#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 -0.39 0.01 1.61 0.01 -1.26 -5.16 113.70 108.52 2dhm s SER 2 Ca 0.00 0.71 0.02 0.00 1.31 0.00 0.00 55.95 57.99 2dhm s SER 2 Cb 0.00 0.62 -0.01 0.00 0.21 0.00 0.00 66.02 66.84 2dhm s SER 2 CO 0.00 -0.17 -0.06 -0.94 0.41 0.00 0.00 173.24 172.48 2dhm s SER 3 N 1.12 0.70 0.00 2.44 1.04 -1.26 -5.12 113.70 112.62 2dhm s SER 3 Ca -0.08 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2dhm s SER 3 Cb -0.08 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2dhm s SER 3 CO -0.09 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2dhm n GLY 4 N 2.61 0.20 2.91 7.32 0.00 -1.26 -5.13 105.19 111.83 2dhm n GLY 4 Ca -0.15 0.69 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 2dhm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhm s SER 5 N 0.00 4.43 0.39 1.61 0.15 -1.26 -4.98 113.70 114.04 2dhm s SER 5 Ca 0.00 -1.89 0.20 0.00 0.70 0.00 0.00 55.95 54.96 2dhm s SER 5 Cb 0.00 -1.31 1.20 0.00 -1.71 0.00 0.00 66.02 64.20 2dhm s SER 5 CO 0.00 -0.38 1.68 0.28 1.20 0.00 0.00 173.24 176.01 2dhm h SER 6 N 7.81 0.41 -6.42 5.45 0.02 -2.06 -3.45 113.55 115.31 2dhm h SER 6 Ca -0.09 0.15 -0.38 0.00 -0.84 0.00 0.00 61.79 60.63 2dhm h SER 6 Cb 1.02 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 2dhm h SER 6 CO 0.49 -0.10 -0.82 0.61 -1.14 0.00 0.00 176.83 175.88 2dhm n GLY 7 N -1.41 -0.93 2.04 -3.77 0.00 -1.26 -4.72 105.19 95.14 2dhm n GLY 7 Ca 0.32 0.42 -0.14 0.00 0.00 0.00 0.00 46.02 46.62 2dhm n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dhm n MET 8 N -2.35 2.12 -4.19 1.61 0.00 -1.26 -4.80 117.12 108.25 2dhm n MET 8 Ca -0.22 -1.09 -0.32 0.00 -0.00 0.00 0.00 57.70 56.07 2dhm n MET 8 Cb 0.50 -2.06 -0.08 0.00 0.00 0.00 0.00 33.22 31.58 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 1.15 2.82 0.33 2.12 1.00 -1.26 -5.01 119.30 120.44 2dhm s MET 9 Ca 0.66 -0.63 0.05 0.00 0.00 0.00 0.00 55.69 55.77 2dhm s MET 9 Cb 0.30 -2.69 0.58 0.00 0.00 0.00 0.00 34.83 33.02 2dhm s MET 9 CO -0.01 0.61 1.83 0.82 0.00 0.00 0.00 175.02 178.28 2dhm h ILE 10 N 3.23 1.22 -0.98 2.53 1.08 -2.00 -2.63 117.51 119.96 2dhm h ILE 10 Ca -0.48 -0.95 0.03 0.00 -0.39 0.00 0.00 64.86 63.07 2dhm h ILE 10 Cb 1.17 1.15 -0.06 0.00 -3.07 0.00 0.00 36.82 36.02 2dhm h ILE 10 CO 0.60 0.31 0.64 0.08 -0.69 0.00 0.00 178.15 179.09 2dhm h ARG 11 N 0.40 1.21 0.21 2.37 0.11 -1.96 -1.85 114.38 114.87 2dhm h ARG 11 Ca 0.08 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2dhm h ARG 11 Cb 0.45 -0.27 0.00 0.00 1.11 0.00 0.00 29.97 31.26 2dhm h ARG 11 CO 0.03 0.80 -0.10 0.93 0.10 0.00 0.00 179.97 181.72 2dhm h GLU 12 N 1.25 -0.27 -0.87 0.08 4.39 -1.81 -2.40 114.58 114.93 2dhm h GLU 12 Ca 0.39 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.36 2dhm h GLU 12 Cb -0.01 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2dhm h GLU 12 CO -0.12 0.11 0.68 0.00 -1.16 0.00 0.00 179.01 178.52 2dhm h ARG 13 N -0.80 0.00 0.09 2.33 3.08 -1.34 0.43 114.38 118.17 2dhm h ARG 13 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2dhm h ARG 13 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2dhm h ARG 13 CO 0.05 0.00 -0.04 0.82 -1.07 0.00 0.00 179.97 179.72 2dhm h ILE 14 N 0.00 0.79 0.61 2.04 2.04 -1.26 -3.31 117.51 118.42 2dhm h ILE 14 Ca 0.41 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2dhm h ILE 14 Cb 1.77 1.42 0.01 0.00 -0.74 0.00 0.00 36.82 39.28 2dhm h ILE 14 CO -0.00 0.24 -0.29 -0.33 0.00 0.00 0.00 178.15 177.76 2dhm h GLU 15 N -0.95 -0.79 -1.64 2.37 5.08 -0.74 -2.40 114.58 115.51 2dhm h GLU 15 Ca -0.01 0.05 0.48 0.00 -1.00 0.00 0.00 59.36 58.88 2dhm h GLU 15 Cb 0.49 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 2dhm h GLU 15 CO 0.02 -0.48 1.18 -0.85 -1.00 0.00 0.00 179.01 177.89 2dhm n GLU 16 N -5.37 -0.00 -0.07 2.33 0.28 0.14 0.31 120.64 118.26 2dhm n GLU 16 Ca -0.12 0.91 -0.07 0.00 -0.16 0.00 0.00 57.16 57.72 2dhm n GLU 16 Cb 0.35 -2.09 -0.04 0.00 1.43 0.00 0.00 31.44 31.09 2dhm n GLU 16 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2dhm h LYS 17 N 0.00 0.00 -0.73 3.44 1.57 -1.58 -3.38 116.57 115.90 2dhm h LYS 17 Ca 0.79 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.73 2dhm h LYS 17 Cb 3.14 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 35.33 2dhm h LYS 17 CO -0.02 0.31 0.03 -0.07 -0.57 0.00 0.00 179.45 179.13 2dhm h LEU 18 N -1.00 -0.28 -0.89 2.94 3.38 0.35 0.70 115.31 120.51 2dhm h LEU 18 Ca -0.05 0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.24 2dhm h LEU 18 Cb 0.49 0.31 -0.14 0.00 0.09 0.00 0.00 40.66 41.41 2dhm h LEU 18 CO -0.03 -0.15 -0.36 0.54 0.09 0.00 0.00 178.44 178.54 2dhm n ARG 19 N -5.31 -0.22 0.09 1.13 1.74 -0.08 0.39 116.66 114.40 2dhm n ARG 19 Ca 0.13 1.36 0.12 0.00 -0.77 0.00 0.00 57.85 58.69 2dhm n ARG 19 Cb 0.45 -2.02 0.02 0.00 -1.02 0.00 0.00 32.46 29.89 2dhm n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dhm n ALA 20 N -3.52 2.67 0.01 7.54 0.00 -0.49 -1.58 120.51 125.14 2dhm n ALA 20 Ca 0.09 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2dhm n ALA 20 Cb 0.35 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 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 2.12 0.07 0.00 0.00 0.00 0.53 -3.40 119.26 118.58 2dhm h ALA 21 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dhm h ALA 21 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2dhm h ALA 21 CO 0.00 -0.42 -0.65 1.19 0.00 0.00 0.00 179.25 179.37 2dhm n PHE 22 N -5.03 0.00 -2.35 0.00 3.72 0.05 -5.03 117.46 108.81 2dhm n PHE 22 Ca -0.06 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.28 2dhm n PHE 22 Cb 0.05 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.62 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 -1.97 -1.72 0.00 -1.08 6.02 -0.62 -5.06 117.38 112.95 2dhm n GLN 23 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2dhm n GLN 23 Cb 0.33 -3.43 0.00 0.00 1.02 0.00 0.00 30.24 28.16 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 -2.11 0.20 -0.11 -1.09 -0.04 -1.26 -5.03 135.00 125.55 2dhm n PRO 24 Ca -0.07 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.21 2dhm n PRO 24 Cb 0.55 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 2dhm n PRO 24 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2dhm n VAL 25 N -1.30 1.24 -4.12 0.52 0.24 -1.14 -5.01 118.33 108.76 2dhm n VAL 25 Ca 0.00 -0.42 -0.27 0.00 -2.04 0.00 0.00 64.34 61.61 2dhm n VAL 25 Cb 0.00 -1.43 -0.06 0.00 -1.47 0.00 0.00 33.84 30.87 2dhm n VAL 25 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2dhm s PHE 26 N -2.43 3.04 -0.27 6.34 5.36 -1.24 -5.01 117.98 123.77 2dhm s PHE 26 Ca -0.30 -0.05 -0.22 0.00 -0.96 0.00 0.00 56.93 55.40 2dhm s PHE 26 Cb 0.09 -1.48 0.08 0.00 -0.34 0.00 0.00 43.02 41.37 2dhm s PHE 26 CO 0.47 0.52 0.73 -1.17 -1.46 0.00 0.00 175.22 174.30 2dhm s LEU 27 N -2.97 -0.80 -0.28 6.12 2.96 -1.26 -3.53 118.68 118.92 2dhm s LEU 27 Ca 0.29 1.43 -0.25 0.00 -0.22 0.00 0.00 54.13 55.38 2dhm s LEU 27 Cb -0.10 2.40 0.15 0.00 0.50 0.00 0.00 46.19 49.14 2dhm s LEU 27 CO 0.21 -0.24 1.22 -0.70 -1.32 0.00 0.00 176.35 175.53 2dhm s GLU 28 N 0.85 0.30 0.02 1.98 2.56 -0.95 -5.02 118.70 118.44 2dhm s GLU 28 Ca -0.04 0.32 0.05 0.00 0.00 0.00 0.00 54.97 55.30 2dhm s GLU 28 Cb -0.05 0.15 -0.02 0.00 2.00 0.00 0.00 34.13 36.21 2dhm s GLU 28 CO -0.07 -0.04 -0.14 0.08 -0.56 0.00 0.00 175.26 174.52 2dhm s VAL 29 N 0.01 1.13 -0.30 3.70 1.01 -1.26 -0.56 120.40 124.13 2dhm s VAL 29 Ca 0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2dhm s VAL 29 Cb -0.05 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.39 2dhm s VAL 29 CO -0.10 0.13 0.00 -0.69 0.00 0.00 0.00 175.10 174.44 2dhm s VAL 30 N -0.65 2.94 -0.05 2.92 1.01 -0.82 -5.02 120.40 120.72 2dhm s VAL 30 Ca 0.03 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.55 2dhm s VAL 30 Cb -0.07 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2dhm s VAL 30 CO 0.01 -0.14 0.03 -0.62 0.00 0.00 0.00 175.10 174.37 2dhm s ASP 31 N 1.27 5.37 -0.88 3.32 2.15 -1.26 -2.89 116.67 123.76 2dhm s ASP 31 Ca -0.04 0.13 -0.18 0.00 0.43 0.00 0.00 52.55 52.89 2dhm s ASP 31 Cb -0.20 -1.51 0.14 0.00 -0.30 0.00 0.00 42.92 41.05 2dhm s ASP 31 CO -0.02 0.34 1.03 -1.83 -0.17 0.00 0.00 175.17 174.53 2dhm s GLU 32 N -1.21 3.53 0.09 4.34 -1.05 -1.26 -5.02 118.70 118.14 2dhm s GLU 32 Ca 0.17 -1.79 -0.31 0.00 -0.15 0.00 0.00 54.97 52.89 2dhm s GLU 32 Cb -0.12 -4.75 -0.07 0.00 -0.44 0.00 0.00 34.13 28.75 2dhm s GLU 32 CO 0.06 -1.68 1.30 0.45 0.95 0.00 0.00 175.26 176.34 2dhm s SER 33 N 3.40 6.94 -0.12 0.83 0.15 -1.26 -5.02 113.70 118.62 2dhm s SER 33 Ca 0.28 2.19 0.01 0.00 0.70 0.00 0.00 55.95 59.13 2dhm s SER 33 Cb -0.08 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2dhm s SER 33 CO -0.07 -0.56 -0.16 -0.72 1.20 0.00 0.00 173.24 172.93 2dhm s TYR 34 N 1.04 2.74 0.01 3.44 1.13 -1.26 -5.02 117.35 119.44 2dhm s TYR 34 Ca 0.62 -0.74 -0.18 0.00 -1.41 0.00 0.00 57.07 55.35 2dhm s TYR 34 Cb -0.33 -1.80 -0.29 0.00 -1.10 0.00 0.00 41.96 38.43 2dhm s TYR 34 CO 0.30 -0.26 1.03 0.07 -2.51 0.00 0.00 175.55 174.18 2dhm h ARG 35 N 6.68 0.48 -5.21 -3.49 0.11 -2.00 -3.42 114.38 107.53 2dhm h ARG 35 Ca -0.24 -0.66 -0.19 0.00 0.10 0.00 0.00 59.98 58.99 2dhm h ARG 35 Cb 1.22 0.22 -0.05 0.00 1.11 0.00 0.00 29.97 32.47 2dhm h ARG 35 CO 0.53 1.28 0.99 0.72 0.10 0.00 0.00 179.97 183.59 2dhm n HIS 36 N -3.99 0.70 -0.27 4.08 8.25 -1.26 -4.74 115.22 117.99 2dhm n HIS 36 Ca -0.13 0.02 0.08 0.00 -0.26 0.00 0.00 57.72 57.43 2dhm n HIS 36 Cb 0.88 -1.79 0.22 0.00 1.12 0.00 0.00 29.99 30.42 2dhm n HIS 36 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 2dhm h ASN 37 N 12.45 0.04 -1.87 0.41 -1.24 -2.06 -3.43 115.58 119.88 2dhm h ASN 37 Ca -0.00 0.16 -0.56 0.00 0.71 0.00 0.00 56.30 56.61 2dhm h ASN 37 Cb 1.08 0.21 0.17 0.00 0.73 0.00 0.00 38.32 40.51 2dhm h ASN 37 CO 1.28 -0.06 -1.11 1.33 -1.29 0.00 0.00 177.43 177.58 2dhm n VAL 38 N -5.16 0.00 -2.22 2.57 0.24 -1.26 -4.83 118.33 107.66 2dhm n VAL 38 Ca 0.17 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.59 2dhm n VAL 38 Cb 0.53 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 2dhm n VAL 38 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2dhm s PRO 39 N -0.98 4.39 -0.01 7.34 0.04 -1.26 -5.02 135.00 139.50 2dhm s PRO 39 Ca 0.53 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.33 2dhm s PRO 39 Cb -0.46 -3.19 0.09 0.00 0.04 0.00 0.00 34.50 30.98 2dhm s PRO 39 CO 0.63 -0.24 0.79 0.00 0.04 0.00 0.00 177.00 178.21 2dhm s ALA 40 N 0.07 -1.78 -0.36 8.56 0.00 -1.26 -5.10 121.76 121.88 2dhm s ALA 40 Ca 0.56 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.66 2dhm s ALA 40 Cb -0.36 0.17 0.32 0.00 0.00 0.00 0.00 23.12 23.24 2dhm s ALA 40 CO 0.38 -0.54 1.30 0.41 0.00 0.00 0.00 175.76 177.32 2dhm n GLY 41 N 0.26 -1.00 0.11 0.00 0.00 -1.26 -5.02 105.19 98.27 2dhm n GLY 41 Ca -0.14 0.66 -0.20 0.00 0.00 0.00 0.00 46.02 46.35 2dhm n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dhm h SER 42 N 2.53 0.41 -3.37 1.61 0.87 -2.05 -3.47 113.55 110.08 2dhm h SER 42 Ca -0.26 -0.94 -0.43 0.00 -1.23 0.00 0.00 61.79 58.93 2dhm h SER 42 Cb 1.18 -0.13 -0.14 0.00 -0.44 0.00 0.00 62.40 62.87 2dhm h SER 42 CO 0.02 1.38 -0.69 -1.61 -0.53 0.00 0.00 176.83 175.39 2dhm s GLU 43 N -2.41 1.37 -0.35 2.24 2.02 -1.26 -5.13 118.70 115.18 2dhm s GLU 43 Ca -0.15 -1.65 -0.00 0.00 0.02 0.00 0.00 54.97 53.19 2dhm s GLU 43 Cb 0.01 -0.95 0.11 0.00 0.10 0.00 0.00 34.13 33.41 2dhm s GLU 43 CO 0.81 0.06 0.15 -1.12 0.02 0.00 0.00 175.26 175.18 2dhm s SER 44 N -3.33 3.77 -0.39 -0.19 0.01 -1.26 -5.08 113.70 107.22 2dhm s SER 44 Ca 0.25 -1.96 -0.14 0.00 1.31 0.00 0.00 55.95 55.41 2dhm s SER 44 Cb 0.03 -0.82 0.01 0.00 0.21 0.00 0.00 66.02 65.44 2dhm s SER 44 CO 0.08 -0.36 0.28 -2.28 0.41 0.00 0.00 173.24 171.37 2dhm s HIS 45 N 1.23 3.24 -0.07 2.43 2.46 -1.26 -3.99 115.29 119.32 2dhm s HIS 45 Ca 0.13 -0.47 -0.03 0.00 0.47 0.00 0.00 55.06 55.16 2dhm s HIS 45 Cb -0.20 -2.55 0.04 0.00 -0.13 0.00 0.00 32.58 29.74 2dhm s HIS 45 CO -0.16 -0.52 0.14 0.12 -2.47 0.00 0.00 174.74 171.85 2dhm s PHE 46 N 1.69 -0.13 0.20 3.88 2.19 -1.26 -4.09 117.98 120.46 2dhm s PHE 46 Ca 0.05 0.50 0.11 0.00 0.33 0.00 0.00 56.93 57.92 2dhm s PHE 46 Cb -0.18 -0.22 -0.04 0.00 -1.31 0.00 0.00 43.02 41.26 2dhm s PHE 46 CO 0.10 -0.21 -0.22 0.21 1.83 0.00 0.00 175.22 176.93 2dhm s LYS 47 N 1.81 1.47 -0.12 10.12 2.20 -1.14 -0.16 119.74 133.91 2dhm s LYS 47 Ca -0.02 -1.53 -0.08 0.00 -0.36 0.00 0.00 55.97 53.98 2dhm s LYS 47 Cb -0.12 -1.67 0.04 0.00 -1.51 0.00 0.00 37.83 34.57 2dhm s LYS 47 CO -0.05 0.35 0.29 0.08 -0.36 0.00 0.00 175.35 175.65 2dhm s VAL 48 N -1.94 -0.02 -0.09 4.02 1.01 -0.64 -1.95 120.40 120.78 2dhm s VAL 48 Ca 0.21 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2dhm s VAL 48 Cb -0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 2dhm s VAL 48 CO 0.10 0.03 -0.21 -0.69 0.00 0.00 0.00 175.10 174.33 2dhm s VAL 49 N 0.80 2.37 -0.26 2.92 1.01 0.28 -0.53 120.40 126.99 2dhm s VAL 49 Ca -0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 2dhm s VAL 49 Cb -0.06 -1.92 0.14 0.00 0.00 0.00 0.00 36.38 34.54 2dhm s VAL 49 CO -0.05 0.56 0.38 -0.22 0.00 0.00 0.00 175.10 175.77 2dhm s LEU 50 N 0.13 -0.67 -0.17 3.92 0.20 -1.26 -2.25 118.68 118.58 2dhm s LEU 50 Ca -0.11 -0.01 -0.24 0.00 0.69 0.00 0.00 54.13 54.47 2dhm s LEU 50 Cb -0.16 1.09 -0.02 0.00 -0.43 0.00 0.00 46.19 46.67 2dhm s LEU 50 CO 0.06 -0.32 0.78 -0.69 -0.29 0.00 0.00 176.35 175.89 2dhm s VAL 51 N 2.54 4.92 -0.29 1.68 1.01 -1.23 -4.15 120.40 124.88 2dhm s VAL 51 Ca 0.12 1.52 -0.19 0.00 0.00 0.00 0.00 61.98 63.42 2dhm s VAL 51 Cb -0.14 -4.09 0.13 0.00 0.00 0.00 0.00 36.38 32.28 2dhm s VAL 51 CO -0.21 0.06 0.96 -0.55 0.00 0.00 0.00 175.10 175.35 2dhm s SER 52 N 1.15 -0.54 0.52 3.32 0.15 -1.24 -2.89 113.70 114.17 2dhm s SER 52 Ca 0.36 0.93 0.29 0.00 0.70 0.00 0.00 55.95 58.23 2dhm s SER 52 Cb -0.16 1.12 1.41 0.00 -1.71 0.00 0.00 66.02 66.68 2dhm s SER 52 CO 0.12 -0.15 1.89 -2.24 1.20 0.00 0.00 173.24 174.06 2dhm h ASP 53 N 5.50 0.07 0.00 5.45 2.03 -1.95 0.61 116.42 128.13 2dhm h ASP 53 Ca -0.28 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 2dhm h ASP 53 Cb 1.19 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2dhm h ASP 53 CO 0.16 0.03 0.60 0.03 -1.03 0.00 0.00 179.24 179.02 2dhm h ARG 54 N 0.07 0.00 -1.65 4.15 2.47 -1.99 -0.46 114.38 116.97 2dhm h ARG 54 Ca 0.43 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 59.04 2dhm h ARG 54 Cb 1.58 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.86 2dhm h ARG 54 CO -0.04 0.00 0.14 1.19 0.56 0.00 0.00 179.97 181.82 2dhm n PHE 55 N -2.70 0.53 -0.16 3.04 3.72 0.21 -4.49 117.46 117.60 2dhm n PHE 55 Ca -0.01 -1.20 0.29 0.00 -0.05 0.00 0.00 57.45 56.47 2dhm n PHE 55 Cb 0.62 -0.59 0.72 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.82 0.46 0.00 4.37 2.02 -1.33 -3.45 112.91 115.79 2dhm h THR 56 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2dhm h THR 56 Cb 1.04 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2dhm h THR 56 CO 0.24 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.74 2dhm n GLY 57 N -1.69 0.55 0.00 2.16 0.00 -1.26 -4.99 105.19 99.96 2dhm n GLY 57 Ca 0.18 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2dhm n GLY 57 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dhm n GLU 58 N -1.87 0.00 -3.97 1.61 4.71 -1.26 -4.66 120.64 115.20 2dhm n GLU 58 Ca 0.00 0.77 -0.26 0.00 -0.01 0.00 0.00 57.16 57.65 2dhm n GLU 58 Cb 0.22 -1.46 -0.04 0.00 -1.01 0.00 0.00 31.44 29.16 2dhm n GLU 58 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2dhm s ARG 59 N -2.83 3.33 0.02 3.49 6.06 -1.26 -5.04 118.95 122.73 2dhm s ARG 59 Ca 0.00 -0.64 -0.25 0.00 -2.50 0.00 0.00 55.73 52.34 2dhm s ARG 59 Cb 0.00 -2.91 -0.18 0.00 0.06 0.00 0.00 34.95 31.92 2dhm s ARG 59 CO 0.00 0.52 1.43 0.74 -2.50 0.00 0.00 175.30 175.49 2dhm h PHE 60 N 2.24 -0.06 -0.02 5.12 -1.00 -2.03 -3.19 116.94 118.00 2dhm h PHE 60 Ca -0.48 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.29 2dhm h PHE 60 Cb 1.19 0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 2dhm h PHE 60 CO 0.54 0.23 -0.02 1.37 -1.61 0.00 0.00 178.31 178.83 2dhm h LEU 61 N -0.36 0.05 -0.73 1.54 -0.00 -1.98 -3.25 115.31 110.58 2dhm h LEU 61 Ca -0.01 -0.50 0.16 0.00 -0.00 0.00 0.00 57.88 57.53 2dhm h LEU 61 Cb 0.32 -0.01 -0.14 0.00 -0.00 0.00 0.00 40.66 40.83 2dhm h LEU 61 CO 0.01 0.54 -0.15 -3.20 -0.00 0.00 0.00 178.44 175.64 2dhm n ASN 62 N -4.81 -0.23 -0.29 0.17 5.15 -1.24 0.07 115.26 114.07 2dhm n ASN 62 Ca -0.08 1.25 -0.03 0.00 -0.60 0.00 0.00 54.58 55.12 2dhm n ASN 62 Cb 0.27 -0.39 -0.00 0.00 -0.53 0.00 0.00 39.78 39.13 2dhm n ASN 62 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2dhm n ARG 63 N -5.16 -0.22 -0.01 1.20 0.63 -1.20 -0.45 116.66 111.44 2dhm n ARG 63 Ca 0.13 1.13 -0.16 0.00 -0.92 0.00 0.00 57.85 58.02 2dhm n ARG 63 Cb 0.40 -1.67 -0.12 0.00 0.45 0.00 0.00 32.46 31.52 2dhm n ARG 63 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dhm h HIS 64 N 0.00 0.36 0.00 -0.14 3.86 -0.58 -3.36 115.15 115.29 2dhm h HIS 64 Ca 0.21 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2dhm h HIS 64 Cb 0.40 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2dhm h HIS 64 CO -0.68 1.03 0.00 0.54 0.86 0.00 0.00 177.93 179.68 2dhm n ARG 65 N -4.40 0.00 -0.28 2.45 1.74 0.40 0.74 116.66 117.31 2dhm n ARG 65 Ca -0.10 0.71 0.05 0.00 -0.77 0.00 0.00 57.85 57.74 2dhm n ARG 65 Cb 0.58 -1.10 0.11 0.00 -1.02 0.00 0.00 32.46 31.02 2dhm n ARG 65 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dhm n MET 66 N -2.48 -0.07 0.00 5.56 0.00 -0.69 0.46 117.12 119.89 2dhm n MET 66 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 57.70 58.91 2dhm n MET 66 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 31.41 2dhm n MET 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2dhm n ILE 67 N -5.27 0.00 -0.39 3.17 2.08 0.14 -3.58 119.36 115.51 2dhm n ILE 67 Ca 0.13 0.91 -0.09 0.00 0.56 0.00 0.00 62.75 64.25 2dhm n ILE 67 Cb 0.39 -1.86 -0.08 0.00 -0.75 0.00 0.00 39.64 37.34 2dhm n ILE 67 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 2dhm n TYR 68 N -1.86 -0.36 -0.27 1.39 4.02 0.23 0.41 117.16 120.72 2dhm n TYR 68 Ca 0.00 1.16 0.13 0.00 -0.01 0.00 0.00 57.90 59.18 2dhm n TYR 68 Cb 0.00 -0.60 0.25 0.00 -0.02 0.00 0.00 39.34 38.97 2dhm n TYR 68 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2dhm n SER 69 N -5.19 -0.05 0.01 7.72 2.88 0.17 0.23 113.62 119.39 2dhm n SER 69 Ca 0.03 1.31 -0.12 0.00 -1.33 0.00 0.00 58.87 58.75 2dhm n SER 69 Cb 0.26 -0.49 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 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 1.19 -0.89 2.46 2.02 -0.10 -3.12 112.91 114.47 2dhm h THR 70 Ca 0.49 -0.56 -0.57 0.00 0.77 0.00 0.00 66.41 66.54 2dhm h THR 70 Cb 1.05 1.56 -0.29 0.00 -1.74 0.00 0.00 68.15 68.73 2dhm h THR 70 CO -0.71 0.15 0.47 0.18 0.37 0.00 0.00 175.52 175.98 2dhm n LEU 71 N -4.97 6.69 -0.12 2.58 4.77 0.33 -4.79 117.00 121.49 2dhm n LEU 71 Ca -0.08 -4.15 -0.06 0.00 -0.03 0.00 0.00 56.01 51.70 2dhm n LEU 71 Cb 0.14 -0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 40.37 2dhm n LEU 71 CO 0.33 1.44 0.50 0.00 -1.33 0.00 0.00 177.39 178.33 2dhm h ALA 72 N 1.68 -0.39 0.16 -1.18 0.00 0.29 0.16 119.26 119.98 2dhm h ALA 72 Ca 0.54 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 55.20 2dhm h ALA 72 Cb 1.48 1.02 0.01 0.00 0.00 0.00 0.00 17.79 20.30 2dhm h ALA 72 CO 1.23 -0.54 -1.31 0.93 0.00 0.00 0.00 179.25 179.56 2dhm h GLU 73 N -0.10 0.34 -0.93 0.00 4.39 -1.86 -3.08 114.58 113.34 2dhm h GLU 73 Ca 0.05 -0.59 0.27 0.00 0.34 0.00 0.00 59.36 59.43 2dhm h GLU 73 Cb 0.23 0.22 -0.15 0.00 -0.10 0.00 0.00 28.75 28.95 2dhm h GLU 73 CO -0.33 1.28 0.35 0.93 -1.16 0.00 0.00 179.01 180.08 2dhm h GLU 74 N -0.17 0.24 0.00 2.33 4.39 -1.86 0.89 114.58 120.40 2dhm h GLU 74 Ca -0.25 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.34 2dhm h GLU 74 Cb 1.86 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.44 2dhm h GLU 74 CO 0.15 0.16 -0.54 1.37 -1.16 0.00 0.00 179.01 178.98 2dhm h LEU 75 N 0.25 0.00 -1.76 1.33 8.10 -0.80 -3.18 115.31 119.24 2dhm h LEU 75 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.61 2dhm h LEU 75 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.54 2dhm h LEU 75 CO -0.65 0.42 0.00 -1.20 -4.11 0.00 0.00 178.44 172.91 2dhm n SER 76 N -3.16 2.60 -0.04 0.17 7.64 0.28 -3.46 113.62 117.66 2dhm n SER 76 Ca 0.01 -2.17 -0.01 0.00 1.01 0.00 0.00 58.87 57.71 2dhm n SER 76 Cb 0.71 -0.38 -0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2dhm n SER 76 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2dhm h THR 77 N 2.26 0.00 0.00 0.44 2.02 -0.73 -3.46 112.91 113.44 2dhm h THR 77 Ca 0.00 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2dhm h THR 77 Cb 0.79 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2dhm h THR 77 CO 0.09 0.00 -0.56 1.07 0.37 0.00 0.00 175.52 176.49 2dhm n THR 78 N -3.74 0.00 -2.25 3.16 5.66 -1.26 -5.04 114.28 110.80 2dhm n THR 78 Ca -0.01 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.56 2dhm n THR 78 Cb 0.05 -0.50 -0.03 0.00 -1.55 0.00 0.00 70.33 68.31 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 -1.56 3.73 -0.10 1.08 1.01 -1.22 -4.94 120.40 118.39 2dhm s VAL 79 Ca 0.00 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 63.04 2dhm s VAL 79 Cb 0.00 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2dhm s VAL 79 CO 0.00 0.01 -0.15 1.57 0.00 0.00 0.00 175.10 176.53 2dhm n HIS 80 N 5.11 0.53 -3.89 5.22 -0.00 -1.26 -4.38 115.22 116.55 2dhm n HIS 80 Ca 0.12 0.23 -0.21 0.00 0.46 0.00 0.00 57.72 58.32 2dhm n HIS 80 Cb 0.44 -0.57 -0.02 0.00 -0.12 0.00 0.00 29.99 29.72 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 -2.84 3.90 -0.18 1.57 0.00 -1.26 -5.04 121.76 117.91 2dhm s ALA 81 Ca -0.12 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 2dhm s ALA 81 Cb 0.02 -1.78 0.07 0.00 0.00 0.00 0.00 23.12 21.42 2dhm s ALA 81 CO 0.18 0.21 0.43 -1.17 0.00 0.00 0.00 175.76 175.41 2dhm s LEU 82 N -4.02 -0.31 -0.60 0.00 2.96 -1.26 -4.20 118.68 111.24 2dhm s LEU 82 Ca 0.35 0.96 -0.10 0.00 -0.22 0.00 0.00 54.13 55.12 2dhm s LEU 82 Cb -0.09 1.40 0.16 0.00 0.50 0.00 0.00 46.19 48.16 2dhm s LEU 82 CO 0.30 -0.21 0.49 0.00 -1.32 0.00 0.00 176.35 175.61 2dhm s ALA 83 N 1.79 3.64 -0.71 5.97 0.00 0.77 -4.99 121.76 128.23 2dhm s ALA 83 Ca -0.07 -2.90 -0.27 0.00 0.00 0.00 0.00 51.96 48.72 2dhm s ALA 83 Cb -0.09 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.03 2dhm s ALA 83 CO -0.13 -2.06 1.42 -0.51 0.00 0.00 0.00 175.76 174.48 2dhm s LEU 84 N 0.76 3.20 -1.03 0.00 1.43 -1.26 -1.62 118.68 120.16 2dhm s LEU 84 Ca 0.11 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 2dhm s LEU 84 Cb -0.21 -2.57 0.26 0.00 0.03 0.00 0.00 46.19 43.70 2dhm s LEU 84 CO -0.03 -1.96 1.00 1.57 0.23 0.00 0.00 176.35 177.16 2dhm n HIS 85 N 10.17 4.75 -4.14 0.29 -0.00 0.31 -4.98 115.22 121.63 2dhm n HIS 85 Ca 0.07 -3.96 -0.22 0.00 -0.00 0.00 0.00 57.72 53.61 2dhm n HIS 85 Cb 0.50 -1.46 -0.05 0.00 -0.00 0.00 0.00 29.99 28.98 2dhm n HIS 85 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2dhm s THR 86 N -1.40 4.12 -0.07 3.57 -4.23 -1.26 -4.00 115.64 112.37 2dhm s THR 86 Ca 0.30 -1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.19 2dhm s THR 86 Cb -0.08 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.53 2dhm s THR 86 CO -0.09 -0.34 0.22 -0.31 -0.54 0.00 0.00 174.62 173.56 2dhm s TYR 87 N -2.20 -0.20 0.27 3.99 1.51 -1.26 -4.98 117.35 114.48 2dhm s TYR 87 Ca 0.33 0.48 -0.29 0.00 -1.01 0.00 0.00 57.07 56.57 2dhm s TYR 87 Cb -0.07 0.07 -0.09 0.00 -0.11 0.00 0.00 41.96 41.75 2dhm s TYR 87 CO 0.24 -0.17 1.25 0.95 -1.11 0.00 0.00 175.55 176.71 2dhm s THR 88 N -0.22 3.11 0.24 -0.71 -4.23 -1.26 -3.61 115.64 108.95 2dhm s THR 88 Ca -0.03 1.03 0.04 0.00 -1.18 0.00 0.00 61.69 61.54 2dhm s THR 88 Cb -0.03 -3.66 0.30 0.00 1.34 0.00 0.00 72.50 70.46 2dhm s THR 88 CO 0.01 0.21 1.15 -0.38 -0.54 0.00 0.00 174.62 175.07 2dhm n ILE 89 N 1.59 -0.31 0.11 2.99 -0.00 -1.26 -0.78 119.36 121.71 2dhm n ILE 89 Ca 0.02 1.60 -0.05 0.00 -0.00 0.00 0.00 62.75 64.32 2dhm n ILE 89 Cb 0.43 -2.37 -0.02 0.00 -0.00 0.00 0.00 39.64 37.68 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 -0.29 -0.90 0.38 6.56 -1.97 0.52 116.57 120.87 2dhm h LYS 90 Ca 0.48 0.02 0.22 0.00 -1.06 0.00 0.00 60.65 60.30 2dhm h LYS 90 Cb 1.04 0.07 -0.17 0.00 -0.57 0.00 0.00 32.23 32.60 2dhm h LYS 90 CO -0.67 -0.19 -0.09 0.39 -2.06 0.00 0.00 179.45 176.82 2dhm n GLU 91 N -3.06 -0.08 -0.03 3.15 1.02 0.04 0.81 120.64 122.50 2dhm n GLU 91 Ca -0.04 1.37 -0.17 0.00 -0.02 0.00 0.00 57.16 58.31 2dhm n GLU 91 Cb 0.12 -2.12 -0.08 0.00 -0.02 0.00 0.00 31.44 29.34 2dhm n GLU 91 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2dhm h TRP 92 N 0.00 0.87 -0.31 -0.32 -0.00 -1.10 0.62 115.95 115.71 2dhm h TRP 92 Ca 0.49 -0.38 0.09 0.00 -0.00 0.00 0.00 58.89 59.10 2dhm h TRP 92 Cb 0.91 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.92 2dhm h TRP 92 CO -0.57 1.18 0.77 0.93 -0.00 0.00 0.00 178.44 180.75 2dhm h GLU 93 N 0.30 0.00 0.00 2.65 4.39 0.57 -3.28 114.58 119.21 2dhm h GLU 93 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2dhm h GLU 93 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2dhm h GLU 93 CO 0.13 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.39 2dhm n GLY 94 N -1.47 -1.85 0.19 -3.84 0.00 -0.91 -5.00 105.19 92.32 2dhm n GLY 94 Ca 0.06 0.91 -0.12 0.00 0.00 0.00 0.00 46.02 46.87 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 0.00 -0.42 0.00 0.99 5.85 0.18 -2.47 115.31 119.44 2dhm h LEU 95 Ca 0.00 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2dhm h LEU 95 Cb 0.00 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2dhm h LEU 95 CO 0.00 -0.22 -0.40 -0.61 -0.34 0.00 0.00 178.44 176.87 2dhm h GLN 96 N -0.30 0.00 -0.78 1.25 4.15 -1.92 -3.38 115.11 114.13 2dhm h GLN 96 Ca 0.02 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.51 2dhm h GLN 96 Cb 0.31 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.91 2dhm h GLN 96 CO -0.08 0.91 -0.46 -0.25 -1.93 0.00 0.00 178.83 177.01 2dhm n ASP 97 N -4.57 -0.83 -3.92 -0.69 9.92 -1.24 -4.19 116.55 111.03 2dhm n ASP 97 Ca -0.16 1.47 -0.27 0.00 -0.53 0.00 0.00 54.79 55.30 2dhm n ASP 97 Cb 0.50 -0.22 -0.17 0.00 -0.64 0.00 0.00 41.12 40.60 2dhm n ASP 97 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2dhm s THR 98 N -5.22 1.08 0.13 -3.53 -4.23 -0.93 -5.01 115.64 97.94 2dhm s THR 98 Ca -0.09 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 2dhm s THR 98 Cb 0.09 -1.09 -0.20 0.00 1.34 0.00 0.00 72.50 72.64 2dhm s THR 98 CO 0.48 0.38 1.29 -0.37 -0.54 0.00 0.00 174.62 175.86 2dhm h VAL 99 N 6.16 1.58 -2.04 2.29 -1.51 -1.73 -3.41 116.25 117.59 2dhm h VAL 99 Ca -0.31 -3.03 0.21 0.00 -1.23 0.00 0.00 66.70 62.34 2dhm h VAL 99 Cb 1.13 2.73 -0.11 0.00 -2.13 0.00 0.00 31.29 32.91 2dhm h VAL 99 CO 0.42 0.88 0.60 0.12 -1.23 0.00 0.00 177.57 178.35 2dhm s PHE 100 N -2.89 -0.15 0.40 5.19 5.36 -1.26 -5.11 117.98 119.52 2dhm s PHE 100 Ca -0.02 -0.05 0.08 0.00 -0.96 0.00 0.00 56.93 55.98 2dhm s PHE 100 Cb 0.09 0.59 -0.06 0.00 -0.34 0.00 0.00 43.02 43.30 2dhm s PHE 100 CO 0.84 -0.59 0.09 0.00 -1.46 0.00 0.00 175.22 174.10 2dhm s ALA 101 N -2.98 3.36 -0.02 11.12 0.00 -1.26 -5.12 121.76 126.87 2dhm s ALA 101 Ca 0.11 -2.15 -0.23 0.00 0.00 0.00 0.00 51.96 49.69 2dhm s ALA 101 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2dhm s ALA 101 CO -0.02 -0.10 0.67 0.45 0.00 0.00 0.00 175.76 176.76 2dhm s SER 102 N -3.80 7.03 0.51 0.00 0.15 -1.26 -5.05 113.70 111.28 2dhm s SER 102 Ca 0.38 1.23 -0.21 0.00 0.70 0.00 0.00 55.95 58.05 2dhm s SER 102 Cb 0.05 -2.40 -0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2dhm s SER 102 CO 0.20 0.00 1.14 -2.16 1.20 0.00 0.00 173.24 173.63 2dhm s PRO 103 N 0.21 3.51 0.71 5.44 0.04 -1.26 -5.04 135.00 138.60 2dhm s PRO 103 Ca 0.35 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 2dhm s PRO 103 Cb -0.19 -2.16 0.18 0.00 0.04 0.00 0.00 34.50 32.37 2dhm s PRO 103 CO 0.19 -0.74 0.63 -0.35 0.04 0.00 0.00 177.00 176.77 2dhm n PRO 104 N -0.99 -2.25 -3.93 0.56 -0.04 -1.26 -5.10 135.00 121.99 2dhm n PRO 104 Ca 0.10 -1.00 -0.09 0.00 -0.04 0.00 0.00 63.50 62.47 2dhm n PRO 104 Cb 0.50 -0.94 -0.05 0.00 -0.04 0.00 0.00 33.50 32.97 2dhm n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhm s ARG 106 N -3.97 0.59 0.00 0.00 1.04 -1.26 -5.36 118.95 109.99 2dhm s ARG 106 Ca 0.18 -0.57 0.00 0.00 -1.04 0.00 0.00 55.73 54.30 2dhm s ARG 106 Cb -0.01 0.24 0.00 0.00 -2.04 0.00 0.00 34.95 33.14 2dhm s ARG 106 CO 0.06 -0.15 0.00 0.41 -0.04 0.00 0.00 175.30 175.57