#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 0.37 -0.03 1.61 0.15 -1.26 -5.15 113.70 109.39 2dhm s SER 2 Ca 0.00 0.38 -0.15 0.00 0.70 0.00 0.00 55.95 56.89 2dhm s SER 2 Cb 0.00 0.94 0.02 0.00 -1.71 0.00 0.00 66.02 65.27 2dhm s SER 2 CO 0.00 -0.28 0.32 -0.44 1.20 0.00 0.00 173.24 174.04 2dhm s SER 3 N 2.49 -0.22 0.45 5.45 0.01 -1.26 -5.18 113.70 115.45 2dhm s SER 3 Ca 0.06 0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.52 2dhm s SER 3 Cb -0.14 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 2dhm s SER 3 CO -0.13 -0.41 0.09 -0.83 0.41 0.00 0.00 173.24 172.37 2dhm s GLY 4 N -1.14 2.80 -0.07 3.44 0.00 -1.26 -5.16 107.32 105.93 2dhm s GLY 4 Ca -0.12 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 43.68 2dhm s GLY 4 CO 0.04 -1.96 0.17 -0.45 0.00 0.00 0.00 173.10 170.90 2dhm s SER 5 N -3.71 -0.16 0.12 1.64 0.15 -1.26 -5.16 113.70 105.31 2dhm s SER 5 Ca 0.16 0.35 0.07 0.00 0.70 0.00 0.00 55.95 57.23 2dhm s SER 5 Cb 0.02 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 2dhm s SER 5 CO 0.10 -0.10 -0.17 -0.55 1.20 0.00 0.00 173.24 173.72 2dhm s SER 6 N 0.61 2.29 -0.27 5.45 0.15 -1.26 -5.14 113.70 115.53 2dhm s SER 6 Ca -0.04 -0.75 -0.06 0.00 0.70 0.00 0.00 55.95 55.79 2dhm s SER 6 Cb -0.06 -0.11 0.14 0.00 -1.71 0.00 0.00 66.02 64.28 2dhm s SER 6 CO -0.03 -0.04 0.55 -0.83 1.20 0.00 0.00 173.24 174.09 2dhm s GLY 7 N -2.22 -0.69 -0.28 9.45 0.00 -1.26 -5.03 107.32 107.28 2dhm s GLY 7 Ca 0.08 1.84 0.18 0.00 0.00 0.00 0.00 44.72 46.83 2dhm s GLY 7 CO 0.04 2.97 1.11 1.03 0.00 0.00 0.00 173.10 178.26 2dhm n MET 8 N 5.42 2.17 -3.80 2.90 0.00 -1.26 -5.08 117.12 117.48 2dhm n MET 8 Ca -0.07 -3.68 -0.21 0.00 0.00 0.00 0.00 57.70 53.75 2dhm n MET 8 Cb 0.50 -1.75 -0.03 0.00 0.00 0.00 0.00 33.22 31.94 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 -3.68 2.95 -0.02 0.03 1.00 -1.26 -5.08 119.30 113.24 2dhm s MET 9 Ca 0.33 -1.11 -0.02 0.00 0.00 0.00 0.00 55.69 54.89 2dhm s MET 9 Cb 0.36 -2.63 -0.01 0.00 0.00 0.00 0.00 34.83 32.55 2dhm s MET 9 CO -0.02 0.19 0.17 0.82 0.00 0.00 0.00 175.02 176.17 2dhm h ILE 10 N 1.20 0.00 -0.80 2.53 1.08 -1.99 -3.28 117.51 116.24 2dhm h ILE 10 Ca -0.47 -0.25 0.15 0.00 -0.39 0.00 0.00 64.86 63.90 2dhm h ILE 10 Cb 1.25 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.85 2dhm h ILE 10 CO 0.58 0.00 -0.24 -2.11 -0.69 0.00 0.00 178.15 175.69 2dhm n ARG 11 N -2.84 -0.11 -0.14 2.37 1.85 -1.26 0.46 116.66 116.98 2dhm n ARG 11 Ca -0.01 1.25 -0.08 0.00 -1.00 0.00 0.00 57.85 58.01 2dhm n ARG 11 Cb 0.02 -1.86 -0.03 0.00 -1.05 0.00 0.00 32.46 29.55 2dhm n ARG 11 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2dhm h GLU 12 N 0.00 -0.26 -0.89 2.89 5.08 -2.00 0.17 114.58 119.57 2dhm h GLU 12 Ca 0.35 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.74 2dhm h GLU 12 Cb 0.55 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2dhm h GLU 12 CO -0.82 -0.17 0.59 0.00 -1.00 0.00 0.00 179.01 177.61 2dhm h ARG 13 N -0.27 1.17 0.18 2.33 3.08 -0.05 -0.59 114.38 120.23 2dhm h ARG 13 Ca 0.17 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2dhm h ARG 13 Cb 0.56 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 2dhm h ARG 13 CO -0.59 0.77 -0.47 0.82 -1.07 0.00 0.00 179.97 179.43 2dhm h ILE 14 N 1.21 0.08 0.48 2.04 2.04 0.43 -2.79 117.51 121.00 2dhm h ILE 14 Ca 0.33 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.17 2dhm h ILE 14 Cb -0.13 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 2dhm h ILE 14 CO -0.07 0.00 -0.23 -0.33 0.00 0.00 0.00 178.15 177.52 2dhm h GLU 15 N -0.75 -0.62 -0.77 2.37 5.08 -1.09 -2.62 114.58 116.18 2dhm h GLU 15 Ca -0.00 0.04 0.29 0.00 -1.00 0.00 0.00 59.36 58.69 2dhm h GLU 15 Cb 0.74 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 30.03 2dhm h GLU 15 CO -0.24 -0.36 0.47 0.39 -1.00 0.00 0.00 179.01 178.28 2dhm n GLU 16 N -5.32 -0.03 -0.03 2.33 1.02 -0.24 -0.45 120.64 117.92 2dhm n GLU 16 Ca -0.11 0.83 -0.00 0.00 -0.02 0.00 0.00 57.16 57.85 2dhm n GLU 16 Cb 0.29 -1.56 -0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.64 3.49 1.79 -1.25 -3.33 116.57 115.62 2dhm h LYS 17 Ca 0.55 0.00 0.48 0.00 -2.18 0.00 0.00 60.65 59.50 2dhm h LYS 17 Cb 1.64 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.22 2dhm h LYS 17 CO -0.38 0.00 1.18 1.28 -1.08 0.00 0.00 179.45 180.45 2dhm n LEU 18 N -3.44 0.01 0.08 2.94 4.77 0.40 0.80 117.00 122.56 2dhm n LEU 18 Ca -0.00 0.86 -0.12 0.00 -0.03 0.00 0.00 56.01 56.72 2dhm n LEU 18 Cb 0.01 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 2dhm n LEU 18 CO 0.01 -0.87 0.72 0.03 -1.33 0.00 0.00 177.39 175.94 2dhm h ARG 19 N 0.00 -0.36 0.07 3.23 3.08 -1.20 -1.47 114.38 117.73 2dhm h ARG 19 Ca 0.79 0.02 -0.36 0.00 0.07 0.00 0.00 59.98 60.51 2dhm h ARG 19 Cb 3.15 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 33.24 2dhm h ARG 19 CO -0.04 -0.24 -2.09 0.00 -1.07 0.00 0.00 179.97 176.54 2dhm n ALA 20 N -2.58 1.15 -0.13 0.04 0.00 0.24 -2.39 120.51 116.83 2dhm n ALA 20 Ca -0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 2dhm n ALA 20 Cb 0.26 -0.54 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 2dhm n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhm h ALA 21 N 0.27 -0.71 0.00 0.00 0.00 -0.47 -3.35 119.26 115.00 2dhm h ALA 21 Ca -0.45 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.15 2dhm h ALA 21 Cb 2.02 1.09 -0.05 0.00 0.00 0.00 0.00 17.79 20.85 2dhm h ALA 21 CO 0.04 -0.95 -2.08 1.19 0.00 0.00 0.00 179.25 177.45 2dhm n PHE 22 N -5.03 0.00 -2.35 0.00 3.72 -0.98 -5.03 117.46 107.79 2dhm n PHE 22 Ca -0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.33 2dhm n PHE 22 Cb 0.29 -0.70 0.02 0.00 -0.94 0.00 0.00 39.48 38.15 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 -3.63 -1.64 -0.81 -1.08 6.02 -0.59 -5.05 117.38 110.60 2dhm n GLN 23 Ca -0.37 0.21 -0.23 0.00 -0.01 0.00 0.00 57.00 56.60 2dhm n GLN 23 Cb 0.79 -3.33 0.19 0.00 1.02 0.00 0.00 30.24 28.92 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 -1.79 -2.67 -0.04 -1.09 -0.04 -1.26 -5.00 135.00 123.10 2dhm n PRO 24 Ca -0.07 -1.35 -0.08 0.00 -0.04 0.00 0.00 63.50 61.95 2dhm n PRO 24 Cb 0.54 -1.27 -0.14 0.00 -0.04 0.00 0.00 33.50 32.59 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 -4.34 1.48 -4.48 0.52 3.14 -0.87 -4.94 118.33 108.84 2dhm n VAL 25 Ca 0.12 -0.80 -0.29 0.00 -2.96 0.00 0.00 64.34 60.40 2dhm n VAL 25 Cb 0.46 -0.82 -0.13 0.00 -1.06 0.00 0.00 33.84 32.29 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 -2.61 2.35 -0.23 1.45 5.36 -1.23 -5.00 117.98 118.08 2dhm s PHE 26 Ca -0.06 -0.37 -0.14 0.00 -0.96 0.00 0.00 56.93 55.40 2dhm s PHE 26 Cb 0.08 -1.30 0.07 0.00 -0.34 0.00 0.00 43.02 41.53 2dhm s PHE 26 CO 0.83 0.30 0.57 -1.17 -1.46 0.00 0.00 175.22 174.29 2dhm s LEU 27 N -1.90 -0.53 -0.29 6.12 2.96 -1.26 -3.41 118.68 120.37 2dhm s LEU 27 Ca 0.14 1.24 -0.16 0.00 -0.22 0.00 0.00 54.13 55.13 2dhm s LEU 27 Cb -0.10 1.96 0.16 0.00 0.50 0.00 0.00 46.19 48.70 2dhm s LEU 27 CO 0.06 -0.22 1.02 -0.70 -1.32 0.00 0.00 176.35 175.19 2dhm s GLU 28 N 1.33 0.31 -0.10 1.98 -6.30 -1.09 -5.02 118.70 109.81 2dhm s GLU 28 Ca -0.08 0.58 0.02 0.00 -2.50 0.00 0.00 54.97 52.99 2dhm s GLU 28 Cb -0.06 0.14 -0.02 0.00 0.00 0.00 0.00 34.13 34.19 2dhm s GLU 28 CO -0.14 -0.07 -0.16 0.08 0.02 0.00 0.00 175.26 174.99 2dhm s VAL 29 N 1.55 2.86 -0.54 3.70 1.01 -1.26 -0.52 120.40 127.20 2dhm s VAL 29 Ca -0.07 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 2dhm s VAL 29 Cb -0.04 -2.15 0.14 0.00 0.00 0.00 0.00 36.38 34.32 2dhm s VAL 29 CO -0.15 0.55 0.42 -0.69 0.00 0.00 0.00 175.10 175.24 2dhm s VAL 30 N -0.02 4.45 -0.32 2.92 1.01 -0.85 -5.02 120.40 122.58 2dhm s VAL 30 Ca -0.04 -1.94 -0.10 0.00 0.00 0.00 0.00 61.98 59.89 2dhm s VAL 30 Cb -0.14 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2dhm s VAL 30 CO 0.04 -0.83 0.18 -0.62 0.00 0.00 0.00 175.10 173.87 2dhm s ASP 31 N 2.55 5.69 -0.86 3.32 2.15 -1.26 -3.24 116.67 125.02 2dhm s ASP 31 Ca 0.08 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2dhm s ASP 31 Cb -0.24 -2.04 0.25 0.00 -0.30 0.00 0.00 42.92 40.59 2dhm s ASP 31 CO -0.01 -0.20 0.94 -0.62 -0.17 0.00 0.00 175.17 175.11 2dhm n GLU 32 N 5.02 3.04 -3.99 4.34 1.02 -1.26 -5.03 120.64 123.78 2dhm n GLU 32 Ca -0.14 -4.56 -0.35 0.00 -0.02 0.00 0.00 57.16 52.09 2dhm n GLU 32 Cb 0.49 -2.39 -0.13 0.00 -0.02 0.00 0.00 31.44 29.40 2dhm n GLU 32 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dhm s SER 33 N -1.29 4.86 -0.29 1.62 0.15 -1.26 -4.50 113.70 112.98 2dhm s SER 33 Ca 0.32 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 2dhm s SER 33 Cb 0.03 -1.84 0.05 0.00 -1.71 0.00 0.00 66.02 62.55 2dhm s SER 33 CO -0.04 0.04 -0.02 -0.31 1.20 0.00 0.00 173.24 174.11 2dhm s TYR 34 N 1.16 3.27 -0.05 3.44 1.51 -1.26 -4.91 117.35 120.51 2dhm s TYR 34 Ca 0.03 -1.95 0.06 0.00 -1.01 0.00 0.00 57.07 54.20 2dhm s TYR 34 Cb -0.14 -2.09 -0.09 0.00 -0.11 0.00 0.00 41.96 39.53 2dhm s TYR 34 CO 0.02 -0.82 0.07 2.89 -1.11 0.00 0.00 175.55 176.60 2dhm n ARG 35 N 4.59 1.98 0.00 -0.62 1.85 -1.22 -4.15 116.66 119.09 2dhm n ARG 35 Ca -0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 2dhm n ARG 35 Cb 0.43 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.67 2dhm n ARG 35 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2dhm n HIS 36 N -2.07 0.00 -0.01 2.89 8.25 -1.26 -4.36 115.22 118.66 2dhm n HIS 36 Ca -0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.38 2dhm n HIS 36 Cb 0.53 -0.44 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 2dhm n HIS 36 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2dhm n ASN 37 N -2.50 0.19 -4.79 0.41 0.23 -1.26 -4.96 115.26 102.57 2dhm n ASN 37 Ca 0.00 0.25 -0.34 0.00 -0.53 0.00 0.00 54.58 53.96 2dhm n ASN 37 Cb 0.00 -0.54 -0.02 0.00 -2.08 0.00 0.00 39.78 37.14 2dhm n ASN 37 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2dhm s VAL 38 N -1.14 3.58 0.92 3.53 -7.23 -1.26 -5.03 120.40 113.77 2dhm s VAL 38 Ca -0.02 0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 61.01 2dhm s VAL 38 Cb 0.00 -3.39 0.14 0.00 0.56 0.00 0.00 36.38 33.69 2dhm s VAL 38 CO 0.03 -0.22 1.09 -2.16 -0.31 0.00 0.00 175.10 173.53 2dhm s PRO 39 N -3.27 1.04 -0.87 4.82 0.04 -1.26 -3.38 135.00 132.12 2dhm s PRO 39 Ca 0.69 0.74 -0.07 0.00 0.04 0.00 0.00 61.00 62.41 2dhm s PRO 39 Cb -0.19 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 2dhm s PRO 39 CO 0.23 -2.37 2.68 0.00 0.04 0.00 0.00 177.00 177.58 2dhm n ALA 40 N -3.96 5.88 -2.65 8.56 0.00 -1.26 -3.79 120.51 123.29 2dhm n ALA 40 Ca 0.07 -2.35 -0.04 0.00 0.00 0.00 0.00 53.44 51.12 2dhm n ALA 40 Cb 0.56 -2.91 0.05 0.00 0.00 0.00 0.00 19.45 17.15 2dhm n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dhm n GLY 41 N 3.33 0.33 2.77 0.00 0.00 -1.26 -5.07 105.19 105.29 2dhm n GLY 41 Ca 0.53 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 2dhm n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhm s SER 42 N -0.63 1.23 -1.55 1.61 1.04 -1.25 -4.90 113.70 109.25 2dhm s SER 42 Ca 0.10 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 2dhm s SER 42 Cb 0.22 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2dhm s SER 42 CO -0.05 -0.29 0.30 -0.62 0.98 0.00 0.00 173.24 173.55 2dhm n GLU 43 N 5.32 -2.05 -3.16 4.02 1.02 -1.26 -4.85 120.64 119.67 2dhm n GLU 43 Ca -0.05 0.24 -0.45 0.00 -0.02 0.00 0.00 57.16 56.88 2dhm n GLU 43 Cb 0.50 -4.21 -0.01 0.00 -0.02 0.00 0.00 31.44 27.70 2dhm n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2dhm s SER 44 N -4.15 7.06 0.35 1.62 1.04 -1.26 -4.96 113.70 113.39 2dhm s SER 44 Ca 0.17 -3.05 -0.00 0.00 0.48 0.00 0.00 55.95 53.55 2dhm s SER 44 Cb -0.09 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2dhm s SER 44 CO 0.95 -0.58 0.56 -1.00 0.98 0.00 0.00 173.24 174.16 2dhm s HIS 45 N 0.38 3.50 -0.04 5.02 3.76 -1.26 -5.05 115.29 121.61 2dhm s HIS 45 Ca 0.32 0.41 0.03 0.00 -0.15 0.00 0.00 55.06 55.68 2dhm s HIS 45 Cb -0.07 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.68 2dhm s HIS 45 CO -0.06 0.10 -0.14 0.12 -0.85 0.00 0.00 174.74 173.91 2dhm s PHE 46 N -2.32 1.40 0.04 1.40 2.19 -1.26 -4.07 117.98 115.35 2dhm s PHE 46 Ca 0.41 -0.40 0.01 0.00 0.33 0.00 0.00 56.93 57.28 2dhm s PHE 46 Cb -0.10 -0.96 -0.02 0.00 -1.31 0.00 0.00 43.02 40.62 2dhm s PHE 46 CO 0.36 -0.15 -0.06 0.21 1.83 0.00 0.00 175.22 177.41 2dhm s LYS 47 N 0.15 0.46 -0.09 10.12 2.20 -1.20 -1.43 119.74 129.96 2dhm s LYS 47 Ca -0.04 -0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 54.78 2dhm s LYS 47 Cb -0.11 -0.11 0.04 0.00 -1.51 0.00 0.00 37.83 36.15 2dhm s LYS 47 CO 0.02 0.00 0.20 0.08 -0.36 0.00 0.00 175.35 175.29 2dhm s VAL 48 N -1.61 -0.04 -0.14 4.02 1.01 -1.23 -2.00 120.40 120.41 2dhm s VAL 48 Ca -0.11 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2dhm s VAL 48 Cb -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2dhm s VAL 48 CO -0.01 0.06 -0.02 -0.69 0.00 0.00 0.00 175.10 174.43 2dhm s VAL 49 N 1.07 4.03 -0.16 2.92 1.01 0.32 -2.61 120.40 126.98 2dhm s VAL 49 Ca -0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 2dhm s VAL 49 Cb -0.10 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.61 2dhm s VAL 49 CO -0.06 0.51 0.29 -0.22 0.00 0.00 0.00 175.10 175.62 2dhm s LEU 50 N 0.13 -0.36 -0.25 3.92 0.20 -1.25 -2.68 118.68 118.39 2dhm s LEU 50 Ca -0.00 0.54 -0.08 0.00 0.69 0.00 0.00 54.13 55.28 2dhm s LEU 50 Cb -0.13 0.79 -0.03 0.00 -0.43 0.00 0.00 46.19 46.39 2dhm s LEU 50 CO 0.02 -0.25 0.08 -0.69 -0.29 0.00 0.00 176.35 175.23 2dhm s VAL 51 N 2.45 4.47 -0.24 1.68 1.01 -1.22 -3.64 120.40 124.91 2dhm s VAL 51 Ca 0.02 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 2dhm s VAL 51 Cb -0.13 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.23 2dhm s VAL 51 CO -0.10 0.34 0.62 -0.55 0.00 0.00 0.00 175.10 175.41 2dhm s SER 52 N 1.52 -0.72 0.47 3.32 0.15 -1.23 -2.05 113.70 115.16 2dhm s SER 52 Ca 0.06 1.29 0.18 0.00 0.70 0.00 0.00 55.95 58.18 2dhm s SER 52 Cb -0.15 1.25 1.17 0.00 -1.71 0.00 0.00 66.02 66.58 2dhm s SER 52 CO 0.04 -0.22 1.99 -2.24 1.20 0.00 0.00 173.24 174.01 2dhm h ASP 53 N 5.91 0.23 -0.17 5.45 2.03 -1.98 -1.16 116.42 126.73 2dhm h ASP 53 Ca -0.30 0.01 0.05 0.00 -0.73 0.00 0.00 57.03 56.06 2dhm h ASP 53 Cb 1.19 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.64 2dhm h ASP 53 CO 0.15 0.13 0.74 0.03 -1.03 0.00 0.00 179.24 179.26 2dhm h ARG 54 N 0.25 0.00 -1.44 4.15 2.47 -1.97 0.24 114.38 118.08 2dhm h ARG 54 Ca 0.26 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.43 2dhm h ARG 54 Cb 0.70 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 28.79 2dhm h ARG 54 CO -0.05 0.00 0.69 1.19 0.56 0.00 0.00 179.97 182.36 2dhm n PHE 55 N -2.84 2.44 -3.31 3.04 3.01 -0.44 -4.91 117.46 114.46 2dhm n PHE 55 Ca 0.03 -2.45 -0.42 0.00 1.01 0.00 0.00 57.45 55.61 2dhm n PHE 55 Cb 0.82 -1.25 -0.09 0.00 -0.01 0.00 0.00 39.48 38.95 2dhm n PHE 55 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2dhm s THR 56 N -3.71 5.07 -0.77 4.37 -1.32 0.85 -4.60 115.64 115.52 2dhm s THR 56 Ca 0.52 -0.14 -0.03 0.00 -1.21 0.00 0.00 61.69 60.83 2dhm s THR 56 Cb 0.40 -4.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.39 2dhm s THR 56 CO -0.09 -0.35 0.63 0.61 -2.21 0.00 0.00 174.62 173.21 2dhm n GLY 57 N 5.03 -1.21 1.82 6.08 0.00 -1.26 -5.00 105.19 110.65 2dhm n GLY 57 Ca -0.07 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.22 1.17 -2.79 1.61 0.00 -1.26 -5.11 120.64 112.04 2dhm n GLU 58 Ca -0.22 -1.86 -0.42 0.00 0.00 0.00 0.00 57.16 54.66 2dhm n GLU 58 Cb 0.64 0.66 -0.03 0.00 0.00 0.00 0.00 31.44 32.71 2dhm n GLU 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2dhm s ARG 59 N -2.89 4.26 0.41 3.44 0.52 -1.26 -4.90 118.95 118.53 2dhm s ARG 59 Ca 0.03 1.15 0.35 0.00 -0.52 0.00 0.00 55.73 56.74 2dhm s ARG 59 Cb 0.00 -3.62 1.34 0.00 0.52 0.00 0.00 34.95 33.20 2dhm s ARG 59 CO 0.02 -0.50 1.30 1.19 0.02 0.00 0.00 175.30 177.33 2dhm n PHE 60 N 5.86 0.29 0.05 -0.53 3.72 -1.26 0.22 117.46 125.80 2dhm n PHE 60 Ca 0.08 0.30 -0.20 0.00 -0.05 0.00 0.00 57.45 57.58 2dhm n PHE 60 Cb 0.47 -0.71 -0.14 0.00 -0.94 0.00 0.00 39.48 38.16 2dhm n PHE 60 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2dhm h LEU 61 N 0.00 0.49 -0.96 4.37 4.07 -2.01 -3.33 115.31 117.94 2dhm h LEU 61 Ca 0.76 -0.92 0.26 0.00 0.08 0.00 0.00 57.88 58.06 2dhm h LEU 61 Cb 2.76 -0.16 -0.18 0.00 1.08 0.00 0.00 40.66 44.16 2dhm h LEU 61 CO -0.20 1.37 -0.00 -3.20 -1.08 0.00 0.00 178.44 175.33 2dhm n ASN 62 N -4.13 -0.13 0.14 -0.43 2.85 0.59 -0.12 115.26 114.03 2dhm n ASN 62 Ca -0.13 1.63 -0.14 0.00 -0.11 0.00 0.00 54.58 55.83 2dhm n ASN 62 Cb 0.81 -0.59 -0.07 0.00 1.24 0.00 0.00 39.78 41.17 2dhm n ASN 62 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2dhm h ARG 63 N 0.00 -0.63 0.00 1.20 -0.00 -1.64 -0.88 114.38 112.44 2dhm h ARG 63 Ca 0.57 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 60.09 2dhm h ARG 63 Cb 1.16 0.14 0.00 0.00 0.00 0.00 0.00 29.97 31.27 2dhm h ARG 63 CO -0.91 -0.42 0.00 0.72 0.00 0.00 0.00 179.97 179.36 2dhm n HIS 64 N -5.46 0.00 -0.29 3.04 8.25 0.83 -1.56 115.22 120.03 2dhm n HIS 64 Ca -0.08 0.00 0.25 0.00 -0.26 0.00 0.00 57.72 57.63 2dhm n HIS 64 Cb 0.37 -0.49 0.46 0.00 1.12 0.00 0.00 29.99 31.45 2dhm n HIS 64 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2dhm n ARG 65 N -2.24 -0.06 0.31 -0.41 1.85 -0.71 0.46 116.66 115.85 2dhm n ARG 65 Ca 0.00 1.26 -0.17 0.00 -1.00 0.00 0.00 57.85 57.95 2dhm n ARG 65 Cb 0.00 -2.20 -0.09 0.00 -1.05 0.00 0.00 32.46 29.13 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 -0.72 -0.18 2.89 2.86 -0.66 0.21 114.93 119.32 2dhm h MET 66 Ca 0.71 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.39 2dhm h MET 66 Cb 1.79 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.60 2dhm h MET 66 CO -0.73 -0.47 0.10 0.82 1.06 0.00 0.00 176.91 177.69 2dhm h ILE 67 N -0.78 1.11 0.44 -1.22 1.08 0.10 -3.08 117.51 115.16 2dhm h ILE 67 Ca -0.08 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 2dhm h ILE 67 Cb 0.59 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 2dhm h ILE 67 CO 0.13 0.10 -0.33 1.88 -0.69 0.00 0.00 178.15 179.23 2dhm h TYR 68 N 0.19 -0.89 -0.96 1.37 -1.99 -0.54 -2.40 116.97 111.74 2dhm h TYR 68 Ca 0.06 -0.00 0.35 0.00 2.00 0.00 0.00 58.73 61.14 2dhm h TYR 68 Cb 0.07 0.33 -0.18 0.00 2.00 0.00 0.00 36.73 38.96 2dhm h TYR 68 CO -0.04 -0.49 0.33 0.45 -0.00 0.00 0.00 178.16 178.41 2dhm n SER 69 N -5.46 0.16 0.19 3.88 2.88 0.72 0.22 113.62 116.22 2dhm n SER 69 Ca -0.11 1.61 -0.14 0.00 -1.33 0.00 0.00 58.87 58.90 2dhm n SER 69 Cb 0.36 -0.71 -0.08 0.00 -0.75 0.00 0.00 64.21 63.03 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 0.63 -0.98 2.46 2.02 -1.36 -3.15 112.91 112.53 2dhm h THR 70 Ca 0.73 -0.43 -0.57 0.00 0.77 0.00 0.00 66.41 66.91 2dhm h THR 70 Cb 1.79 0.83 -0.30 0.00 -1.74 0.00 0.00 68.15 68.74 2dhm h THR 70 CO -0.80 0.08 0.73 0.18 0.37 0.00 0.00 175.52 176.07 2dhm n LEU 71 N -5.20 7.04 -0.22 2.58 4.77 0.11 -4.75 117.00 121.32 2dhm n LEU 71 Ca -0.10 -3.82 -0.06 0.00 -0.03 0.00 0.00 56.01 52.01 2dhm n LEU 71 Cb 0.27 -0.89 -0.05 0.00 -2.33 0.00 0.00 43.42 40.42 2dhm n LEU 71 CO 0.32 1.19 0.48 0.00 -1.33 0.00 0.00 177.39 178.06 2dhm n ALA 72 N -1.03 -0.33 -0.05 -1.18 0.00 0.60 -0.39 120.51 118.13 2dhm n ALA 72 Ca 0.60 0.44 -0.18 0.00 0.00 0.00 0.00 53.44 54.29 2dhm n ALA 72 Cb 1.29 0.16 -0.13 0.00 0.00 0.00 0.00 19.45 20.78 2dhm n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dhm h GLU 73 N 0.00 0.08 -0.99 0.00 4.81 -1.85 -3.05 114.58 113.59 2dhm h GLU 73 Ca 0.08 -0.14 0.39 0.00 -0.13 0.00 0.00 59.36 59.56 2dhm h GLU 73 Cb 0.21 0.05 -0.18 0.00 0.63 0.00 0.00 28.75 29.47 2dhm h GLU 73 CO -0.49 1.07 0.46 0.39 -0.73 0.00 0.00 179.01 179.71 2dhm n GLU 74 N -4.36 -0.06 0.13 1.92 1.02 -1.16 0.88 120.64 119.00 2dhm n GLU 74 Ca -0.20 1.38 -0.24 0.00 -0.02 0.00 0.00 57.16 58.08 2dhm n GLU 74 Cb 0.66 -2.43 -0.16 0.00 -0.02 0.00 0.00 31.44 29.50 2dhm n GLU 74 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2dhm h LEU 75 N 0.00 0.76 -2.14 -4.62 8.10 -0.86 -3.26 115.31 113.28 2dhm h LEU 75 Ca 0.81 -0.88 0.02 0.00 0.11 0.00 0.00 57.88 57.94 2dhm h LEU 75 Cb 2.08 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 42.06 2dhm h LEU 75 CO -0.78 1.70 0.29 -1.28 -4.11 0.00 0.00 178.44 174.26 2dhm h SER 76 N 0.13 0.00 0.22 0.17 0.87 0.61 0.89 113.55 116.44 2dhm h SER 76 Ca -0.27 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2dhm h SER 76 Cb 2.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.09 2dhm h SER 76 CO 0.25 0.00 -0.25 0.74 -0.53 0.00 0.00 176.83 177.03 2dhm h THR 77 N 0.00 0.00 0.00 2.23 2.02 -1.27 -3.43 112.91 112.46 2dhm h THR 77 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2dhm h THR 77 Cb 0.62 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2dhm h THR 77 CO -0.00 0.00 -0.33 1.07 0.37 0.00 0.00 175.52 176.63 2dhm n THR 78 N -3.88 0.00 -2.07 3.16 5.66 -1.02 -5.04 114.28 111.08 2dhm n THR 78 Ca -0.06 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.52 2dhm n THR 78 Cb 0.23 -0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 68.69 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 -1.33 3.63 -0.15 1.08 1.01 0.28 -4.87 120.40 120.06 2dhm s VAL 79 Ca 0.00 0.71 -0.14 0.00 0.00 0.00 0.00 61.98 62.55 2dhm s VAL 79 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 2dhm s VAL 79 CO 0.00 -0.27 -0.29 1.57 0.00 0.00 0.00 175.10 176.11 2dhm n HIS 80 N 8.58 0.00 -4.75 5.22 -0.00 -1.26 -3.95 115.22 119.06 2dhm n HIS 80 Ca 0.19 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 58.04 2dhm n HIS 80 Cb 0.45 -0.47 -0.14 0.00 -0.12 0.00 0.00 29.99 29.71 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 -2.71 2.69 -0.02 1.57 0.00 -1.26 -5.07 121.76 116.97 2dhm s ALA 81 Ca -0.25 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 50.83 2dhm s ALA 81 Cb 0.05 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.96 2dhm s ALA 81 CO 0.36 0.32 -0.05 -1.17 0.00 0.00 0.00 175.76 175.22 2dhm s LEU 82 N 0.08 1.74 -0.95 0.00 2.96 -1.26 -4.38 118.68 116.87 2dhm s LEU 82 Ca -0.05 -0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 2dhm s LEU 82 Cb -0.14 -0.34 0.18 0.00 0.50 0.00 0.00 46.19 46.38 2dhm s LEU 82 CO 0.04 0.02 1.06 0.00 -1.32 0.00 0.00 176.35 176.15 2dhm s ALA 83 N 0.26 3.80 -0.09 5.97 0.00 -0.51 -5.02 121.76 126.18 2dhm s ALA 83 Ca -0.03 -3.12 -0.30 0.00 0.00 0.00 0.00 51.96 48.51 2dhm s ALA 83 Cb -0.07 -3.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 2dhm s ALA 83 CO -0.00 -2.66 1.25 -0.51 0.00 0.00 0.00 175.76 173.84 2dhm s LEU 84 N 1.39 4.25 -0.73 0.00 1.43 -1.26 -3.50 118.68 120.26 2dhm s LEU 84 Ca 0.29 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 2dhm s LEU 84 Cb -0.07 -3.55 0.18 0.00 0.03 0.00 0.00 46.19 42.78 2dhm s LEU 84 CO -0.08 -0.67 0.56 -1.00 0.23 0.00 0.00 176.35 175.39 2dhm s HIS 85 N 2.70 3.60 0.15 0.29 3.76 -1.07 -5.01 115.29 119.70 2dhm s HIS 85 Ca 0.57 -3.03 -0.28 0.00 -0.15 0.00 0.00 55.06 52.17 2dhm s HIS 85 Cb -0.25 -3.06 -0.07 0.00 1.11 0.00 0.00 32.58 30.31 2dhm s HIS 85 CO 0.20 -0.72 0.86 0.95 -0.85 0.00 0.00 174.74 175.18 2dhm s THR 86 N -0.89 4.39 0.02 1.30 -4.23 -1.26 -3.93 115.64 111.04 2dhm s THR 86 Ca 0.23 1.88 0.00 0.00 -1.18 0.00 0.00 61.69 62.61 2dhm s THR 86 Cb -0.13 -4.23 -0.02 0.00 1.34 0.00 0.00 72.50 69.47 2dhm s THR 86 CO -0.09 0.44 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.09 2dhm s TYR 87 N -0.67 0.25 -0.01 3.99 1.51 -1.24 -5.05 117.35 116.14 2dhm s TYR 87 Ca 0.40 -0.51 -0.16 0.00 -1.01 0.00 0.00 57.07 55.79 2dhm s TYR 87 Cb -0.23 -0.18 -0.06 0.00 -0.11 0.00 0.00 41.96 41.38 2dhm s TYR 87 CO 0.28 -0.18 0.46 0.95 -1.11 0.00 0.00 175.55 175.94 2dhm s THR 88 N -1.40 4.99 0.37 -0.71 -4.23 -1.26 -3.48 115.64 109.93 2dhm s THR 88 Ca -0.15 0.94 0.21 0.00 -1.18 0.00 0.00 61.69 61.51 2dhm s THR 88 Cb -0.10 -3.77 0.35 0.00 1.34 0.00 0.00 72.50 70.33 2dhm s THR 88 CO -0.01 0.53 1.58 -0.38 -0.54 0.00 0.00 174.62 175.79 2dhm n ILE 89 N 2.15 -0.41 0.13 2.99 -0.00 -1.26 -0.17 119.36 122.79 2dhm n ILE 89 Ca -0.12 2.02 -0.12 0.00 -0.00 0.00 0.00 62.75 64.53 2dhm n ILE 89 Cb 0.52 -3.28 -0.07 0.00 -0.00 0.00 0.00 39.64 36.80 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 -0.37 -0.54 0.38 1.79 -1.99 0.65 116.57 116.48 2dhm h LYS 90 Ca 0.85 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 59.45 2dhm h LYS 90 Cb 2.26 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 32.91 2dhm h LYS 90 CO -0.76 -0.03 0.04 0.93 -1.08 0.00 0.00 179.45 178.55 2dhm h GLU 91 N -0.86 0.15 -0.17 3.15 4.39 -0.94 -2.07 114.58 118.23 2dhm h GLU 91 Ca -0.04 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2dhm h GLU 91 Cb 0.52 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2dhm h GLU 91 CO 0.06 0.10 -0.03 2.35 -1.16 0.00 0.00 179.01 180.33 2dhm h TRP 92 N 0.16 0.35 -0.84 4.33 -0.00 -0.88 0.89 115.95 119.96 2dhm h TRP 92 Ca 0.28 -0.07 0.34 0.00 -0.00 0.00 0.00 58.89 59.43 2dhm h TRP 92 Cb 0.42 -0.09 -0.15 0.00 -0.00 0.00 0.00 29.16 29.35 2dhm h TRP 92 CO -0.30 0.57 0.39 0.39 -0.00 0.00 0.00 178.44 179.50 2dhm n GLU 93 N -4.69 -0.05 -2.72 2.65 -0.58 0.22 -3.04 120.64 112.43 2dhm n GLU 93 Ca -0.05 1.17 -0.08 0.00 -0.42 0.00 0.00 57.16 57.77 2dhm n GLU 93 Cb 0.26 -2.06 0.10 0.00 -0.57 0.00 0.00 31.44 29.16 2dhm n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dhm n GLY 94 N -1.24 0.97 0.22 0.62 0.00 -1.15 -5.00 105.19 99.61 2dhm n GLY 94 Ca 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 2dhm n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dhm h LEU 95 N 2.56 -0.41 -0.43 0.99 5.85 0.92 -1.02 115.31 123.77 2dhm h LEU 95 Ca -0.18 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2dhm h LEU 95 Cb 1.19 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 42.45 2dhm h LEU 95 CO 0.05 -0.15 -0.02 0.06 -0.34 0.00 0.00 178.44 178.04 2dhm h GLN 96 N 0.04 0.08 -4.30 1.25 3.07 -1.89 -3.34 115.11 110.03 2dhm h GLN 96 Ca 0.28 -0.01 -0.74 0.00 0.09 0.00 0.00 58.65 58.28 2dhm h GLN 96 Cb 0.44 -0.02 -0.25 0.00 0.08 0.00 0.00 27.48 27.73 2dhm h GLN 96 CO -0.54 0.06 -0.35 0.34 0.09 0.00 0.00 178.83 178.43 2dhm s ASP 97 N -5.25 6.00 -0.09 0.06 2.15 -0.39 -4.95 116.67 114.20 2dhm s ASP 97 Ca -0.14 -1.50 -0.08 0.00 0.43 0.00 0.00 52.55 51.26 2dhm s ASP 97 Cb 0.15 -2.13 -0.06 0.00 -0.30 0.00 0.00 42.92 40.58 2dhm s ASP 97 CO 0.71 -0.66 0.28 0.71 -0.17 0.00 0.00 175.17 176.04 2dhm h THR 98 N 5.89 0.30 -3.56 1.71 1.35 -1.70 -3.44 112.91 113.46 2dhm h THR 98 Ca -0.27 -1.11 -0.67 0.00 -0.55 0.00 0.00 66.41 63.80 2dhm h THR 98 Cb 1.10 0.55 -0.30 0.00 -1.73 0.00 0.00 68.15 67.76 2dhm h THR 98 CO 0.88 0.09 -0.71 -0.69 -0.25 0.00 0.00 175.52 174.85 2dhm s VAL 99 N -2.09 3.20 0.04 6.82 1.01 -1.26 -5.00 120.40 123.12 2dhm s VAL 99 Ca -0.05 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 2dhm s VAL 99 Cb -0.00 -2.66 -0.17 0.00 0.00 0.00 0.00 36.38 33.55 2dhm s VAL 99 CO 0.17 0.13 1.45 2.19 0.00 0.00 0.00 175.10 179.04 2dhm h PHE 100 N 8.07 -0.46 -6.25 5.22 -0.00 -2.00 -3.46 116.94 118.06 2dhm h PHE 100 Ca -0.31 -0.01 -0.48 0.00 -0.00 0.00 0.00 57.97 57.17 2dhm h PHE 100 Cb 1.11 0.15 -0.05 0.00 -0.00 0.00 0.00 35.95 37.16 2dhm h PHE 100 CO 0.59 -0.19 -0.75 0.00 -0.00 0.00 0.00 178.31 177.97 2dhm n ALA 101 N -2.40 -1.26 -0.96 12.09 0.00 -1.26 -4.83 120.51 121.90 2dhm n ALA 101 Ca -0.10 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 2dhm n ALA 101 Cb 0.25 -4.35 0.00 0.00 0.00 0.00 0.00 19.45 15.35 2dhm n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dhm n SER 102 N -2.78 -2.30 -4.77 0.00 7.64 -1.26 -4.85 113.62 105.29 2dhm n SER 102 Ca 0.04 0.57 -0.36 0.00 1.01 0.00 0.00 58.87 60.13 2dhm n SER 102 Cb 0.52 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2dhm n SER 102 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dhm s PRO 103 N -0.75 3.60 0.95 1.43 0.04 -1.26 -5.04 135.00 133.98 2dhm s PRO 103 Ca 0.44 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 2dhm s PRO 103 Cb -0.45 -2.25 0.24 0.00 0.04 0.00 0.00 34.50 32.08 2dhm s PRO 103 CO 0.47 -0.67 0.85 -0.35 0.04 0.00 0.00 177.00 177.35 2dhm n PRO 104 N -0.80 -2.68 -4.19 0.56 -0.04 -1.26 -5.09 135.00 121.50 2dhm n PRO 104 Ca 0.09 -1.35 -0.26 0.00 -0.04 0.00 0.00 63.50 61.94 2dhm n PRO 104 Cb 0.49 -1.27 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 2dhm n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhm h ARG 106 N 1.41 -0.09 -0.01 0.00 9.65 -2.08 -3.58 114.38 119.69 2dhm h ARG 106 Ca -0.43 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2dhm h ARG 106 Cb 1.26 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2dhm h ARG 106 CO 0.70 -0.05 0.00 0.41 2.80 0.00 0.00 179.97 183.84