cb -0.11 -3.83 -0.00 0.00 1.25 0.00 0.00 42.46 39.76 1mh2 s ILE 113 CO 0.82 -0.47 1.64 -0.62 0.24 0.00 0.00 174.94 176.55 1mh2 s ASP 114 N -3.81 5.69 0.17 4.36 2.15 -1.26 -4.87 116.67 119.10 1mh2 s ASP 114 Ca 0.40 0.23 -0.15 0.00 0.43 0.00 0.00 52.55 53.46 1mh2 s ASP 114 Cb -0.10 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.08 1mh2 s ASP 114 CO 0.34 -2.07 1.75 -0.07 -0.17 0.00 0.00 175.17 174.95 1mh2 h LEU 115 N 14.78 0.15 -1.17 -1.34 3.38 -1.94 -1.56 115.31 127.61 1mh2 h LEU 115 Ca -0.27 0.05 0.23 0.00 0.09 0.00 0.00 57.88 57.97 1mh2 h LEU 115 Cb 1.12 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 1mh2 h LEU 115 CO 1.21 0.12 0.62 0.50 0.09 0.00 0.00 178.44 180.99 1mh2 h LYS 116 N 0.31 0.55 0.00 1.13 3.64 -2.00 0.15 116.57 120.35 1mh2 h LYS 116 Ca 0.19 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1mh2 h LYS 116 Cb 0.18 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1mh2 h LYS 116 CO -0.19 0.36 -1.30 0.00 -2.27 0.00 0.00 179.45 176.06 1mh2 n ALA 117 N -2.39 2.45 -0.09 5.00 0.00 -1.04 -4.55 120.51 119.89 1mh2 n ALA 117 Ca 0.24 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1mh2 n ALA 117 Cb 0.72 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 19.03 1mh2 n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mh2 n ARG 118 N -2.64 0.95 0.00 0.00 5.12 -0.62 -4.90 116.66 114.58 1mh2 n ARG 118 Ca -0.03 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1mh2 n ARG 118 Cb 0.62 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 1mh2 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70