#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhm s SER 2 N 0.00 -0.17 -0.52 1.61 0.01 -1.26 -5.11 113.70 108.26 2dhm s SER 2 Ca 0.00 0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.65 2dhm s SER 2 Cb 0.00 0.30 0.13 0.00 0.21 0.00 0.00 66.02 66.67 2dhm s SER 2 CO 0.00 -0.12 0.28 -0.44 0.41 0.00 0.00 173.24 173.37 2dhm s SER 3 N 0.80 4.67 -0.86 2.44 0.01 -1.26 -4.98 113.70 114.52 2dhm s SER 3 Ca -0.06 -2.81 0.01 0.00 1.31 0.00 0.00 55.95 54.40 2dhm s SER 3 Cb -0.07 -1.71 0.33 0.00 0.21 0.00 0.00 66.02 64.78 2dhm s SER 3 CO -0.04 -0.30 1.59 0.61 0.41 0.00 0.00 173.24 175.50 2dhm n GLY 4 N 3.44 5.93 3.32 3.44 0.00 -1.26 -4.97 105.19 115.09 2dhm n GLY 4 Ca 0.05 -2.63 -0.14 0.00 0.00 0.00 0.00 46.02 43.30 2dhm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhm s SER 5 N -1.98 -0.31 -0.23 1.61 1.04 -1.26 -5.17 113.70 107.39 2dhm s SER 5 Ca 0.44 0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.76 2dhm s SER 5 Cb 0.26 0.40 0.12 0.00 0.10 0.00 0.00 66.02 66.89 2dhm s SER 5 CO -0.17 -0.57 0.98 -0.55 0.98 0.00 0.00 173.24 173.91 2dhm s SER 6 N -1.59 -0.47 -0.33 7.02 0.15 -1.26 -5.13 113.70 112.10 2dhm s SER 6 Ca -0.10 0.78 0.01 0.00 0.70 0.00 0.00 55.95 57.34 2dhm s SER 6 Cb -0.02 0.75 0.19 0.00 -1.71 0.00 0.00 66.02 65.23 2dhm s SER 6 CO 0.03 -0.24 0.76 -0.83 1.20 0.00 0.00 173.24 174.16 2dhm s GLY 7 N -0.20 -1.23 -1.63 9.45 0.00 -1.26 -4.95 107.32 107.50 2dhm s GLY 7 Ca 0.01 1.12 -0.19 0.00 0.00 0.00 0.00 44.72 45.66 2dhm s GLY 7 CO -0.03 3.86 0.66 1.03 0.00 0.00 0.00 173.10 178.62 2dhm n MET 8 N 4.89 -2.40 -2.56 2.90 0.00 -1.26 -4.83 117.12 113.85 2dhm n MET 8 Ca 0.08 0.29 -0.41 0.00 0.00 0.00 0.00 57.70 57.65 2dhm n MET 8 Cb 0.57 -4.96 -0.03 0.00 0.00 0.00 0.00 33.22 28.79 2dhm n MET 8 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2dhm s MET 9 N -6.84 3.19 0.22 0.03 1.00 -1.26 -4.87 119.30 110.78 2dhm s MET 9 Ca 0.70 -0.26 -0.08 0.00 0.00 0.00 0.00 55.69 56.05 2dhm s MET 9 Cb -0.39 -4.18 0.19 0.00 0.00 0.00 0.00 34.83 30.45 2dhm s MET 9 CO 0.87 -2.13 1.86 0.82 0.00 0.00 0.00 175.02 176.44 2dhm h ILE 10 N 6.03 1.24 -1.09 2.53 5.03 -1.99 -2.33 117.51 126.92 2dhm h ILE 10 Ca -0.28 -0.53 0.30 0.00 -0.12 0.00 0.00 64.86 64.23 2dhm h ILE 10 Cb 1.05 0.05 -0.11 0.00 -3.03 0.00 0.00 36.82 34.79 2dhm h ILE 10 CO 1.27 0.25 0.69 0.08 -0.68 0.00 0.00 178.15 179.77 2dhm h ARG 11 N 1.17 0.33 0.35 2.37 0.11 -1.99 -1.36 114.38 115.35 2dhm h ARG 11 Ca 0.30 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.35 2dhm h ARG 11 Cb -0.04 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 30.97 2dhm h ARG 11 CO -0.06 0.22 -0.17 0.93 0.10 0.00 0.00 179.97 180.99 2dhm h GLU 12 N 0.33 -0.46 -1.13 0.08 5.08 -1.83 -2.52 114.58 114.14 2dhm h GLU 12 Ca 0.66 0.03 0.31 0.00 -1.00 0.00 0.00 59.36 59.36 2dhm h GLU 12 Cb 1.72 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 31.00 2dhm h GLU 12 CO -0.36 -0.30 0.76 0.00 -1.00 0.00 0.00 179.01 178.11 2dhm h ARG 13 N -0.49 0.20 0.51 2.33 -0.00 -1.45 -1.05 114.38 114.42 2dhm h ARG 13 Ca -0.05 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.40 2dhm h ARG 13 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.29 2dhm h ARG 13 CO 0.08 0.13 -0.28 0.82 0.00 0.00 0.00 179.97 180.72 2dhm h ILE 14 N 0.20 0.00 0.13 2.04 2.04 -1.06 -3.03 117.51 117.83 2dhm h ILE 14 Ca 0.60 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.47 2dhm h ILE 14 Cb 1.92 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 2dhm h ILE 14 CO -0.18 0.00 -0.21 -0.33 0.00 0.00 0.00 178.15 177.42 2dhm h GLU 15 N -0.74 -0.40 -1.14 2.37 5.08 -0.90 -1.86 114.58 116.99 2dhm h GLU 15 Ca -0.07 0.03 0.38 0.00 -1.00 0.00 0.00 59.36 58.70 2dhm h GLU 15 Cb 0.58 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.81 2dhm h GLU 15 CO 0.09 -0.26 0.74 0.39 -1.00 0.00 0.00 179.01 178.97 2dhm n GLU 16 N -5.34 -0.02 -0.02 2.33 1.02 -0.48 -0.88 120.64 117.25 2dhm n GLU 16 Ca -0.07 0.97 -0.01 0.00 -0.02 0.00 0.00 57.16 58.03 2dhm n GLU 16 Cb 0.25 -1.94 -0.00 0.00 -0.02 0.00 0.00 31.44 29.73 2dhm n GLU 16 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2dhm h LYS 17 N 0.00 0.00 -1.16 3.49 1.57 -1.23 -3.36 116.57 115.88 2dhm h LYS 17 Ca 0.70 0.00 0.39 0.00 -1.87 0.00 0.00 60.65 59.86 2dhm h LYS 17 Cb 2.31 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.52 2dhm h LYS 17 CO -0.32 0.00 0.76 1.28 -0.57 0.00 0.00 179.45 180.60 2dhm n LEU 18 N -2.93 0.14 -0.05 2.94 4.77 -0.28 -0.07 117.00 121.52 2dhm n LEU 18 Ca -0.01 1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 56.89 2dhm n LEU 18 Cb 0.03 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 2dhm n LEU 18 CO 0.01 -1.13 0.50 0.03 -1.33 0.00 0.00 177.39 175.48 2dhm h ARG 19 N 0.00 -0.45 0.00 3.23 3.08 -1.15 -1.14 114.38 117.95 2dhm h ARG 19 Ca 0.70 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.77 2dhm h ARG 19 Cb 2.35 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 32.50 2dhm h ARG 19 CO -0.31 -0.30 -0.86 0.00 -1.07 0.00 0.00 179.97 177.43 2dhm h ALA 20 N -0.34 0.59 -1.01 0.04 0.00 -0.67 -0.37 119.26 117.49 2dhm h ALA 20 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dhm h ALA 20 Cb 0.58 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2dhm h ALA 20 CO -0.44 0.07 0.66 0.00 0.00 0.00 0.00 179.25 179.54 2dhm h ALA 21 N 1.95 1.31 0.00 0.00 0.00 -0.13 -3.39 119.26 119.01 2dhm h ALA 21 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dhm h ALA 21 Cb 1.04 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dhm h ALA 21 CO 0.00 0.60 -0.31 1.19 0.00 0.00 0.00 179.25 180.73 2dhm n PHE 22 N -4.42 0.00 -2.32 0.00 3.72 -0.47 -5.02 117.46 108.96 2dhm n PHE 22 Ca 0.13 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.48 2dhm n PHE 22 Cb 0.06 0.12 0.02 0.00 -0.94 0.00 0.00 39.48 38.75 2dhm n PHE 22 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2dhm n GLN 23 N -2.10 -1.62 0.00 -1.08 6.02 -0.15 -5.06 117.38 113.39 2dhm n GLN 23 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2dhm n GLN 23 Cb 0.15 -3.31 0.00 0.00 1.02 0.00 0.00 30.24 28.11 2dhm n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2dhm n PRO 24 N -1.93 -0.65 -0.10 -1.09 -0.04 -1.26 -5.01 135.00 124.92 2dhm n PRO 24 Ca -0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 2dhm n PRO 24 Cb 0.55 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.85 2dhm n PRO 24 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dhm n VAL 25 N -2.14 1.33 -4.76 0.52 3.14 -1.23 -4.97 118.33 110.21 2dhm n VAL 25 Ca 0.00 -0.83 -0.28 0.00 -2.96 0.00 0.00 64.34 60.27 2dhm n VAL 25 Cb 0.00 -0.47 -0.14 0.00 -1.06 0.00 0.00 33.84 32.17 2dhm n VAL 25 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 2dhm s PHE 26 N -2.49 2.06 -0.27 1.45 5.36 -1.26 -5.02 117.98 117.81 2dhm s PHE 26 Ca -0.10 -0.39 -0.09 0.00 -0.96 0.00 0.00 56.93 55.39 2dhm s PHE 26 Cb 0.06 -1.23 0.12 0.00 -0.34 0.00 0.00 43.02 41.63 2dhm s PHE 26 CO 0.81 0.11 0.57 -1.17 -1.46 0.00 0.00 175.22 174.08 2dhm s LEU 27 N -1.22 -0.98 -0.27 6.12 2.96 -1.26 -3.46 118.68 120.57 2dhm s LEU 27 Ca 0.10 1.37 -0.15 0.00 -0.22 0.00 0.00 54.13 55.22 2dhm s LEU 27 Cb -0.09 1.98 0.08 0.00 0.50 0.00 0.00 46.19 48.66 2dhm s LEU 27 CO 0.02 -0.22 0.66 -0.70 -1.32 0.00 0.00 176.35 174.79 2dhm s GLU 28 N 2.80 0.68 0.14 1.98 2.56 -0.97 -5.02 118.70 120.87 2dhm s GLU 28 Ca -0.04 1.20 0.09 0.00 0.00 0.00 0.00 54.97 56.22 2dhm s GLU 28 Cb -0.12 0.15 -0.04 0.00 2.00 0.00 0.00 34.13 36.12 2dhm s GLU 28 CO -0.17 -0.15 -0.15 0.08 -0.56 0.00 0.00 175.26 174.31 2dhm s VAL 29 N 1.66 2.98 -0.32 3.70 1.01 -1.26 -0.38 120.40 127.78 2dhm s VAL 29 Ca -0.10 -1.54 0.03 0.00 0.00 0.00 0.00 61.98 60.37 2dhm s VAL 29 Cb -0.06 -2.41 0.10 0.00 0.00 0.00 0.00 36.38 34.01 2dhm s VAL 29 CO -0.19 0.03 0.05 -0.69 0.00 0.00 0.00 175.10 174.30 2dhm s VAL 30 N -1.34 1.95 -0.16 2.92 1.01 0.17 -5.01 120.40 119.94 2dhm s VAL 30 Ca 0.20 -2.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.03 2dhm s VAL 30 Cb -0.10 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2dhm s VAL 30 CO 0.12 -0.56 0.14 -0.62 0.00 0.00 0.00 175.10 174.18 2dhm s ASP 31 N 1.08 6.30 -0.08 3.32 2.15 -1.26 -3.30 116.67 124.88 2dhm s ASP 31 Ca 0.09 0.35 0.02 0.00 0.43 0.00 0.00 52.55 53.43 2dhm s ASP 31 Cb -0.19 -2.08 0.01 0.00 -0.30 0.00 0.00 42.92 40.36 2dhm s ASP 31 CO -0.11 0.28 -0.13 -1.83 -0.17 0.00 0.00 175.17 173.21 2dhm s GLU 32 N -0.26 1.84 -0.40 4.34 -1.05 -1.26 -5.11 118.70 116.79 2dhm s GLU 32 Ca 0.11 -0.45 -0.06 0.00 -0.15 0.00 0.00 54.97 54.43 2dhm s GLU 32 Cb -0.12 -1.54 0.09 0.00 -0.44 0.00 0.00 34.13 32.12 2dhm s GLU 32 CO 0.01 -0.01 0.21 0.45 0.95 0.00 0.00 175.26 176.88 2dhm s SER 33 N 0.79 5.41 -0.31 0.83 0.15 -1.26 -5.02 113.70 114.30 2dhm s SER 33 Ca -0.12 -1.70 -0.02 0.00 0.70 0.00 0.00 55.95 54.82 2dhm s SER 33 Cb -0.15 -1.90 0.10 0.00 -1.71 0.00 0.00 66.02 62.36 2dhm s SER 33 CO 0.02 -0.52 0.11 -0.72 1.20 0.00 0.00 173.24 173.33 2dhm s TYR 34 N 1.30 1.36 -0.03 3.44 1.13 -1.26 -4.95 117.35 118.34 2dhm s TYR 34 Ca 0.04 -1.54 -0.00 0.00 -1.41 0.00 0.00 57.07 54.16 2dhm s TYR 34 Cb -0.23 -1.51 -0.02 0.00 -1.10 0.00 0.00 41.96 39.11 2dhm s TYR 34 CO -0.01 -0.86 -0.03 2.89 -2.51 0.00 0.00 175.55 175.03 2dhm n ARG 35 N 4.92 0.07 -4.00 -3.49 1.85 -1.26 -4.97 116.66 109.77 2dhm n ARG 35 Ca -0.03 0.02 -0.29 0.00 -1.00 0.00 0.00 57.85 56.55 2dhm n ARG 35 Cb 0.42 -0.89 -0.05 0.00 -1.05 0.00 0.00 32.46 30.89 2dhm n ARG 35 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2dhm s HIS 36 N -2.06 3.32 -1.27 2.89 -3.43 -1.26 -4.55 115.29 108.94 2dhm s HIS 36 Ca -0.04 0.12 -0.01 0.00 -0.80 0.00 0.00 55.06 54.33 2dhm s HIS 36 Cb 0.01 -1.65 -0.00 0.00 -1.43 0.00 0.00 32.58 29.51 2dhm s HIS 36 CO 0.06 0.54 0.79 -1.71 -2.00 0.00 0.00 174.74 172.42 2dhm n ASN 37 N 0.16 -1.64 -4.21 7.38 2.85 -1.26 -5.01 115.26 113.53 2dhm n ASN 37 Ca -0.07 -0.77 -0.19 0.00 -0.11 0.00 0.00 54.58 53.44 2dhm n ASN 37 Cb 0.52 -4.37 -0.12 0.00 1.24 0.00 0.00 39.78 37.05 2dhm n ASN 37 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2dhm s VAL 38 N -3.57 1.26 0.00 3.44 -7.23 -1.26 -5.15 120.40 107.88 2dhm s VAL 38 Ca 0.02 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2dhm s VAL 38 Cb -0.01 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.62 2dhm s VAL 38 CO 0.79 -0.29 0.00 -0.81 -0.31 0.00 0.00 175.10 174.48 2dhm n PRO 39 N 0.95 -0.19 -3.70 4.82 -0.04 -1.26 -5.00 135.00 130.58 2dhm n PRO 39 Ca -0.19 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.90 2dhm n PRO 39 Cb 0.55 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 2dhm n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhm s ALA 40 N -2.97 3.60 0.00 0.55 0.00 -1.26 -4.97 121.76 116.70 2dhm s ALA 40 Ca 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 51.96 48.72 2dhm s ALA 40 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2dhm s ALA 40 CO 0.00 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.07 2dhm n GLY 41 N 3.56 0.28 2.73 0.00 0.00 -1.26 -5.14 105.19 105.36 2dhm n GLY 41 Ca 0.08 0.69 -0.28 0.00 0.00 0.00 0.00 46.02 46.50 2dhm n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhm s SER 42 N 0.00 3.30 0.00 1.61 0.15 -1.26 -4.96 113.70 112.54 2dhm s SER 42 Ca 0.00 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.56 2dhm s SER 42 Cb 0.00 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 2dhm s SER 42 CO 0.00 -0.34 0.00 -1.84 1.20 0.00 0.00 173.24 172.26 2dhm n GLU 43 N 4.99 0.00 -3.49 5.44 0.28 -1.26 -5.05 120.64 121.54 2dhm n GLU 43 Ca -0.07 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.83 2dhm n GLU 43 Cb 0.45 -0.55 -0.09 0.00 1.43 0.00 0.00 31.44 32.67 2dhm n GLU 43 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2dhm s SER 44 N -4.69 0.19 -0.33 -1.84 0.01 -1.26 -4.53 113.70 101.26 2dhm s SER 44 Ca 0.00 0.47 0.13 0.00 1.31 0.00 0.00 55.95 57.86 2dhm s SER 44 Cb 0.00 1.07 0.46 0.00 0.21 0.00 0.00 66.02 67.77 2dhm s SER 44 CO 0.00 -0.27 1.10 0.00 0.41 0.00 0.00 173.24 174.47 2dhm n HIS 45 N 5.37 2.21 -3.63 2.43 1.44 -1.26 -5.04 115.22 116.73 2dhm n HIS 45 Ca -0.06 -2.56 -0.11 0.00 -2.01 0.00 0.00 57.72 52.99 2dhm n HIS 45 Cb 0.50 -0.26 -0.07 0.00 0.12 0.00 0.00 29.99 30.28 2dhm n HIS 45 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 2dhm s PHE 46 N -3.53 -0.86 -0.04 -1.40 5.36 -1.26 -4.33 117.98 111.92 2dhm s PHE 46 Ca 0.39 1.92 -0.03 0.00 -0.96 0.00 0.00 56.93 58.25 2dhm s PHE 46 Cb 0.40 0.41 0.02 0.00 -0.34 0.00 0.00 43.02 43.50 2dhm s PHE 46 CO -0.04 -0.42 0.11 0.21 -1.46 0.00 0.00 175.22 173.62 2dhm s LYS 47 N 0.84 0.11 -0.04 10.12 2.20 -1.21 -2.07 119.74 129.69 2dhm s LYS 47 Ca -0.04 0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 2dhm s LYS 47 Cb -0.05 -0.00 0.02 0.00 -1.51 0.00 0.00 37.83 36.29 2dhm s LYS 47 CO -0.07 -0.05 -0.06 0.08 -0.36 0.00 0.00 175.35 174.88 2dhm s VAL 48 N 0.32 0.66 -0.19 4.02 1.01 -1.22 -0.65 120.40 124.35 2dhm s VAL 48 Ca -0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2dhm s VAL 48 Cb -0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2dhm s VAL 48 CO -0.01 0.24 0.01 -0.69 0.00 0.00 0.00 175.10 174.66 2dhm s VAL 49 N 0.73 4.15 -0.21 2.92 1.01 0.48 -2.15 120.40 127.33 2dhm s VAL 49 Ca -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 2dhm s VAL 49 Cb -0.14 -2.87 0.10 0.00 0.00 0.00 0.00 36.38 33.47 2dhm s VAL 49 CO 0.01 0.44 0.26 -0.22 0.00 0.00 0.00 175.10 175.58 2dhm s LEU 50 N 0.82 -0.23 -0.11 3.92 0.20 -1.24 -2.29 118.68 119.75 2dhm s LEU 50 Ca 0.01 -0.10 -0.21 0.00 0.69 0.00 0.00 54.13 54.52 2dhm s LEU 50 Cb -0.14 0.55 -0.04 0.00 -0.43 0.00 0.00 46.19 46.13 2dhm s LEU 50 CO 0.02 -0.32 0.62 -0.69 -0.29 0.00 0.00 176.35 175.70 2dhm s VAL 51 N 2.38 5.08 0.01 1.68 1.01 -1.23 -3.44 120.40 125.89 2dhm s VAL 51 Ca 0.08 1.25 -0.28 0.00 0.00 0.00 0.00 61.98 63.03 2dhm s VAL 51 Cb -0.16 -3.96 0.10 0.00 0.00 0.00 0.00 36.38 32.36 2dhm s VAL 51 CO -0.13 0.24 0.83 -0.44 0.00 0.00 0.00 175.10 175.60 2dhm s SER 52 N 0.83 -0.42 0.25 3.32 0.01 -0.86 -3.52 113.70 113.31 2dhm s SER 52 Ca 0.32 0.07 0.15 0.00 1.31 0.00 0.00 55.95 57.81 2dhm s SER 52 Cb -0.17 0.43 0.04 0.00 0.21 0.00 0.00 66.02 66.53 2dhm s SER 52 CO 0.14 -0.66 1.35 -2.24 0.41 0.00 0.00 173.24 172.23 2dhm h ASP 53 N 2.10 0.00 -0.39 2.44 2.03 -1.96 -3.29 116.42 117.35 2dhm h ASP 53 Ca -0.24 0.00 0.11 0.00 -0.73 0.00 0.00 57.03 56.17 2dhm h ASP 53 Cb 1.24 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.73 2dhm h ASP 53 CO 0.33 0.50 0.68 0.03 -1.03 0.00 0.00 179.24 179.75 2dhm h ARG 54 N 0.00 0.00 -1.50 4.15 2.47 -1.97 0.12 114.38 117.65 2dhm h ARG 54 Ca -0.03 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 58.24 2dhm h ARG 54 Cb 1.40 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.54 2dhm h ARG 54 CO 0.06 0.00 0.55 1.19 0.56 0.00 0.00 179.97 182.33 2dhm n PHE 55 N -3.20 2.01 -0.28 3.04 3.72 -1.24 -4.62 117.46 116.89 2dhm n PHE 55 Ca 0.07 -2.23 0.18 0.00 -0.05 0.00 0.00 57.45 55.42 2dhm n PHE 55 Cb 0.83 -1.15 0.46 0.00 -0.94 0.00 0.00 39.48 38.68 2dhm n PHE 55 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2dhm h THR 56 N 1.20 0.68 0.00 4.37 2.02 -1.04 -3.46 112.91 116.69 2dhm h THR 56 Ca 0.39 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.40 2dhm h THR 56 Cb 0.82 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2dhm h THR 56 CO 1.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 177.60 2dhm n GLY 57 N -1.47 2.39 0.27 2.16 0.00 -1.26 -4.97 105.19 102.31 2dhm n GLY 57 Ca 0.21 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.49 2dhm n GLY 57 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dhm n GLU 58 N -0.33 -0.05 -3.84 1.61 0.28 -1.26 -4.24 120.64 112.81 2dhm n GLU 58 Ca 0.00 1.11 -0.12 0.00 -0.16 0.00 0.00 57.16 57.99 2dhm n GLU 58 Cb 0.00 -2.01 -0.13 0.00 1.43 0.00 0.00 31.44 30.72 2dhm n GLU 58 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2dhm s ARG 59 N -5.22 0.09 -0.01 3.44 1.81 -1.26 -5.08 118.95 112.72 2dhm s ARG 59 Ca -0.07 0.11 -0.10 0.00 -1.72 0.00 0.00 55.73 53.94 2dhm s ARG 59 Cb 0.27 0.04 -0.06 0.00 -0.45 0.00 0.00 34.95 34.75 2dhm s ARG 59 CO 0.63 -0.01 0.62 0.35 -0.68 0.00 0.00 175.30 176.21 2dhm h PHE 60 N 6.06 -0.34 -0.63 -0.53 3.04 -2.03 -3.30 116.94 119.22 2dhm h PHE 60 Ca -0.25 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.75 2dhm h PHE 60 Cb 1.20 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.79 2dhm h PHE 60 CO 0.41 -0.21 0.42 -0.07 -2.02 0.00 0.00 178.31 176.83 2dhm h LEU 61 N -0.68 0.54 -1.35 0.59 4.07 -1.98 -0.80 115.31 115.71 2dhm h LEU 61 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2dhm h LEU 61 Cb 0.28 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2dhm h LEU 61 CO 0.06 0.35 0.48 -1.13 -1.08 0.00 0.00 178.44 177.13 2dhm h ASN 62 N 0.62 0.00 0.01 -0.43 -1.24 -1.99 0.11 115.58 112.67 2dhm h ASN 62 Ca 0.27 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 57.10 2dhm h ASN 62 Cb 0.28 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 2dhm h ASN 62 CO -0.08 0.00 -1.00 0.03 -1.29 0.00 0.00 177.43 175.09 2dhm h ARG 63 N 0.00 0.03 0.36 6.67 3.08 -1.24 -3.36 114.38 119.91 2dhm h ARG 63 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2dhm h ARG 63 Cb 0.97 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2dhm h ARG 63 CO 0.00 1.02 -0.17 0.45 -1.07 0.00 0.00 179.97 180.20 2dhm h HIS 64 N -0.91 -0.44 -1.35 3.04 3.86 -0.98 -2.91 115.15 115.45 2dhm h HIS 64 Ca -0.27 -0.01 0.46 0.00 -1.16 0.00 0.00 60.37 59.39 2dhm h HIS 64 Cb 1.29 0.15 -0.13 0.00 1.06 0.00 0.00 27.41 29.78 2dhm h HIS 64 CO 0.14 -0.14 0.88 2.89 0.86 0.00 0.00 177.93 182.56 2dhm n ARG 65 N -5.20 -0.03 0.04 2.45 1.85 0.17 0.82 116.66 116.75 2dhm n ARG 65 Ca -0.10 1.17 -0.12 0.00 -1.00 0.00 0.00 57.85 57.80 2dhm n ARG 65 Cb 0.26 -2.34 -0.09 0.00 -1.05 0.00 0.00 32.46 29.25 2dhm n ARG 65 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 2dhm h MET 66 N 0.00 -0.14 0.47 2.89 2.86 -1.66 -2.56 114.93 116.79 2dhm h MET 66 Ca 0.84 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.46 2dhm h MET 66 Cb 2.76 0.03 0.00 0.00 0.06 0.00 0.00 31.60 34.46 2dhm h MET 66 CO -0.40 0.32 -0.23 0.82 1.06 0.00 0.00 176.91 178.48 2dhm h ILE 67 N -0.67 0.00 -0.20 -1.22 1.08 0.50 -3.06 117.51 113.94 2dhm h ILE 67 Ca -0.01 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 2dhm h ILE 67 Cb 0.52 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 2dhm h ILE 67 CO 0.02 0.00 -0.21 1.88 -0.69 0.00 0.00 178.15 179.16 2dhm h TYR 68 N -0.82 -0.64 -0.78 1.37 -1.99 -0.82 0.45 116.97 113.74 2dhm h TYR 68 Ca -0.06 0.03 0.23 0.00 2.00 0.00 0.00 58.73 60.93 2dhm h TYR 68 Cb 0.49 0.31 -0.14 0.00 2.00 0.00 0.00 36.73 39.38 2dhm h TYR 68 CO 0.06 -0.17 0.09 0.45 -0.00 0.00 0.00 178.16 178.59 2dhm n SER 69 N -3.71 -0.03 -0.18 3.88 2.88 -0.96 0.23 113.62 115.72 2dhm n SER 69 Ca -0.01 1.32 -0.08 0.00 -1.33 0.00 0.00 58.87 58.77 2dhm n SER 69 Cb 0.12 -0.51 0.01 0.00 -0.75 0.00 0.00 64.21 63.08 2dhm n SER 69 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dhm h THR 70 N 0.00 1.22 -0.68 2.46 2.02 -0.84 -3.09 112.91 114.00 2dhm h THR 70 Ca 0.51 -0.70 -0.47 0.00 0.77 0.00 0.00 66.41 66.52 2dhm h THR 70 Cb 1.11 0.71 -0.31 0.00 -1.74 0.00 0.00 68.15 67.92 2dhm h THR 70 CO -0.71 0.26 -0.26 0.18 0.37 0.00 0.00 175.52 175.36 2dhm n LEU 71 N -4.52 5.26 -0.30 2.58 4.77 0.60 -4.74 117.00 120.65 2dhm n LEU 71 Ca 0.02 -4.39 0.02 0.00 -0.03 0.00 0.00 56.01 51.63 2dhm n LEU 71 Cb 0.17 -0.56 0.22 0.00 -2.33 0.00 0.00 43.42 40.92 2dhm n LEU 71 CO 0.38 1.75 1.26 0.00 -1.33 0.00 0.00 177.39 179.44 2dhm h ALA 72 N 1.81 1.47 0.00 -1.18 0.00 0.29 -1.57 119.26 120.09 2dhm h ALA 72 Ca 0.37 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 2dhm h ALA 72 Cb 1.39 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2dhm h ALA 72 CO 0.83 0.43 -1.00 0.93 0.00 0.00 0.00 179.25 180.44 2dhm h GLU 73 N 1.08 0.00 -0.67 0.00 5.08 -1.85 -3.25 114.58 114.97 2dhm h GLU 73 Ca 0.37 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.82 2dhm h GLU 73 Cb 0.09 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.23 2dhm h GLU 73 CO -0.12 0.68 -0.45 0.93 -1.00 0.00 0.00 179.01 179.05 2dhm h GLU 74 N -1.00 -0.18 0.09 2.33 4.39 -1.88 -0.81 114.58 117.52 2dhm h GLU 74 Ca -0.23 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.49 2dhm h GLU 74 Cb 1.04 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 2dhm h GLU 74 CO -0.14 -0.12 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.38 2dhm h LEU 75 N -0.18 -0.39 -1.61 1.33 3.38 -1.49 -1.22 115.31 115.12 2dhm h LEU 75 Ca 0.19 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.39 2dhm h LEU 75 Cb 0.55 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2dhm h LEU 75 CO -0.75 -0.21 0.73 -1.28 0.09 0.00 0.00 178.44 177.03 2dhm h SER 76 N -0.28 0.00 0.00 -0.43 0.87 -1.23 -0.87 113.55 111.61 2dhm h SER 76 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2dhm h SER 76 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2dhm h SER 76 CO -0.08 0.00 0.00 0.41 -0.53 0.00 0.00 176.83 176.63 2dhm n THR 77 N -3.47 0.00 0.00 2.23 -1.04 -0.46 -4.64 114.28 106.89 2dhm n THR 77 Ca 0.13 1.31 0.00 0.00 -2.04 0.00 0.00 64.05 63.45 2dhm n THR 77 Cb 0.95 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2dhm n THR 77 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2dhm n THR 78 N -1.91 0.00 -2.08 12.58 5.66 -1.03 -5.07 114.28 122.44 2dhm n THR 78 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 2dhm n THR 78 Cb 0.00 -0.48 -0.02 0.00 -1.55 0.00 0.00 70.33 68.28 2dhm n THR 78 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2dhm s VAL 79 N -1.51 2.64 0.08 1.08 1.01 -0.36 -4.95 120.40 118.39 2dhm s VAL 79 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2dhm s VAL 79 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2dhm s VAL 79 CO 0.00 0.15 0.00 1.57 0.00 0.00 0.00 175.10 176.82 2dhm n HIS 80 N 0.79 -0.22 -3.73 5.22 -0.00 -1.26 -4.13 115.22 111.88 2dhm n HIS 80 Ca 0.00 0.04 -0.38 0.00 0.46 0.00 0.00 57.72 57.84 2dhm n HIS 80 Cb 0.41 0.07 -0.12 0.00 -0.12 0.00 0.00 29.99 30.24 2dhm n HIS 80 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2dhm s ALA 81 N -2.00 3.09 -0.17 1.57 0.00 -1.26 -5.06 121.76 117.93 2dhm s ALA 81 Ca 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 51.96 50.06 2dhm s ALA 81 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 2dhm s ALA 81 CO 0.00 -1.42 -0.05 -1.17 0.00 0.00 0.00 175.76 173.11 2dhm s LEU 82 N 1.39 3.05 -1.04 0.00 2.96 -1.26 -4.22 118.68 119.56 2dhm s LEU 82 Ca -0.00 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.48 2dhm s LEU 82 Cb -0.20 -1.74 0.11 0.00 0.50 0.00 0.00 46.19 44.85 2dhm s LEU 82 CO 0.02 0.11 1.33 0.00 -1.32 0.00 0.00 176.35 176.49 2dhm s ALA 83 N 0.70 3.29 -0.51 5.97 0.00 -0.88 -4.97 121.76 125.36 2dhm s ALA 83 Ca -0.03 -2.74 -0.28 0.00 0.00 0.00 0.00 51.96 48.92 2dhm s ALA 83 Cb -0.15 -4.25 -0.01 0.00 0.00 0.00 0.00 23.12 18.71 2dhm s ALA 83 CO 0.02 -3.16 1.68 -0.51 0.00 0.00 0.00 175.76 173.80 2dhm s LEU 84 N 3.29 3.40 -1.04 0.00 1.43 -1.26 -3.39 118.68 121.11 2dhm s LEU 84 Ca 0.40 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 54.04 2dhm s LEU 84 Cb -0.02 -3.01 0.26 0.00 0.03 0.00 0.00 46.19 43.44 2dhm s LEU 84 CO -0.06 -1.94 1.00 -1.00 0.23 0.00 0.00 176.35 174.58 2dhm s HIS 85 N 7.36 4.15 0.10 0.29 3.76 -0.91 -5.02 115.29 125.00 2dhm s HIS 85 Ca 0.66 -2.80 -0.14 0.00 -0.15 0.00 0.00 55.06 52.63 2dhm s HIS 85 Cb -0.15 -3.64 -0.06 0.00 1.11 0.00 0.00 32.58 29.84 2dhm s HIS 85 CO 0.26 -0.88 0.49 0.95 -0.85 0.00 0.00 174.74 174.71 2dhm s THR 86 N -1.28 4.94 0.00 1.30 -4.23 -1.26 -3.72 115.64 111.39 2dhm s THR 86 Ca 0.29 0.77 0.03 0.00 -1.18 0.00 0.00 61.69 61.60 2dhm s THR 86 Cb -0.09 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 2dhm s THR 86 CO -0.09 0.34 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.91 2dhm s TYR 87 N -1.35 0.97 0.25 3.99 1.51 -1.22 -5.00 117.35 116.50 2dhm s TYR 87 Ca 0.33 -0.22 -0.25 0.00 -1.01 0.00 0.00 57.07 55.92 2dhm s TYR 87 Cb -0.15 -0.61 -0.09 0.00 -0.11 0.00 0.00 41.96 41.00 2dhm s TYR 87 CO 0.18 -0.01 0.85 0.95 -1.11 0.00 0.00 175.55 176.41 2dhm s THR 88 N -0.40 4.32 0.10 -0.71 -4.23 -1.26 -2.03 115.64 111.43 2dhm s THR 88 Ca 0.03 1.69 -0.20 0.00 -1.18 0.00 0.00 61.69 62.03 2dhm s THR 88 Cb -0.05 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.71 2dhm s THR 88 CO -0.00 0.28 1.05 -0.38 -0.54 0.00 0.00 174.62 175.04 2dhm n ILE 89 N 0.93 -0.45 0.08 2.99 -0.00 -1.26 -0.63 119.36 121.03 2dhm n ILE 89 Ca -0.01 1.65 -0.09 0.00 -0.00 0.00 0.00 62.75 64.30 2dhm n ILE 89 Cb 0.50 -2.05 -0.05 0.00 -0.00 0.00 0.00 39.64 38.03 2dhm n ILE 89 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2dhm h LYS 90 N 0.00 -0.41 -1.03 0.38 6.56 -1.97 0.18 116.57 120.28 2dhm h LYS 90 Ca 0.10 0.03 0.41 0.00 -1.06 0.00 0.00 60.65 60.13 2dhm h LYS 90 Cb 0.27 0.09 -0.17 0.00 -0.57 0.00 0.00 32.23 31.85 2dhm h LYS 90 CO -0.62 -0.28 0.57 0.93 -2.06 0.00 0.00 179.45 178.00 2dhm h GLU 91 N -0.43 0.05 -0.19 3.15 4.39 -1.39 1.06 114.58 121.22 2dhm h GLU 91 Ca -0.01 -0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 2dhm h GLU 91 Cb 0.41 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2dhm h GLU 91 CO -0.12 0.03 -0.67 2.35 -1.16 0.00 0.00 179.01 179.45 2dhm h TRP 92 N 0.05 1.04 -0.48 4.33 -0.00 0.12 0.82 115.95 121.83 2dhm h TRP 92 Ca 0.83 -0.43 0.14 0.00 -0.00 0.00 0.00 58.89 59.43 2dhm h TRP 92 Cb 2.21 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 31.18 2dhm h TRP 92 CO -0.01 1.25 0.86 0.93 -0.00 0.00 0.00 178.44 181.47 2dhm h GLU 93 N 0.53 0.00 0.00 2.65 5.08 0.42 -3.27 114.58 119.99 2dhm h GLU 93 Ca -0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2dhm h GLU 93 Cb 1.29 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 2dhm h GLU 93 CO 0.14 0.00 0.04 0.41 -1.00 0.00 0.00 179.01 178.60 2dhm n GLY 94 N -1.54 -1.93 0.22 -3.84 0.00 -1.16 -5.03 105.19 91.92 2dhm n GLY 94 Ca 0.10 1.08 -0.00 0.00 0.00 0.00 0.00 46.02 47.20 2dhm n GLY 94 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2dhm h LEU 95 N 2.85 -0.26 -4.49 0.99 -0.00 -0.89 -0.88 115.31 112.64 2dhm h LEU 95 Ca -0.27 0.14 -0.67 0.00 -0.00 0.00 0.00 57.88 57.08 2dhm h LEU 95 Cb 1.23 0.25 -0.26 0.00 -0.00 0.00 0.00 40.66 41.89 2dhm h LEU 95 CO -0.21 -0.10 0.87 1.67 -0.00 0.00 0.00 178.44 180.67 2dhm n GLN 96 N -5.26 2.62 -4.36 0.17 7.27 -1.26 -4.94 117.38 111.62 2dhm n GLN 96 Ca 0.08 -3.15 -0.18 0.00 0.07 0.00 0.00 57.00 53.81 2dhm n GLN 96 Cb 0.32 -2.21 -0.10 0.00 2.41 0.00 0.00 30.24 30.66 2dhm n GLN 96 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2dhm s ASP 97 N -1.07 1.75 -0.20 1.69 -1.08 -0.33 -5.14 116.67 112.28 2dhm s ASP 97 Ca 0.56 -1.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.28 2dhm s ASP 97 Cb 0.44 0.04 0.05 0.00 -1.46 0.00 0.00 42.92 41.99 2dhm s ASP 97 CO -0.23 -0.61 -0.08 0.42 0.52 0.00 0.00 175.17 175.20 2dhm s THR 98 N -3.50 1.47 -0.09 1.71 -4.23 -1.26 -5.03 115.64 104.70 2dhm s THR 98 Ca 0.34 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 2dhm s THR 98 Cb 0.07 -1.62 0.01 0.00 1.34 0.00 0.00 72.50 72.30 2dhm s THR 98 CO 0.12 0.09 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.46 2dhm s VAL 99 N 1.46 1.36 0.70 2.29 1.01 -1.26 -5.14 120.40 120.81 2dhm s VAL 99 Ca -0.02 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 2dhm s VAL 99 Cb -0.17 -1.25 0.06 0.00 0.00 0.00 0.00 36.38 35.02 2dhm s VAL 99 CO -0.08 0.41 1.01 0.12 0.00 0.00 0.00 175.10 176.56 2dhm s PHE 100 N 0.93 2.95 0.07 5.22 5.36 -1.26 -5.01 117.98 126.24 2dhm s PHE 100 Ca -0.08 0.47 -0.21 0.00 -0.96 0.00 0.00 56.93 56.14 2dhm s PHE 100 Cb -0.15 -3.16 -0.12 0.00 -0.34 0.00 0.00 43.02 39.25 2dhm s PHE 100 CO -0.00 -1.37 1.54 0.00 -1.46 0.00 0.00 175.22 173.93 2dhm h ALA 101 N -0.57 0.20 -2.69 11.12 0.00 -2.08 -3.45 119.26 121.78 2dhm h ALA 101 Ca -0.44 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 2dhm h ALA 101 Cb 1.31 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.82 2dhm h ALA 101 CO 0.60 -0.15 -0.26 -1.54 0.00 0.00 0.00 179.25 177.90 2dhm s SER 102 N -5.67 -0.33 0.78 0.00 1.04 -1.26 -5.17 113.70 103.10 2dhm s SER 102 Ca -0.14 0.51 -0.11 0.00 0.48 0.00 0.00 55.95 56.70 2dhm s SER 102 Cb 0.06 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.84 2dhm s SER 102 CO 0.71 -0.26 1.09 -2.16 0.98 0.00 0.00 173.24 173.60 2dhm s PRO 103 N -0.39 2.18 0.44 4.02 0.04 -1.26 -5.05 135.00 134.98 2dhm s PRO 103 Ca -0.05 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 2dhm s PRO 103 Cb -0.03 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.72 2dhm s PRO 103 CO 0.02 -1.69 0.39 -0.35 0.04 0.00 0.00 177.00 175.41 2dhm n PRO 104 N -3.55 -1.79 -3.92 0.56 -0.04 -1.26 -4.33 135.00 120.67 2dhm n PRO 104 Ca 0.09 -0.62 -0.27 0.00 -0.04 0.00 0.00 63.50 62.66 2dhm n PRO 104 Cb 0.53 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 2dhm n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhm n ARG 106 N -4.41 1.55 0.00 0.00 3.00 -1.26 -5.30 116.66 110.23 2dhm n ARG 106 Ca -0.20 0.56 0.00 0.00 -0.01 0.00 0.00 57.85 58.20 2dhm n ARG 106 Cb 0.63 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.84 2dhm n ARG 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04