#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnm s SER 2 N 0.00 -0.11 -0.18 1.61 1.04 -1.26 -5.07 113.70 109.73 2dnm s SER 2 Ca 0.00 -0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 2dnm s SER 2 Cb 0.00 0.37 -0.22 0.00 0.10 0.00 0.00 66.02 66.27 2dnm s SER 2 CO 0.00 -0.68 0.17 -0.24 0.98 0.00 0.00 173.24 173.46 2dnm n SER 3 N -0.57 2.02 0.00 7.02 2.88 -1.26 -5.06 113.62 118.66 2dnm n SER 3 Ca -0.06 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2dnm n SER 3 Cb 0.61 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2dnm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnm n GLY 4 N 1.82 1.30 3.69 0.46 0.00 -1.26 -5.09 105.19 106.11 2dnm n GLY 4 Ca -0.36 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2dnm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnm s SER 5 N 0.00 6.60 0.30 1.61 0.15 -1.26 -4.94 113.70 116.16 2dnm s SER 5 Ca 0.00 2.50 -0.29 0.00 0.70 0.00 0.00 55.95 58.86 2dnm s SER 5 Cb 0.00 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.64 2dnm s SER 5 CO 0.00 -0.88 1.44 -0.94 1.20 0.00 0.00 173.24 174.06 2dnm s SER 6 N 2.27 6.59 0.00 5.45 1.04 -1.26 -4.93 113.70 122.85 2dnm s SER 6 Ca 0.73 2.78 0.00 0.00 0.48 0.00 0.00 55.95 59.95 2dnm s SER 6 Cb -0.40 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.08 2dnm s SER 6 CO 0.32 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2dnm n GLY 7 N 1.52 -0.43 0.09 7.32 0.00 -1.26 -4.98 105.19 107.45 2dnm n GLY 7 Ca 0.04 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.68 2dnm n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnm h PRO 8 N 0.00 0.00 -6.06 1.61 0.13 -2.06 -3.46 132.00 122.16 2dnm h PRO 8 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 2dnm h PRO 8 Cb 0.00 0.00 0.16 0.00 0.13 0.00 0.00 31.00 31.29 2dnm h PRO 8 CO 0.00 0.84 -0.90 -0.25 -0.23 0.00 0.00 178.00 177.46 2dnm n ASP 9 N -3.52 -2.72 -3.57 1.44 8.00 -1.26 -4.98 116.55 109.94 2dnm n ASP 9 Ca -0.00 0.79 -0.19 0.00 0.71 0.00 0.00 54.79 56.10 2dnm n ASP 9 Cb 0.81 -0.91 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 2dnm n ASP 9 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dnm s VAL 10 N -1.72 -0.28 0.00 2.53 1.01 -1.26 -5.07 120.40 115.62 2dnm s VAL 10 Ca 0.60 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2dnm s VAL 10 Cb -0.60 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2dnm s VAL 10 CO 0.62 -0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.96 2dnm n ASP 11 N 5.32 0.00 -2.68 3.32 2.03 -1.26 -5.01 116.55 118.27 2dnm n ASP 11 Ca -0.05 0.34 0.01 0.00 0.52 0.00 0.00 54.79 55.60 2dnm n ASP 11 Cb 0.50 -0.41 0.02 0.00 -0.72 0.00 0.00 41.12 40.51 2dnm n ASP 11 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2dnm s GLY 12 N -1.95 -1.71 -0.22 0.27 0.00 -1.26 -5.07 107.32 97.39 2dnm s GLY 12 Ca 0.00 1.31 -0.15 0.00 0.00 0.00 0.00 44.72 45.88 2dnm s GLY 12 CO 0.00 4.43 -0.34 1.15 0.00 0.00 0.00 173.10 178.34 2dnm n MET 13 N 3.31 0.54 -3.63 2.90 0.00 -1.26 -5.01 117.12 113.97 2dnm n MET 13 Ca 0.06 0.23 -0.10 0.00 0.00 0.00 0.00 57.70 57.88 2dnm n MET 13 Cb 0.65 -1.42 -0.11 0.00 0.00 0.00 0.00 33.22 32.34 2dnm n MET 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2dnm s ILE 14 N -2.69 -0.56 -0.14 3.17 -1.09 -1.26 -5.03 121.20 113.60 2dnm s ILE 14 Ca -0.33 0.18 -0.00 0.00 -2.23 0.00 0.00 60.65 58.27 2dnm s ILE 14 Cb 0.09 -0.60 0.03 0.00 -1.58 0.00 0.00 42.46 40.40 2dnm s ILE 14 CO 0.44 0.06 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.24 2dnm s THR 15 N 2.53 1.25 -0.23 2.92 2.01 -1.26 -1.78 115.64 121.07 2dnm s THR 15 Ca 0.01 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 2dnm s THR 15 Cb -0.12 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2dnm s THR 15 CO -0.12 0.31 0.02 -0.76 -0.69 0.00 0.00 174.62 173.39 2dnm s LEU 16 N 1.60 3.22 0.04 4.42 1.43 0.11 -2.95 118.68 126.56 2dnm s LEU 16 Ca 0.03 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 2dnm s LEU 16 Cb -0.14 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 2dnm s LEU 16 CO -0.09 -0.02 0.45 -0.75 0.23 0.00 0.00 176.35 176.17 2dnm s LYS 17 N 1.50 3.94 -0.07 1.70 2.20 0.25 -1.37 119.74 127.90 2dnm s LYS 17 Ca 0.06 0.44 0.03 0.00 -0.36 0.00 0.00 55.97 56.13 2dnm s LYS 17 Cb -0.15 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 2dnm s LYS 17 CO 0.01 0.64 -0.16 0.08 -0.36 0.00 0.00 175.35 175.56 2dnm s VAL 18 N -1.18 1.39 0.43 4.02 1.01 -0.91 -1.07 120.40 124.09 2dnm s VAL 18 Ca 0.28 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2dnm s VAL 18 Cb -0.17 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 2dnm s VAL 18 CO 0.16 0.41 0.06 -1.81 0.00 0.00 0.00 175.10 173.91 2dnm s ASP 19 N 0.50 4.07 -1.16 3.32 1.11 -0.77 -0.09 116.67 123.63 2dnm s ASP 19 Ca -0.14 -1.36 -0.01 0.00 0.18 0.00 0.00 52.55 51.22 2dnm s ASP 19 Cb -0.16 -0.21 -0.01 0.00 1.07 0.00 0.00 42.92 43.62 2dnm s ASP 19 CO 0.05 -0.57 0.97 -3.20 1.18 0.00 0.00 175.17 173.60 2dnm n ASN 20 N -1.11 -2.67 -4.31 0.27 5.15 -1.19 -3.15 115.26 108.25 2dnm n ASN 20 Ca -0.07 -0.62 -0.37 0.00 -0.60 0.00 0.00 54.58 52.92 2dnm n ASN 20 Cb 0.66 -5.08 -0.13 0.00 -0.53 0.00 0.00 39.78 34.71 2dnm n ASN 20 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dnm s LEU 21 N -6.17 3.83 0.66 1.20 1.43 -1.26 -4.77 118.68 113.61 2dnm s LEU 21 Ca 0.06 -0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 52.18 2dnm s LEU 21 Cb -0.01 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2dnm s LEU 21 CO 0.72 -0.21 1.16 0.28 0.23 0.00 0.00 176.35 178.54 2dnm s THR 22 N 1.45 2.80 0.18 5.49 -1.32 -1.26 -4.81 115.64 118.17 2dnm s THR 22 Ca 0.01 0.41 -0.23 0.00 -1.21 0.00 0.00 61.69 60.67 2dnm s THR 22 Cb -0.18 -2.98 0.09 0.00 -1.51 0.00 0.00 72.50 67.92 2dnm s THR 22 CO 0.01 -0.19 1.57 0.22 -2.21 0.00 0.00 174.62 174.02 2dnm h TYR 23 N 0.14 -1.18 -1.43 9.09 3.20 -1.99 0.40 116.97 125.21 2dnm h TYR 23 Ca -0.48 0.09 0.44 0.00 3.14 0.00 0.00 58.73 61.91 2dnm h TYR 23 Cb 1.27 0.61 -0.08 0.00 1.54 0.00 0.00 36.73 40.08 2dnm h TYR 23 CO 0.50 -0.41 0.99 0.54 -1.64 0.00 0.00 178.16 178.15 2dnm n ARG 24 N -5.42 -0.01 -1.65 1.82 3.00 -1.26 -4.33 116.66 108.80 2dnm n ARG 24 Ca 0.04 0.92 -0.48 0.00 -0.01 0.00 0.00 57.85 58.32 2dnm n ARG 24 Cb 0.35 -2.01 -0.05 0.00 0.00 0.00 0.00 32.46 30.76 2dnm n ARG 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2dnm n THR 25 N -3.82 0.54 -4.40 0.55 -1.04 0.14 -4.97 114.28 101.28 2dnm n THR 25 Ca 0.35 -0.15 -0.26 0.00 -2.04 0.00 0.00 64.05 61.95 2dnm n THR 25 Cb 1.50 -1.93 -0.11 0.00 -1.82 0.00 0.00 70.33 67.98 2dnm n THR 25 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2dnm s SER 26 N 4.73 3.64 0.29 8.00 0.01 -1.26 -4.97 113.70 124.14 2dnm s SER 26 Ca 0.95 -0.84 0.03 0.00 1.31 0.00 0.00 55.95 57.40 2dnm s SER 26 Cb -0.67 -0.36 0.73 0.00 0.21 0.00 0.00 66.02 65.93 2dnm s SER 26 CO 0.50 0.10 1.64 -0.65 0.41 0.00 0.00 173.24 175.24 2dnm h PRO 27 N 2.96 0.19 -0.04 12.44 0.11 -1.97 0.25 132.00 145.93 2dnm h PRO 27 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2dnm h PRO 27 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2dnm h PRO 27 CO 0.51 0.12 0.02 -0.44 -0.21 0.00 0.00 178.00 178.01 2dnm h ASP 28 N 0.19 0.04 0.50 -2.05 5.19 -1.99 -1.11 116.42 117.18 2dnm h ASP 28 Ca 0.57 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.95 2dnm h ASP 28 Cb 1.16 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2dnm h ASP 28 CO -0.67 0.03 -0.24 -1.28 -3.12 0.00 0.00 179.24 173.96 2dnm h SER 29 N 0.05 -0.56 -1.04 6.45 0.87 -1.36 -1.96 113.55 115.99 2dnm h SER 29 Ca 0.01 -0.07 0.29 0.00 -1.23 0.00 0.00 61.79 60.80 2dnm h SER 29 Cb -0.00 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 2dnm h SER 29 CO -0.01 -0.24 0.74 0.25 -0.53 0.00 0.00 176.83 177.04 2dnm h LEU 30 N -0.92 0.08 0.02 2.23 5.85 -0.61 -0.14 115.31 121.82 2dnm h LEU 30 Ca -0.07 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2dnm h LEU 30 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2dnm h LEU 30 CO 0.11 0.02 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.13 2dnm h ARG 31 N 0.08 -0.03 -0.80 1.25 2.43 -0.97 -3.22 114.38 113.13 2dnm h ARG 31 Ca 0.51 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.86 2dnm h ARG 31 Cb 1.90 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.40 2dnm h ARG 31 CO -0.06 0.60 0.54 -0.09 -1.51 0.00 0.00 179.97 179.45 2dnm h ARG 32 N -0.69 0.33 -0.74 0.20 2.43 -0.27 0.39 114.38 116.03 2dnm h ARG 32 Ca -0.00 -0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.31 2dnm h ARG 32 Cb 0.64 -0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 29.99 2dnm h ARG 32 CO 0.00 0.22 -0.00 0.28 -1.51 0.00 0.00 179.97 178.96 2dnm h VAL 33 N 0.34 0.35 0.00 0.20 2.07 -1.36 -1.95 116.25 115.90 2dnm h VAL 33 Ca 0.40 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.75 2dnm h VAL 33 Cb 1.05 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2dnm h VAL 33 CO -0.12 0.02 -2.05 0.49 0.02 0.00 0.00 177.57 175.93 2dnm n PHE 34 N -5.35 0.11 -0.20 1.57 3.72 -0.61 -4.30 117.46 112.40 2dnm n PHE 34 Ca 0.13 0.03 0.19 0.00 -0.05 0.00 0.00 57.45 57.75 2dnm n PHE 34 Cb 0.46 -0.72 0.54 0.00 -0.94 0.00 0.00 39.48 38.81 2dnm n PHE 34 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2dnm h GLU 35 N 0.00 0.35 -0.91 -1.08 4.22 0.47 0.46 114.58 118.09 2dnm h GLU 35 Ca -0.19 -0.02 0.13 0.00 0.08 0.00 0.00 59.36 59.36 2dnm h GLU 35 Cb 1.45 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 2dnm h GLU 35 CO 0.01 0.23 0.58 -0.22 -2.18 0.00 0.00 179.01 177.43 2dnm h LYS 36 N 0.36 0.74 0.00 1.92 3.11 -1.61 -3.29 116.57 117.80 2dnm h LYS 36 Ca 0.43 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 58.15 2dnm h LYS 36 Cb 1.11 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.16 2dnm h LYS 36 CO -0.14 0.49 -1.24 0.66 -2.81 0.00 0.00 179.45 176.42 2dnm n TYR 37 N -4.57 0.00 -4.14 1.91 4.01 0.20 -5.05 117.16 109.52 2dnm n TYR 37 Ca 0.17 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.76 2dnm n TYR 37 Cb 0.43 -0.58 -0.11 0.00 -0.31 0.00 0.00 39.34 38.76 2dnm n TYR 37 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2dnm s GLY 38 N -5.00 0.75 1.36 2.72 0.00 0.14 -5.04 107.32 102.25 2dnm s GLY 38 Ca -0.31 -0.97 -0.19 0.00 0.00 0.00 0.00 44.72 43.25 2dnm s GLY 38 CO 0.44 -1.02 0.92 0.54 0.00 0.00 0.00 173.10 173.98 2dnm n ARG 39 N 1.16 -3.88 -4.00 2.90 3.00 -1.26 -2.72 116.66 111.86 2dnm n ARG 39 Ca -0.20 -1.13 -0.31 0.00 -0.01 0.00 0.00 57.85 56.19 2dnm n ARG 39 Cb 0.55 -2.02 -0.15 0.00 0.00 0.00 0.00 32.46 30.84 2dnm n ARG 39 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2dnm s VAL 40 N -2.23 1.82 0.22 1.55 1.01 -1.26 -4.30 120.40 117.21 2dnm s VAL 40 Ca 0.68 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 2dnm s VAL 40 Cb -0.18 -2.00 0.16 0.00 0.00 0.00 0.00 36.38 34.36 2dnm s VAL 40 CO 0.61 -0.03 1.80 1.23 0.00 0.00 0.00 175.10 178.70 2dnm h GLY 41 N 7.88 1.02 -4.92 4.51 0.00 -0.80 -3.45 103.07 107.31 2dnm h GLY 41 Ca -0.20 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 46.90 2dnm h GLY 41 CO 0.44 0.12 0.35 -0.35 0.00 0.00 0.00 176.54 177.10 2dnm s ASP 42 N -5.57 -0.55 -0.11 0.19 2.15 -1.24 -4.98 116.67 106.57 2dnm s ASP 42 Ca -0.13 0.92 0.00 0.00 0.43 0.00 0.00 52.55 53.78 2dnm s ASP 42 Cb 0.17 0.89 -0.02 0.00 -0.30 0.00 0.00 42.92 43.66 2dnm s ASP 42 CO 0.76 -0.28 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.67 2dnm s VAL 43 N -0.18 3.09 -0.09 1.11 1.01 -1.26 -1.65 120.40 122.44 2dnm s VAL 43 Ca -0.01 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2dnm s VAL 43 Cb -0.03 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.08 2dnm s VAL 43 CO -0.01 0.54 -0.12 -0.47 0.00 0.00 0.00 175.10 175.04 2dnm s TYR 44 N 0.11 1.60 -0.35 5.22 5.04 -0.33 -5.03 117.35 123.62 2dnm s TYR 44 Ca -0.06 -0.68 -0.00 0.00 -2.44 0.00 0.00 57.07 53.89 2dnm s TYR 44 Cb -0.15 -1.20 0.12 0.00 0.35 0.00 0.00 41.96 41.08 2dnm s TYR 44 CO 0.05 -0.38 0.16 0.42 -1.34 0.00 0.00 175.55 174.45 2dnm s ILE 45 N 0.96 0.78 0.94 3.14 1.01 -1.26 -1.62 121.20 125.15 2dnm s ILE 45 Ca -0.08 -1.68 -0.13 0.00 0.00 0.00 0.00 60.65 58.75 2dnm s ILE 45 Cb -0.15 -1.58 0.16 0.00 0.01 0.00 0.00 42.46 40.90 2dnm s ILE 45 CO -0.00 -0.79 1.15 -2.16 0.00 0.00 0.00 174.94 173.13 2dnm s PRO 46 N 1.25 0.89 0.03 2.79 0.04 -1.26 -4.99 135.00 133.74 2dnm s PRO 46 Ca 0.13 0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.31 2dnm s PRO 46 Cb -0.20 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2dnm s PRO 46 CO -0.15 -2.36 0.18 -0.98 0.04 0.00 0.00 177.00 173.73 2dnm s ARG 47 N -5.32 0.63 0.92 4.56 3.03 -1.26 -3.52 118.95 117.99 2dnm s ARG 47 Ca 0.65 -0.57 -0.16 0.00 2.03 0.00 0.00 55.73 57.68 2dnm s ARG 47 Cb -0.14 0.26 -0.11 0.00 -1.03 0.00 0.00 34.95 33.94 2dnm s ARG 47 CO 0.54 -0.17 -0.42 0.39 -1.13 0.00 0.00 175.30 174.51 2dnm n GLU 48 N 0.90 -0.04 0.04 3.89 1.02 0.01 -4.67 120.64 121.78 2dnm n GLU 48 Ca -0.20 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.75 2dnm n GLU 48 Cb 0.58 -1.22 -0.09 0.00 -0.02 0.00 0.00 31.44 30.69 2dnm n GLU 48 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dnm h PRO 49 N -0.97 0.68 0.00 3.49 0.13 -2.01 -3.39 132.00 129.93 2dnm h PRO 49 Ca -0.44 -0.70 -0.06 0.00 -0.87 0.00 0.00 66.00 63.93 2dnm h PRO 49 Cb 1.31 0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.63 2dnm h PRO 49 CO 0.28 1.29 -0.59 0.45 -0.23 0.00 0.00 178.00 179.20 2dnm h HIS 50 N 0.40 0.00 -4.13 1.56 3.86 -1.99 -3.48 115.15 111.37 2dnm h HIS 50 Ca -0.11 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.63 2dnm h HIS 50 Cb 1.64 0.00 0.08 0.00 1.06 0.00 0.00 27.41 30.20 2dnm h HIS 50 CO 0.09 0.46 0.31 0.95 0.86 0.00 0.00 177.93 180.60 2dnm s THR 51 N -2.16 2.36 -0.65 2.45 -4.23 -1.26 -5.01 115.64 107.14 2dnm s THR 51 Ca -0.16 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 2dnm s THR 51 Cb 0.02 -3.07 0.39 0.00 1.34 0.00 0.00 72.50 71.19 2dnm s THR 51 CO 0.32 -0.08 1.64 0.29 -0.54 0.00 0.00 174.62 176.24 2dnm n LYS 52 N -3.05 3.05 -4.43 3.99 5.02 -1.26 -4.00 118.16 117.48 2dnm n LYS 52 Ca 0.08 -3.91 -0.20 0.00 -2.02 0.00 0.00 58.31 52.26 2dnm n LYS 52 Cb 0.60 -2.26 -0.14 0.00 -0.02 0.00 0.00 35.03 33.21 2dnm n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dnm s ALA 53 N -3.83 1.05 -0.36 7.82 0.00 -1.26 -4.96 121.76 120.22 2dnm s ALA 53 Ca 0.52 -0.66 -0.39 0.00 0.00 0.00 0.00 51.96 51.42 2dnm s ALA 53 Cb 0.43 -0.21 -0.15 0.00 0.00 0.00 0.00 23.12 23.19 2dnm s ALA 53 CO -0.27 0.22 1.99 -2.30 0.00 0.00 0.00 175.76 175.40 2dnm n PRO 54 N 2.34 0.85 0.00 0.00 -0.02 -1.26 -0.81 135.00 136.10 2dnm n PRO 54 Ca -0.16 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2dnm n PRO 54 Cb 0.55 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2dnm n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dnm n ARG 55 N 6.83 0.00 0.00 -0.52 1.74 -1.23 -4.76 116.66 118.73 2dnm n ARG 55 Ca 0.38 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.37 2dnm n ARG 55 Cb 0.13 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2dnm n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dnm n GLY 56 N -1.00 0.00 3.59 -0.13 0.00 -1.26 -4.94 105.19 101.46 2dnm n GLY 56 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2dnm n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dnm s PHE 57 N 0.00 -0.16 0.22 1.61 -0.12 -1.26 -3.19 117.98 115.07 2dnm s PHE 57 Ca 0.00 0.16 -0.00 0.00 -0.05 0.00 0.00 56.93 57.04 2dnm s PHE 57 Cb 0.00 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 2dnm s PHE 57 CO 0.00 -0.22 0.14 0.00 -0.05 0.00 0.00 175.22 175.09 2dnm s ALA 58 N -2.05 1.29 -0.16 1.99 0.00 0.86 -4.35 121.76 119.35 2dnm s ALA 58 Ca 0.07 -1.75 -0.00 0.00 0.00 0.00 0.00 51.96 50.28 2dnm s ALA 58 Cb -0.01 1.36 0.04 0.00 0.00 0.00 0.00 23.12 24.51 2dnm s ALA 58 CO -0.05 -0.58 -0.06 -0.06 0.00 0.00 0.00 175.76 175.01 2dnm s PHE 59 N -4.06 1.73 -0.06 0.00 0.40 -0.64 -2.15 117.98 113.21 2dnm s PHE 59 Ca 0.39 -1.07 0.04 0.00 -0.60 0.00 0.00 56.93 55.69 2dnm s PHE 59 Cb 0.07 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 2dnm s PHE 59 CO 0.14 -0.61 -0.19 0.08 0.70 0.00 0.00 175.22 175.34 2dnm s VAL 60 N 1.62 2.66 -0.07 -0.44 1.01 -0.47 -1.18 120.40 123.53 2dnm s VAL 60 Ca 0.01 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2dnm s VAL 60 Cb -0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2dnm s VAL 60 CO -0.08 0.58 -0.03 -0.13 0.00 0.00 0.00 175.10 175.44 2dnm s ARG 61 N -0.43 2.86 0.32 2.72 0.52 -0.66 0.05 118.95 124.32 2dnm s ARG 61 Ca 0.05 -0.49 0.08 0.00 -0.52 0.00 0.00 55.73 54.85 2dnm s ARG 61 Cb -0.12 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 2dnm s ARG 61 CO 0.02 0.68 0.23 -0.06 0.02 0.00 0.00 175.30 176.19 2dnm s PHE 62 N -0.87 2.90 -0.13 -0.53 0.40 -0.74 -0.16 117.98 118.85 2dnm s PHE 62 Ca 0.14 -0.28 0.19 0.00 -0.60 0.00 0.00 56.93 56.38 2dnm s PHE 62 Cb -0.11 -1.66 -0.24 0.00 0.51 0.00 0.00 43.02 41.51 2dnm s PHE 62 CO 0.03 0.30 0.39 0.72 0.70 0.00 0.00 175.22 177.35 2dnm n HIS 63 N -1.27 0.28 -4.62 0.36 8.25 -1.26 -4.48 115.22 112.48 2dnm n HIS 63 Ca -0.03 0.10 -0.29 0.00 -0.26 0.00 0.00 57.72 57.23 2dnm n HIS 63 Cb 0.60 -0.90 -0.08 0.00 1.12 0.00 0.00 29.99 30.73 2dnm n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2dnm s ASP 64 N -5.33 3.41 -0.21 0.41 -1.08 -1.26 -5.02 116.67 107.58 2dnm s ASP 64 Ca -0.08 -1.64 -0.07 0.00 -0.52 0.00 0.00 52.55 50.24 2dnm s ASP 64 Cb 0.09 0.46 -0.11 0.00 -1.46 0.00 0.00 42.92 41.90 2dnm s ASP 64 CO 0.85 -0.87 -0.25 -1.14 0.52 0.00 0.00 175.17 174.28 2dnm n ARG 65 N -1.06 0.48 0.22 4.34 0.63 -1.26 -4.06 116.66 115.95 2dnm n ARG 65 Ca -0.12 0.18 0.18 0.00 -0.92 0.00 0.00 57.85 57.17 2dnm n ARG 65 Cb 0.66 -1.32 0.85 0.00 0.45 0.00 0.00 32.46 33.11 2dnm n ARG 65 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 2dnm h ARG 66 N -0.54 0.00 0.08 -0.14 0.11 -1.99 -1.52 114.38 110.39 2dnm h ARG 66 Ca -0.52 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.44 2dnm h ARG 66 Cb 1.55 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.64 2dnm h ARG 66 CO -0.25 0.00 -0.55 -0.44 0.10 0.00 0.00 179.97 178.83 2dnm h ASP 67 N 0.00 0.26 0.21 0.08 3.32 -1.97 -3.12 116.42 115.21 2dnm h ASP 67 Ca 0.08 -0.95 -0.00 0.00 0.02 0.00 0.00 57.03 56.18 2dnm h ASP 67 Cb 0.52 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 2dnm h ASP 67 CO -0.00 1.26 -0.02 0.00 -1.72 0.00 0.00 179.24 178.76 2dnm h ALA 68 N 0.02 1.11 0.00 3.45 0.00 -1.46 -0.53 119.26 121.85 2dnm h ALA 68 Ca -0.10 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 2dnm h ALA 68 Cb 1.39 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2dnm h ALA 68 CO 0.07 0.02 -1.05 1.96 0.00 0.00 0.00 179.25 180.25 2dnm h GLN 69 N 0.00 0.00 0.00 0.00 4.20 -1.39 -3.15 115.11 114.78 2dnm h GLN 69 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2dnm h GLN 69 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2dnm h GLN 69 CO 0.00 0.71 -0.34 -0.44 -0.67 0.00 0.00 178.83 178.09 2dnm h ASP 70 N 0.00 0.00 -0.92 1.46 5.19 -1.16 -3.23 116.42 117.76 2dnm h ASP 70 Ca -0.07 -0.80 0.12 0.00 -0.62 0.00 0.00 57.03 55.65 2dnm h ASP 70 Cb 1.70 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 41.12 2dnm h ASP 70 CO 0.10 1.10 0.55 0.00 -3.12 0.00 0.00 179.24 177.86 2dnm h ALA 71 N -0.20 1.38 -0.04 3.45 0.00 -1.31 -1.23 119.26 121.31 2dnm h ALA 71 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dnm h ALA 71 Cb 1.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dnm h ALA 71 CO -0.06 0.11 0.00 -1.91 0.00 0.00 0.00 179.25 177.40 2dnm n GLU 72 N -4.71 0.00 -0.41 0.00 2.13 -1.19 -0.41 120.64 116.05 2dnm n GLU 72 Ca 0.17 0.51 0.34 0.00 0.66 0.00 0.00 57.16 58.84 2dnm n GLU 72 Cb 0.36 -1.49 0.65 0.00 0.27 0.00 0.00 31.44 31.22 2dnm n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dnm h ALA 73 N -1.98 2.80 0.30 4.31 0.00 -1.55 0.58 119.26 123.72 2dnm h ALA 73 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2dnm h ALA 73 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dnm h ALA 73 CO 0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 179.25 177.82 2dnm h ALA 74 N 1.50 -0.41 -0.01 0.00 0.00 -0.99 -3.40 119.26 115.95 2dnm h ALA 74 Ca 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2dnm h ALA 74 Cb 2.30 0.16 0.00 0.00 0.00 0.00 0.00 17.79 20.25 2dnm h ALA 74 CO -0.24 -0.49 0.00 -1.33 0.00 0.00 0.00 179.25 177.19 2dnm n MET 75 N -5.08 0.00 -1.09 0.00 2.00 0.45 -4.53 117.12 108.86 2dnm n MET 75 Ca -0.09 0.50 -0.29 0.00 0.00 0.00 0.00 57.70 57.82 2dnm n MET 75 Cb 0.27 -1.11 -0.11 0.00 0.00 0.00 0.00 33.22 32.26 2dnm n MET 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2dnm n ASP 76 N -1.99 0.15 0.00 7.83 2.03 0.18 0.70 116.55 125.45 2dnm n ASP 76 Ca 0.00 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2dnm n ASP 76 Cb 0.00 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 2dnm n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dnm n GLY 77 N 4.68 1.72 3.65 0.27 0.00 -1.26 -4.74 105.19 109.51 2dnm n GLY 77 Ca 0.48 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.29 2dnm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnm n ALA 78 N -1.03 1.04 -3.94 4.61 0.00 0.22 -5.08 120.51 116.32 2dnm n ALA 78 Ca 0.00 -2.02 -0.33 0.00 0.00 0.00 0.00 53.44 51.09 2dnm n ALA 78 Cb 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 19.45 19.95 2dnm n ALA 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2dnm s GLU 79 N -4.36 2.65 -0.08 0.00 2.12 -1.26 -4.36 118.70 113.41 2dnm s GLU 79 Ca 0.48 -1.08 -0.17 0.00 0.36 0.00 0.00 54.97 54.56 2dnm s GLU 79 Cb -0.04 -2.85 0.04 0.00 0.26 0.00 0.00 34.13 31.54 2dnm s GLU 79 CO 0.30 -0.42 0.41 -0.51 -0.54 0.00 0.00 175.26 174.50 2dnm s LEU 80 N 1.23 0.45 -1.59 2.70 1.43 -0.67 -4.92 118.68 117.33 2dnm s LEU 80 Ca -0.02 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 2dnm s LEU 80 Cb -0.17 1.51 0.10 0.00 0.03 0.00 0.00 46.19 47.66 2dnm s LEU 80 CO -0.07 -0.33 0.70 -0.90 0.23 0.00 0.00 176.35 175.98 2dnm n ASP 81 N 1.94 -2.59 -2.28 2.29 5.75 -1.26 0.28 116.55 120.69 2dnm n ASP 81 Ca -0.17 -0.98 -0.12 0.00 -0.01 0.00 0.00 54.79 53.51 2dnm n ASP 81 Cb 0.57 -3.01 -0.01 0.00 -1.03 0.00 0.00 41.12 37.63 2dnm n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dnm n GLY 82 N -1.63 -0.25 2.78 6.12 0.00 -1.26 -4.89 105.19 106.06 2dnm n GLY 82 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 2dnm n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dnm n ARG 83 N -2.65 0.53 -3.91 1.61 5.12 0.14 -5.12 116.66 112.39 2dnm n ARG 83 Ca -0.14 -2.43 -0.31 0.00 -1.93 0.00 0.00 57.85 53.04 2dnm n ARG 83 Cb 0.58 2.25 -0.13 0.00 -1.16 0.00 0.00 32.46 34.00 2dnm n ARG 83 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2dnm s GLU 84 N -2.77 2.14 0.25 5.56 2.12 -1.26 -1.66 118.70 123.08 2dnm s GLU 84 Ca 0.26 -2.71 -0.30 0.00 0.36 0.00 0.00 54.97 52.58 2dnm s GLU 84 Cb -0.00 -3.40 -0.14 0.00 0.26 0.00 0.00 34.13 30.85 2dnm s GLU 84 CO 0.19 -1.14 1.21 1.28 -0.54 0.00 0.00 175.26 176.26 2dnm n LEU 85 N 3.01 2.35 -4.33 2.70 4.77 -1.26 -4.90 117.00 119.34 2dnm n LEU 85 Ca 0.07 1.16 -0.46 0.00 -0.03 0.00 0.00 56.01 56.76 2dnm n LEU 85 Cb 0.33 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.07 2dnm n LEU 85 CO 0.33 -0.97 0.57 -0.60 -1.33 0.00 0.00 177.39 175.39 2dnm s ARG 86 N -0.93 3.84 -0.88 3.23 3.52 -1.19 -4.04 118.95 122.51 2dnm s ARG 86 Ca 0.65 -2.80 -0.15 0.00 -0.13 0.00 0.00 55.73 53.30 2dnm s ARG 86 Cb -0.71 -4.46 0.20 0.00 -1.56 0.00 0.00 34.95 28.42 2dnm s ARG 86 CO 0.55 -1.27 0.89 0.08 -0.81 0.00 0.00 175.30 174.75 2dnm s VAL 87 N -0.46 5.40 0.16 7.11 1.01 -1.26 -1.86 120.40 130.50 2dnm s VAL 87 Ca 0.23 -2.31 -0.02 0.00 0.00 0.00 0.00 61.98 59.89 2dnm s VAL 87 Cb -0.10 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 2dnm s VAL 87 CO -0.09 -1.17 0.11 0.00 0.00 0.00 0.00 175.10 173.96 2dnm s GLN 88 N 0.75 1.07 0.62 2.72 -2.07 -0.23 -4.03 119.66 118.48 2dnm s GLN 88 Ca 0.23 -1.49 -0.18 0.00 -1.82 0.00 0.00 55.36 52.10 2dnm s GLN 88 Cb -0.09 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 2dnm s GLN 88 CO -0.09 -0.33 1.01 0.28 -1.32 0.00 0.00 175.29 174.83 2dnm n VAL 89 N -0.18 3.96 0.00 3.63 0.31 -1.26 0.85 118.33 125.64 2dnm n VAL 89 Ca -0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2dnm n VAL 89 Cb 0.64 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 2dnm n VAL 89 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dnm n ALA 90 N -1.84 -0.24 -2.64 3.52 0.00 -1.15 -4.43 120.51 113.72 2dnm n ALA 90 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.20 2dnm n ALA 90 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 2dnm n ALA 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2dnm s ARG 91 N -1.88 4.32 0.12 0.00 3.52 -1.26 -4.97 118.95 118.81 2dnm s ARG 91 Ca 0.00 0.59 0.07 0.00 -0.13 0.00 0.00 55.73 56.26 2dnm s ARG 91 Cb 0.00 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 2dnm s ARG 91 CO 0.00 0.24 -0.16 -0.47 -0.81 0.00 0.00 175.30 174.10 2dnm s TYR 92 N 0.31 1.52 0.00 5.12 6.14 -1.26 -5.13 117.35 124.05 2dnm s TYR 92 Ca 0.29 -0.51 0.00 0.00 0.64 0.00 0.00 57.07 57.49 2dnm s TYR 92 Cb -0.16 -0.80 0.00 0.00 0.42 0.00 0.00 41.96 41.42 2dnm s TYR 92 CO 0.14 0.18 0.00 0.41 0.64 0.00 0.00 175.55 176.92 2dnm n GLY 93 N 0.63 -0.86 3.70 8.97 0.00 -1.26 -5.11 105.19 111.26 2dnm n GLY 93 Ca -0.16 -1.19 -0.58 0.00 0.00 0.00 0.00 46.02 44.09 2dnm n GLY 93 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dnm n ARG 94 N -0.61 1.08 -3.92 1.61 1.85 -1.26 -4.92 116.66 110.49 2dnm n ARG 94 Ca 0.00 0.39 -0.31 0.00 -1.00 0.00 0.00 57.85 56.93 2dnm n ARG 94 Cb 0.00 -2.06 -0.13 0.00 -1.05 0.00 0.00 32.46 29.21 2dnm n ARG 94 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2dnm s ARG 95 N 3.29 1.99 0.00 2.89 3.52 -1.26 -5.08 118.95 124.30 2dnm s ARG 95 Ca 0.98 -2.46 0.08 0.00 -0.13 0.00 0.00 55.73 54.19 2dnm s ARG 95 Cb -1.09 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 28.90 2dnm s ARG 95 CO 0.65 -1.09 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.31 2dnm s ASP 96 N 0.12 3.32 0.08 -2.12 1.01 -1.26 -5.05 116.67 112.77 2dnm s ASP 96 Ca 0.16 -0.45 -0.19 0.00 0.71 0.00 0.00 52.55 52.77 2dnm s ASP 96 Cb -0.24 -0.44 -0.06 0.00 1.01 0.00 0.00 42.92 43.19 2dnm s ASP 96 CO -0.02 0.30 1.32 0.25 0.21 0.00 0.00 175.17 177.23 2dnm h LEU 97 N 5.17 -1.13 -1.07 1.23 7.12 -2.06 -3.46 115.31 121.11 2dnm h LEU 97 Ca -0.45 0.15 -0.30 0.00 0.13 0.00 0.00 57.88 57.42 2dnm h LEU 97 Cb 1.13 0.47 0.11 0.00 -0.53 0.00 0.00 40.66 41.85 2dnm h LEU 97 CO 0.47 -0.23 -0.54 -0.24 -0.13 0.00 0.00 178.44 177.77 2dnm n SER 98 N -4.29 -4.64 -3.65 1.25 2.88 -1.26 -5.02 113.62 98.89 2dnm n SER 98 Ca -0.02 -0.43 -0.23 0.00 -1.33 0.00 0.00 58.87 56.86 2dnm n SER 98 Cb 0.20 -4.00 -0.08 0.00 -0.75 0.00 0.00 64.21 59.57 2dnm n SER 98 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dnm s GLY 99 N -3.42 2.56 0.00 0.46 0.00 -1.26 -5.03 107.32 100.63 2dnm s GLY 99 Ca 0.35 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.45 2dnm s GLY 99 CO 0.56 -1.65 1.87 -1.55 0.00 0.00 0.00 173.10 172.33 2dnm n PRO 100 N -0.80 0.95 -1.47 2.90 -0.04 -1.26 -4.90 135.00 130.38 2dnm n PRO 100 Ca 0.01 -0.10 -0.44 0.00 -0.04 0.00 0.00 63.50 62.93 2dnm n PRO 100 Cb 0.63 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.80 2dnm n PRO 100 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dnm n SER 101 N 1.69 0.80 0.05 3.54 7.64 -1.26 -4.79 113.62 121.30 2dnm n SER 101 Ca 0.04 0.16 -0.12 0.00 1.01 0.00 0.00 58.87 59.96 2dnm n SER 101 Cb 0.47 -1.05 -0.06 0.00 -1.01 0.00 0.00 64.21 62.56 2dnm n SER 101 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dnm h SER 102 N 12.81 -0.17 0.00 6.43 0.87 -2.08 -3.54 113.55 127.87 2dnm h SER 102 Ca -0.10 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2dnm h SER 102 Cb 1.32 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2dnm h SER 102 CO 1.29 -0.09 0.00 0.61 -0.53 0.00 0.00 176.83 178.10