#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhm n SER 2 N 0.00 5.73 -0.31 1.61 2.88 -1.26 -4.59 113.62 117.68 2dhm n SER 2 Ca 0.00 -2.66 0.17 0.00 -1.33 0.00 0.00 58.87 55.04 2dhm n SER 2 Cb 0.00 -1.16 0.34 0.00 -0.75 0.00 0.00 64.21 62.64 2dhm n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dhm h SER 3 N 1.59 0.01 0.00 -3.46 4.64 -2.16 -3.45 113.55 110.72 2dhm h SER 3 Ca 0.14 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2dhm h SER 3 Cb 1.03 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2dhm h SER 3 CO 0.32 -0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 2dhm n GLY 4 N -1.38 -0.64 3.54 -0.77 0.00 -1.26 -5.17 105.19 99.51 2dhm n GLY 4 Ca 0.25 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2dhm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhm s SER 5 N 0.00 -0.70 0.10 1.61 0.01 -1.26 -5.18 113.70 108.28 2dhm s SER 5 Ca 0.00 1.29 0.02 0.00 1.31 0.00 0.00 55.95 58.56 2dhm s SER 5 Cb 0.00 1.27 -0.04 0.00 0.21 0.00 0.00 66.02 67.46 2dhm s SER 5 CO 0.00 -0.22 -0.06 -0.44 0.41 0.00 0.00 173.24 172.93 2dhm s SER 6 N 0.63 1.09 -0.30 2.44 0.01 -1.26 -5.15 113.70 111.16 2dhm s SER 6 Ca -0.02 -1.02 -0.12 0.00 1.31 0.00 0.00 55.95 56.10 2dhm s SER 6 Cb -0.05 0.11 0.18 0.00 0.21 0.00 0.00 66.02 66.47 2dhm s SER 6 CO -0.04 -0.48 1.01 -0.83 0.41 0.00 0.00 173.24 173.31 2dhm s GLY 7 N -3.04 -0.38 -0.79 3.44 0.00 -1.26 -5.10 107.32 100.19 2dhm s GLY 7 Ca 0.12 2.72 -0.03 0.00 0.00 0.00 0.00 44.72 47.53 2dhm s GLY 7 CO -0.05 3.72 0.65 1.06 0.00 0.00 0.00 173.10 178.49 2dhm s MET 8 N 2.89 3.05 -0.04 2.90 1.00 -1.26 -4.94 119.30 122.90 2dhm s MET 8 Ca 0.01 -2.92 -0.05 0.00 0.00 0.00 0.00 55.69 52.72 2dhm s MET 8 Cb -0.10 -3.92 0.01 0.00 0.00 0.00 0.00 34.83 30.81 2dhm s MET 8 CO -0.12 -1.23 0.13 0.00 0.00 0.00 0.00 175.02 173.80 2dhm s MET 9 N -0.73 0.25 0.19 2.03 0.00 -1.26 -5.06 119.30 114.73 2dhm s MET 9 Ca 0.23 0.01 -0.21 0.00 0.00 0.00 0.00 55.69 55.72 2dhm s MET 9 Cb -0.13 0.11 0.13 0.00 0.00 0.00 0.00 34.83 34.94 2dhm s MET 9 CO -0.08 -0.05 1.58 0.82 0.00 0.00 0.00 175.02 177.29 2dhm h ILE 10 N 4.74 0.15 -0.92 3.16 1.08 -1.99 0.75 117.51 124.48 2dhm h ILE 10 Ca -0.27 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.47 2dhm h ILE 10 Cb 1.20 0.15 -0.17 0.00 -3.07 0.00 0.00 36.82 34.93 2dhm h ILE 10 CO 0.41 0.00 0.05 0.54 -0.69 0.00 0.00 178.15 178.47 2dhm n ARG 11 N -5.44 -0.07 0.35 2.37 1.74 -1.26 -0.74 116.66 113.61 2dhm n ARG 11 Ca 0.04 1.37 -0.14 0.00 -0.77 0.00 0.00 57.85 58.35 2dhm n ARG 11 Cb 0.36 -2.20 -0.07 0.00 -1.02 0.00 0.00 32.46 29.53 2dhm n ARG 11 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2dhm h GLU 12 N 0.00 -0.89 -0.99 5.56 4.39 -1.24 -2.75 114.58 118.67 2dhm h GLU 12 Ca 0.57 0.06 0.35 0.00 0.34 0.00 0.00 59.36 60.69 2dhm h GLU 12 Cb 1.22 0.20 -0.17 0.00 -0.10 0.00 0.00 28.75 29.90 2dhm h GLU 12 CO -0.85 -0.59 0.45 0.00 -1.16 0.00 0.00 179.01 176.85 2dhm h ARG 13 N -1.22 0.12 0.79 2.33 3.08 -0.54 0.53 114.38 119.46 2dhm h ARG 13 Ca -0.09 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2dhm h ARG 13 Cb 0.71 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.74 2dhm h ARG 13 CO 0.16 0.08 -0.38 0.82 -1.07 0.00 0.00 179.97 179.57 2dhm h ILE 14 N 0.12 0.00 0.88 2.04 2.04 -1.01 -2.96 117.51 118.62 2dhm h ILE 14 Ca 0.75 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 66.50 2dhm h ILE 14 Cb 1.83 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2dhm h ILE 14 CO -0.73 0.00 -0.42 -0.33 0.00 0.00 0.00 178.15 176.67 2dhm h GLU 15 N -1.13 -1.14 -1.03 2.37 5.08 -0.76 -2.20 114.58 115.77 2dhm h GLU 15 Ca -0.11 0.08 0.35 0.00 -1.00 0.00 0.00 59.36 58.68 2dhm h GLU 15 Cb 0.81 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 2dhm h GLU 15 CO 0.18 -0.76 0.66 0.39 -1.00 0.00 0.00 179.01 178.48 2dhm n GLU 16 N -5.59 -0.03 -0.05 2.33 1.02 0.17 0.92 120.64 119.41 2dhm n GLU 16 Ca -0.16 0.91 -0.09 0.00 -0.02 0.00 0.00 57.16 57.81 2dhm n GLU 16 Cb 0.47 -1.81 -0.08 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.01 -0.50 3.49 1.57 -1.29 -3.36 116.57 116.47 2dhm h LYS 17 Ca 0.65 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.52 2dhm h LYS 17 Cb 2.11 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 34.34 2dhm h LYS 17 CO -0.33 0.57 0.04 -0.07 -0.57 0.00 0.00 179.45 179.10 2dhm h LEU 18 N -0.99 -0.13 -0.75 2.94 3.38 0.12 0.46 115.31 120.34 2dhm h LEU 18 Ca -0.00 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.21 2dhm h LEU 18 Cb 0.59 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 2dhm h LEU 18 CO 0.00 -0.03 -0.24 0.54 0.09 0.00 0.00 178.44 178.80 2dhm n ARG 19 N -5.18 -0.12 0.04 1.13 1.74 0.66 0.79 116.66 115.71 2dhm n ARG 19 Ca 0.06 1.17 0.04 0.00 -0.77 0.00 0.00 57.85 58.34 2dhm n ARG 19 Cb 0.26 -1.74 -0.08 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 -3.67 2.19 0.40 7.54 0.00 -0.83 -2.17 120.51 123.97 2dhm n ALA 20 Ca 0.10 -0.51 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 2dhm n ALA 20 Cb 0.34 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 1.64 -1.23 0.00 0.00 0.00 0.52 -3.39 119.26 116.79 2dhm h ALA 21 Ca -0.12 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2dhm h ALA 21 Cb 1.39 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 2dhm h ALA 21 CO 0.03 -1.22 -1.52 1.19 0.00 0.00 0.00 179.25 177.73 2dhm n PHE 22 N -5.61 0.00 -2.61 0.00 3.72 -0.06 -5.04 117.46 107.86 2dhm n PHE 22 Ca -0.14 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.18 2dhm n PHE 22 Cb 0.49 -0.36 0.04 0.00 -0.94 0.00 0.00 39.48 38.72 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 -2.65 -2.58 0.00 -1.08 6.02 -0.92 -5.04 117.38 111.12 2dhm n GLN 23 Ca -0.15 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 2dhm n GLN 23 Cb 0.69 -4.04 0.00 0.00 1.02 0.00 0.00 30.24 27.91 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 -2.52 -0.87 -0.10 -1.09 -0.04 -1.26 -5.02 135.00 124.09 2dhm n PRO 24 Ca -0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.16 2dhm n PRO 24 Cb 0.58 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.91 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 -2.36 1.56 -4.23 0.52 0.24 -1.11 -4.98 118.33 107.97 2dhm n VAL 25 Ca 0.00 -0.57 -0.27 0.00 -2.04 0.00 0.00 64.34 61.46 2dhm n VAL 25 Cb 0.00 -1.53 -0.09 0.00 -1.47 0.00 0.00 33.84 30.76 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 -2.53 2.77 -0.27 6.34 5.36 -1.24 -5.01 117.98 123.40 2dhm s PHE 26 Ca -0.32 -0.16 -0.16 0.00 -0.96 0.00 0.00 56.93 55.33 2dhm s PHE 26 Cb 0.09 -1.36 0.08 0.00 -0.34 0.00 0.00 43.02 41.48 2dhm s PHE 26 CO 0.63 0.50 0.67 -1.17 -1.46 0.00 0.00 175.22 174.39 2dhm s LEU 27 N -2.78 -0.85 -0.30 6.12 2.96 -1.26 -3.57 118.68 119.01 2dhm s LEU 27 Ca 0.26 1.46 -0.15 0.00 -0.22 0.00 0.00 54.13 55.47 2dhm s LEU 27 Cb -0.09 2.30 0.16 0.00 0.50 0.00 0.00 46.19 49.06 2dhm s LEU 27 CO 0.17 -0.24 1.00 -0.70 -1.32 0.00 0.00 176.35 175.26 2dhm s GLU 28 N 1.51 0.31 -0.00 1.98 2.12 -0.98 -5.02 118.70 118.61 2dhm s GLU 28 Ca -0.09 0.68 0.01 0.00 0.36 0.00 0.00 54.97 55.93 2dhm s GLU 28 Cb -0.05 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 2dhm s GLU 28 CO -0.18 -0.09 0.02 0.08 -0.54 0.00 0.00 175.26 174.55 2dhm s VAL 29 N 2.03 4.29 -0.39 3.70 1.01 -1.26 -0.23 120.40 129.55 2dhm s VAL 29 Ca -0.05 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2dhm s VAL 29 Cb -0.05 -2.92 0.12 0.00 0.00 0.00 0.00 36.38 33.53 2dhm s VAL 29 CO -0.16 0.38 0.19 -0.69 0.00 0.00 0.00 175.10 174.81 2dhm s VAL 30 N -1.10 1.14 0.25 2.92 1.01 0.48 -5.00 120.40 120.10 2dhm s VAL 30 Ca 0.20 -2.12 0.09 0.00 0.00 0.00 0.00 61.98 60.15 2dhm s VAL 30 Cb -0.12 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2dhm s VAL 30 CO 0.11 -0.83 0.03 -0.62 0.00 0.00 0.00 175.10 173.78 2dhm s ASP 31 N 0.82 4.72 -0.74 3.32 2.15 -1.26 -2.07 116.67 123.61 2dhm s ASP 31 Ca 0.15 -0.55 -0.08 0.00 0.43 0.00 0.00 52.55 52.50 2dhm s ASP 31 Cb -0.22 -0.95 0.19 0.00 -0.30 0.00 0.00 42.92 41.64 2dhm s ASP 31 CO -0.07 0.01 0.62 -1.61 -0.17 0.00 0.00 175.17 173.94 2dhm s GLU 32 N -3.60 3.11 0.33 4.34 0.41 -1.24 -5.06 118.70 116.98 2dhm s GLU 32 Ca 0.31 -2.56 -0.28 0.00 -0.41 0.00 0.00 54.97 52.03 2dhm s GLU 32 Cb -0.07 -4.08 -0.10 0.00 -1.78 0.00 0.00 34.13 28.10 2dhm s GLU 32 CO 0.20 -1.23 1.19 -1.12 -0.49 0.00 0.00 175.26 173.81 2dhm s SER 33 N 1.32 6.92 -0.06 -0.19 0.01 -1.26 -4.93 113.70 115.51 2dhm s SER 33 Ca 0.18 2.43 -0.00 0.00 1.31 0.00 0.00 55.95 59.87 2dhm s SER 33 Cb -0.15 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 2dhm s SER 33 CO -0.06 -0.40 -0.03 -0.72 0.41 0.00 0.00 173.24 172.44 2dhm s TYR 34 N -1.22 3.05 0.25 2.43 -0.85 -1.26 -5.01 117.35 114.74 2dhm s TYR 34 Ca 0.49 0.10 0.02 0.00 -0.52 0.00 0.00 57.07 57.16 2dhm s TYR 34 Cb -0.34 -1.73 0.32 0.00 0.38 0.00 0.00 41.96 40.59 2dhm s TYR 34 CO 0.44 0.42 1.64 0.07 -1.52 0.00 0.00 175.55 176.60 2dhm h ARG 35 N 5.01 0.43 -6.39 -3.49 0.11 -1.96 -3.42 114.38 104.67 2dhm h ARG 35 Ca -0.50 -0.21 -0.57 0.00 0.10 0.00 0.00 59.98 58.81 2dhm h ARG 35 Cb 1.18 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.22 2dhm h ARG 35 CO 0.54 0.76 1.06 -1.01 0.10 0.00 0.00 179.97 181.42 2dhm s HIS 36 N -4.23 2.40 0.16 4.08 3.76 -1.26 -4.91 115.29 115.29 2dhm s HIS 36 Ca -0.06 0.71 -0.29 0.00 -0.15 0.00 0.00 55.06 55.28 2dhm s HIS 36 Cb 0.13 -4.07 -0.02 0.00 1.11 0.00 0.00 32.58 29.73 2dhm s HIS 36 CO 0.80 -2.17 1.55 -0.91 -0.85 0.00 0.00 174.74 173.16 2dhm h ASN 37 N 10.33 -1.86 -1.99 1.40 4.21 -2.05 -3.42 115.58 122.20 2dhm h ASN 37 Ca -0.29 0.29 -0.61 0.00 1.21 0.00 0.00 56.30 56.90 2dhm h ASN 37 Cb 1.12 0.82 0.17 0.00 -1.12 0.00 0.00 38.32 39.31 2dhm h ASN 37 CO 1.04 -0.31 -0.99 1.33 -1.29 0.00 0.00 177.43 177.22 2dhm n VAL 38 N -5.34 0.47 -2.04 2.81 0.24 -1.26 -4.73 118.33 108.47 2dhm n VAL 38 Ca 0.01 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.50 2dhm n VAL 38 Cb 0.32 -0.08 -0.04 0.00 -1.47 0.00 0.00 33.84 32.56 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 -1.12 2.58 0.37 7.34 0.04 -1.26 -4.96 135.00 137.99 2dhm s PRO 39 Ca 0.59 0.04 0.05 0.00 0.04 0.00 0.00 61.00 61.72 2dhm s PRO 39 Cb -0.54 -4.81 -0.01 0.00 0.04 0.00 0.00 34.50 29.18 2dhm s PRO 39 CO 0.64 -3.14 0.53 0.00 0.04 0.00 0.00 177.00 175.07 2dhm s ALA 40 N 9.71 4.13 -0.48 8.56 0.00 -1.26 -5.09 121.76 137.33 2dhm s ALA 40 Ca 0.69 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 51.34 2dhm s ALA 40 Cb -0.09 -1.79 0.21 0.00 0.00 0.00 0.00 23.12 21.45 2dhm s ALA 40 CO 0.07 -0.14 0.71 0.41 0.00 0.00 0.00 175.76 176.80 2dhm n GLY 41 N -1.77 0.40 2.88 0.00 0.00 -1.26 -5.04 105.19 100.40 2dhm n GLY 41 Ca 0.01 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2dhm n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhm s SER 42 N -0.34 4.40 -1.26 1.61 0.01 -1.26 -4.78 113.70 112.09 2dhm s SER 42 Ca 0.32 -1.96 -0.07 0.00 1.31 0.00 0.00 55.95 55.54 2dhm s SER 42 Cb 0.10 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 65.06 2dhm s SER 42 CO -0.15 -0.39 1.09 -0.62 0.41 0.00 0.00 173.24 173.59 2dhm n GLU 43 N 4.47 -7.33 -3.72 12.44 -0.58 -1.26 -4.97 120.64 119.69 2dhm n GLU 43 Ca 0.02 0.79 -0.37 0.00 -0.42 0.00 0.00 57.16 57.17 2dhm n GLU 43 Cb 0.42 -5.69 -0.10 0.00 -0.57 0.00 0.00 31.44 25.49 2dhm n GLU 43 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2dhm s SER 44 N -3.47 5.32 0.35 1.62 0.15 -1.26 -5.05 113.70 111.36 2dhm s SER 44 Ca 0.46 -2.49 0.01 0.00 0.70 0.00 0.00 55.95 54.62 2dhm s SER 44 Cb -0.20 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 2dhm s SER 44 CO 0.69 -0.46 0.55 -2.28 1.20 0.00 0.00 173.24 172.94 2dhm s HIS 45 N 0.47 3.47 -0.06 3.44 2.46 -1.26 -4.92 115.29 118.88 2dhm s HIS 45 Ca 0.13 0.31 0.03 0.00 0.47 0.00 0.00 55.06 56.00 2dhm s HIS 45 Cb -0.21 -1.91 0.01 0.00 -0.13 0.00 0.00 32.58 30.33 2dhm s HIS 45 CO -0.04 0.10 -0.14 0.12 -2.47 0.00 0.00 174.74 172.31 2dhm s PHE 46 N -2.32 1.60 -0.04 3.88 2.19 -1.26 -3.70 117.98 118.33 2dhm s PHE 46 Ca 0.40 -0.55 -0.03 0.00 0.33 0.00 0.00 56.93 57.08 2dhm s PHE 46 Cb -0.10 -1.13 0.02 0.00 -1.31 0.00 0.00 43.02 40.50 2dhm s PHE 46 CO 0.36 -0.25 0.11 0.21 1.83 0.00 0.00 175.22 177.48 2dhm s LYS 47 N 0.43 0.11 -0.04 10.12 2.36 -0.88 -1.70 119.74 130.14 2dhm s LYS 47 Ca -0.11 0.19 0.04 0.00 -2.55 0.00 0.00 55.97 53.53 2dhm s LYS 47 Cb -0.14 0.00 0.00 0.00 -1.05 0.00 0.00 37.83 36.64 2dhm s LYS 47 CO 0.04 -0.05 -0.15 0.08 1.55 0.00 0.00 175.35 176.82 2dhm s VAL 48 N 0.31 1.25 -0.12 4.02 1.01 -1.23 -0.39 120.40 125.25 2dhm s VAL 48 Ca -0.02 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 2dhm s VAL 48 Cb -0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2dhm s VAL 48 CO -0.01 0.37 -0.00 -0.69 0.00 0.00 0.00 175.10 174.76 2dhm s VAL 49 N 0.18 4.23 -0.29 2.92 1.01 0.68 -1.92 120.40 127.21 2dhm s VAL 49 Ca -0.06 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2dhm s VAL 49 Cb -0.12 -2.82 0.18 0.00 0.00 0.00 0.00 36.38 33.62 2dhm s VAL 49 CO 0.02 0.54 0.54 -0.22 0.00 0.00 0.00 175.10 175.99 2dhm s LEU 50 N -0.27 -1.27 -0.18 3.92 0.20 -1.21 -2.32 118.68 117.55 2dhm s LEU 50 Ca 0.06 0.42 -0.22 0.00 0.69 0.00 0.00 54.13 55.08 2dhm s LEU 50 Cb -0.12 1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 47.45 2dhm s LEU 50 CO 0.02 -0.29 0.69 -0.69 -0.29 0.00 0.00 176.35 175.79 2dhm s VAL 51 N 2.76 4.98 0.04 1.68 1.01 -1.23 -3.18 120.40 126.46 2dhm s VAL 51 Ca 0.15 1.33 -0.27 0.00 0.00 0.00 0.00 61.98 63.18 2dhm s VAL 51 Cb -0.13 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.33 2dhm s VAL 51 CO -0.23 0.09 0.88 -0.55 0.00 0.00 0.00 175.10 175.30 2dhm s SER 52 N 1.16 -0.34 -0.04 3.32 0.15 -0.54 -2.74 113.70 114.67 2dhm s SER 52 Ca 0.32 -0.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.85 2dhm s SER 52 Cb -0.16 0.42 -0.27 0.00 -1.71 0.00 0.00 66.02 64.31 2dhm s SER 52 CO 0.11 -0.71 0.68 -2.24 1.20 0.00 0.00 173.24 172.28 2dhm h ASP 53 N 2.00 0.36 -0.20 5.45 2.03 -1.94 -3.28 116.42 120.84 2dhm h ASP 53 Ca -0.23 -0.61 0.06 0.00 -0.73 0.00 0.00 57.03 55.51 2dhm h ASP 53 Cb 1.24 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 2dhm h ASP 53 CO 0.30 1.53 0.73 0.03 -1.03 0.00 0.00 179.24 180.80 2dhm h ARG 54 N 0.06 0.00 -1.39 4.15 2.47 -1.99 0.26 114.38 117.95 2dhm h ARG 54 Ca -0.31 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.10 2dhm h ARG 54 Cb 2.03 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 30.21 2dhm h ARG 54 CO 0.13 0.00 0.40 1.19 0.56 0.00 0.00 179.97 182.25 2dhm n PHE 55 N -2.89 1.55 -1.00 3.04 3.01 -1.25 -4.99 117.46 114.93 2dhm n PHE 55 Ca 0.04 -1.78 -0.36 0.00 1.01 0.00 0.00 57.45 56.36 2dhm n PHE 55 Cb 0.82 -0.87 0.04 0.00 -0.01 0.00 0.00 39.48 39.45 2dhm n PHE 55 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 2dhm n THR 56 N 0.18 0.00 -2.46 4.37 5.66 0.91 -4.80 114.28 118.13 2dhm n THR 56 Ca 0.30 -0.49 -0.42 0.00 -3.05 0.00 0.00 64.05 60.39 2dhm n THR 56 Cb 0.70 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.48 2dhm n THR 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dhm n GLY 57 N 3.38 5.12 0.00 1.09 0.00 -1.26 -4.68 105.19 108.84 2dhm n GLY 57 Ca -0.01 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.72 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 2.35 0.00 -4.19 1.61 -0.58 -1.26 -5.08 120.64 113.48 2dhm n GLU 58 Ca 0.42 0.01 -0.29 0.00 -0.42 0.00 0.00 57.16 56.88 2dhm n GLU 58 Cb 0.32 -0.38 -0.03 0.00 -0.57 0.00 0.00 31.44 30.78 2dhm n GLU 58 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2dhm s ARG 59 N -0.73 2.24 -0.06 3.49 0.52 -1.26 -5.06 118.95 118.08 2dhm s ARG 59 Ca 0.00 -2.17 0.04 0.00 -0.52 0.00 0.00 55.73 53.08 2dhm s ARG 59 Cb 0.00 -1.90 -0.25 0.00 0.52 0.00 0.00 34.95 33.32 2dhm s ARG 59 CO 0.00 -0.55 0.59 0.35 0.02 0.00 0.00 175.30 175.71 2dhm h PHE 60 N 0.93 0.22 0.17 -0.53 3.57 -1.98 -3.39 116.94 115.94 2dhm h PHE 60 Ca -0.39 -0.16 -0.33 0.00 3.53 0.00 0.00 57.97 60.62 2dhm h PHE 60 Cb 1.31 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 40.05 2dhm h PHE 60 CO 1.19 1.32 -1.65 -0.07 -2.23 0.00 0.00 178.31 176.88 2dhm h LEU 61 N 0.03 0.55 -1.48 0.59 4.07 -1.99 -3.33 115.31 113.75 2dhm h LEU 61 Ca -0.32 -0.92 0.46 0.00 0.08 0.00 0.00 57.88 57.18 2dhm h LEU 61 Cb 2.02 -0.18 -0.12 0.00 1.08 0.00 0.00 40.66 43.45 2dhm h LEU 61 CO 0.09 1.74 0.93 0.78 -1.08 0.00 0.00 178.44 180.90 2dhm h ASN 62 N -0.02 0.20 0.00 -0.43 4.21 -1.99 0.82 115.58 118.37 2dhm h ASN 62 Ca -0.33 0.12 -0.11 0.00 1.21 0.00 0.00 56.30 57.19 2dhm h ASN 62 Cb 2.00 0.12 0.01 0.00 -1.12 0.00 0.00 38.32 39.33 2dhm h ASN 62 CO 0.14 -0.18 -0.45 -0.09 -1.29 0.00 0.00 177.43 175.56 2dhm h ARG 63 N 0.05 0.30 0.56 0.81 2.43 -1.75 -3.29 114.38 113.50 2dhm h ARG 63 Ca 0.85 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 59.66 2dhm h ARG 63 Cb 2.78 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 32.43 2dhm h ARG 63 CO -0.38 1.03 -0.27 0.45 -1.51 0.00 0.00 179.97 179.29 2dhm h HIS 64 N -0.29 -0.70 -0.95 2.20 3.86 0.24 -3.15 115.15 116.36 2dhm h HIS 64 Ca -0.06 -0.02 0.34 0.00 -1.16 0.00 0.00 60.37 59.48 2dhm h HIS 64 Cb 1.19 0.23 -0.11 0.00 1.06 0.00 0.00 27.41 29.78 2dhm h HIS 64 CO 0.16 -0.44 0.59 2.89 0.86 0.00 0.00 177.93 182.00 2dhm n ARG 65 N -5.13 -0.03 0.28 2.45 1.85 0.17 0.13 116.66 116.37 2dhm n ARG 65 Ca -0.09 0.93 -0.16 0.00 -1.00 0.00 0.00 57.85 57.53 2dhm n ARG 65 Cb 0.30 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 29.82 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 -0.66 0.47 2.89 2.86 -1.61 0.60 114.93 119.47 2dhm h MET 66 Ca 0.64 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 58.30 2dhm h MET 66 Cb 1.98 0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.80 2dhm h MET 66 CO -0.39 -0.39 -0.22 0.82 1.06 0.00 0.00 176.91 177.79 2dhm h ILE 67 N -0.82 0.46 0.11 -1.22 1.08 0.97 -3.17 117.51 114.91 2dhm h ILE 67 Ca -0.07 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 2dhm h ILE 67 Cb 0.58 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 2dhm h ILE 67 CO 0.12 0.06 -0.50 1.88 -0.69 0.00 0.00 178.15 179.02 2dhm h TYR 68 N -0.89 -1.45 -0.77 1.37 -1.99 -1.11 -1.49 116.97 110.63 2dhm h TYR 68 Ca -0.06 0.04 0.26 0.00 2.00 0.00 0.00 58.73 60.96 2dhm h TYR 68 Cb 0.58 0.62 -0.14 0.00 2.00 0.00 0.00 36.73 39.78 2dhm h TYR 68 CO 0.01 -0.56 0.18 0.45 -0.00 0.00 0.00 178.16 178.23 2dhm n SER 69 N -5.28 0.06 0.15 3.88 2.88 0.20 0.21 113.62 115.72 2dhm n SER 69 Ca -0.08 1.30 -0.14 0.00 -1.33 0.00 0.00 58.87 58.63 2dhm n SER 69 Cb 0.39 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 63.23 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 0.78 -1.01 2.46 2.02 -1.26 -3.22 112.91 112.69 2dhm h THR 70 Ca 0.55 -0.45 -0.65 0.00 0.77 0.00 0.00 66.41 66.63 2dhm h THR 70 Cb 1.28 1.03 -0.33 0.00 -1.74 0.00 0.00 68.15 68.39 2dhm h THR 70 CO -0.67 0.10 0.35 0.18 0.37 0.00 0.00 175.52 175.84 2dhm n LEU 71 N -5.15 6.81 -0.16 2.58 4.77 0.26 -4.82 117.00 121.29 2dhm n LEU 71 Ca -0.10 -4.49 -0.06 0.00 -0.03 0.00 0.00 56.01 51.34 2dhm n LEU 71 Cb 0.23 -0.78 -0.05 0.00 -2.33 0.00 0.00 43.42 40.49 2dhm n LEU 71 CO 0.33 1.70 0.49 0.00 -1.33 0.00 0.00 177.39 178.58 2dhm h ALA 72 N 2.13 -0.37 0.08 -1.18 0.00 0.25 -2.13 119.26 118.05 2dhm h ALA 72 Ca 0.53 0.04 -0.33 0.00 0.00 0.00 0.00 54.91 55.14 2dhm h ALA 72 Cb 0.98 1.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 2dhm h ALA 72 CO 1.32 -0.55 -1.82 0.39 0.00 0.00 0.00 179.25 178.59 2dhm n GLU 73 N -4.09 0.70 -0.31 0.00 -0.58 -1.26 -3.50 120.64 111.59 2dhm n GLU 73 Ca -0.00 0.35 -0.01 0.00 -0.42 0.00 0.00 57.16 57.08 2dhm n GLU 73 Cb 0.14 -1.71 0.03 0.00 -0.57 0.00 0.00 31.44 29.34 2dhm n GLU 73 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2dhm n GLU 74 N -3.76 -0.19 -0.02 3.49 -0.58 -1.21 0.35 120.64 118.71 2dhm n GLU 74 Ca -0.33 1.25 -0.17 0.00 -0.42 0.00 0.00 57.16 57.49 2dhm n GLU 74 Cb 0.94 -1.86 -0.08 0.00 -0.57 0.00 0.00 31.44 29.87 2dhm n GLU 74 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 2dhm h LEU 75 N 0.00 0.79 -2.10 -4.62 8.10 -1.58 -3.07 115.31 112.83 2dhm h LEU 75 Ca 0.28 -0.65 0.03 0.00 0.11 0.00 0.00 57.88 57.65 2dhm h LEU 75 Cb 0.48 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 40.47 2dhm h LEU 75 CO -0.81 1.31 0.32 -1.28 -4.11 0.00 0.00 178.44 173.87 2dhm h SER 76 N 0.32 0.00 0.09 0.17 0.87 -0.10 0.17 113.55 115.07 2dhm h SER 76 Ca -0.05 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2dhm h SER 76 Cb 1.32 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.24 2dhm h SER 76 CO 0.14 0.00 -0.40 0.74 -0.53 0.00 0.00 176.83 176.78 2dhm h THR 77 N 0.00 0.00 0.00 2.23 2.02 -0.51 -3.40 112.91 113.25 2dhm h THR 77 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2dhm h THR 77 Cb 0.68 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2dhm h THR 77 CO -0.00 0.00 -1.08 1.07 0.37 0.00 0.00 175.52 175.88 2dhm n THR 78 N -4.71 0.08 -2.58 3.16 5.66 -1.00 -5.01 114.28 109.88 2dhm n THR 78 Ca -0.06 -0.03 -0.43 0.00 -3.05 0.00 0.00 64.05 60.48 2dhm n THR 78 Cb 0.31 -0.80 -0.02 0.00 -1.55 0.00 0.00 70.33 68.26 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 -2.03 4.55 -0.18 1.08 1.01 0.56 -4.94 120.40 120.45 2dhm s VAL 79 Ca -0.02 1.85 -0.14 0.00 0.00 0.00 0.00 61.98 63.67 2dhm s VAL 79 Cb 0.01 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 2dhm s VAL 79 CO 0.03 -0.06 -0.16 1.57 0.00 0.00 0.00 175.10 176.48 2dhm n HIS 80 N 5.58 0.63 -4.30 5.22 -0.00 -1.26 -3.29 115.22 117.79 2dhm n HIS 80 Ca 0.11 0.27 -0.24 0.00 0.46 0.00 0.00 57.72 58.32 2dhm n HIS 80 Cb 0.47 -0.80 -0.08 0.00 -0.12 0.00 0.00 29.99 29.46 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 -2.68 3.25 -0.28 1.57 0.00 -1.26 -4.94 121.76 117.43 2dhm s ALA 81 Ca -0.24 -1.94 -0.22 0.00 0.00 0.00 0.00 51.96 49.57 2dhm s ALA 81 Cb 0.05 -0.44 0.09 0.00 0.00 0.00 0.00 23.12 22.82 2dhm s ALA 81 CO 0.37 0.06 0.82 -1.17 0.00 0.00 0.00 175.76 175.84 2dhm s LEU 82 N -3.74 -0.70 -0.95 0.00 2.96 -1.26 -4.75 118.68 110.25 2dhm s LEU 82 Ca 0.35 1.25 -0.16 0.00 -0.22 0.00 0.00 54.13 55.35 2dhm s LEU 82 Cb -0.00 2.22 0.17 0.00 0.50 0.00 0.00 46.19 49.08 2dhm s LEU 82 CO 0.20 -0.21 1.06 0.00 -1.32 0.00 0.00 176.35 176.08 2dhm s ALA 83 N 0.77 3.72 0.17 5.97 0.00 -0.69 -5.02 121.76 126.69 2dhm s ALA 83 Ca -0.03 -3.06 -0.31 0.00 0.00 0.00 0.00 51.96 48.57 2dhm s ALA 83 Cb -0.05 -3.88 -0.09 0.00 0.00 0.00 0.00 23.12 19.10 2dhm s ALA 83 CO -0.08 -2.72 1.41 -0.51 0.00 0.00 0.00 175.76 173.86 2dhm s LEU 84 N 1.62 4.39 -0.52 0.00 1.43 -1.26 -3.46 118.68 120.87 2dhm s LEU 84 Ca 0.30 2.46 0.05 0.00 -1.03 0.00 0.00 54.13 55.90 2dhm s LEU 84 Cb -0.06 -3.60 0.18 0.00 0.03 0.00 0.00 46.19 42.73 2dhm s LEU 84 CO -0.08 -0.66 0.42 1.41 0.23 0.00 0.00 176.35 177.67 2dhm n HIS 85 N 3.30 0.68 -3.76 0.29 8.25 -0.81 -4.98 115.22 118.19 2dhm n HIS 85 Ca 0.10 -3.69 -0.35 0.00 -0.26 0.00 0.00 57.72 53.51 2dhm n HIS 85 Cb 0.41 -0.10 -0.09 0.00 1.12 0.00 0.00 29.99 31.34 2dhm n HIS 85 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2dhm s THR 86 N -0.63 5.30 -0.06 1.59 -4.23 -1.26 -3.29 115.64 113.07 2dhm s THR 86 Ca 0.31 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 2dhm s THR 86 Cb 0.03 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.43 2dhm s THR 86 CO -0.18 0.43 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.80 2dhm s TYR 87 N 0.48 2.50 0.74 3.99 1.51 -1.19 -4.93 117.35 120.44 2dhm s TYR 87 Ca 0.07 -0.59 -0.11 0.00 -1.01 0.00 0.00 57.07 55.43 2dhm s TYR 87 Cb -0.12 -1.61 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 2dhm s TYR 87 CO -0.01 -0.13 1.08 0.95 -1.11 0.00 0.00 175.55 176.33 2dhm s THR 88 N -0.27 3.65 0.52 -0.71 -4.23 -1.24 -1.47 115.64 111.89 2dhm s THR 88 Ca -0.00 0.54 0.29 0.00 -1.18 0.00 0.00 61.69 61.33 2dhm s THR 88 Cb -0.13 -3.14 0.46 0.00 1.34 0.00 0.00 72.50 71.03 2dhm s THR 88 CO 0.03 -0.70 1.89 0.40 -0.54 0.00 0.00 174.62 175.70 2dhm h ILE 89 N -0.94 0.59 0.00 2.99 5.03 -1.92 -1.51 117.51 121.74 2dhm h ILE 89 Ca -0.44 -0.02 -0.01 0.00 -0.12 0.00 0.00 64.86 64.27 2dhm h ILE 89 Cb 1.22 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 35.52 2dhm h ILE 89 CO 0.54 0.01 -0.23 0.50 -0.68 0.00 0.00 178.15 178.29 2dhm h LYS 90 N 0.07 0.00 -1.38 2.37 1.63 -1.95 -2.18 116.57 115.12 2dhm h LYS 90 Ca 0.42 0.00 0.46 0.00 -0.85 0.00 0.00 60.65 60.68 2dhm h LYS 90 Cb 1.56 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 33.06 2dhm h LYS 90 CO -0.04 0.07 0.90 0.93 -3.45 0.00 0.00 179.45 177.87 2dhm h GLU 91 N -1.00 0.04 0.13 1.90 5.08 -1.83 0.43 114.58 119.33 2dhm h GLU 91 Ca -0.01 -0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 2dhm h GLU 91 Cb 0.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2dhm h GLU 91 CO -0.01 0.03 -1.40 2.35 -1.00 0.00 0.00 179.01 178.99 2dhm h TRP 92 N 0.05 0.48 -1.56 4.33 -0.00 -1.42 -0.29 115.95 117.54 2dhm h TRP 92 Ca 0.85 -0.35 0.45 0.00 -0.00 0.00 0.00 58.89 59.84 2dhm h TRP 92 Cb 2.75 -0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 31.83 2dhm h TRP 92 CO -0.01 1.55 1.28 0.93 -0.00 0.00 0.00 178.44 182.19 2dhm h GLU 93 N -0.27 0.00 0.00 2.65 4.39 0.55 -3.20 114.58 118.70 2dhm h GLU 93 Ca -0.29 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.28 2dhm h GLU 93 Cb 1.79 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 30.32 2dhm h GLU 93 CO 0.08 0.00 -0.02 0.41 -1.16 0.00 0.00 179.01 178.32 2dhm n GLY 94 N -1.83 -1.05 0.35 -3.84 0.00 -1.03 -5.01 105.19 92.77 2dhm n GLY 94 Ca 0.35 0.66 0.11 0.00 0.00 0.00 0.00 46.02 47.14 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 2.27 0.78 -0.59 0.99 5.85 -1.03 -0.68 115.31 122.90 2dhm h LEU 95 Ca -0.29 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.60 2dhm h LEU 95 Cb 1.20 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 2dhm h LEU 95 CO 0.01 0.31 0.23 0.06 -0.34 0.00 0.00 178.44 178.72 2dhm h GLN 96 N 0.79 0.41 -5.71 1.25 3.07 -1.90 -3.39 115.11 109.64 2dhm h GLN 96 Ca 0.55 -0.02 -0.59 0.00 0.09 0.00 0.00 58.65 58.67 2dhm h GLN 96 Cb 0.79 -0.09 -0.09 0.00 0.08 0.00 0.00 27.48 28.16 2dhm h GLN 96 CO -0.36 0.27 0.17 -0.51 0.09 0.00 0.00 178.83 178.50 2dhm s ASP 97 N -5.41 6.74 -0.23 0.06 1.01 -0.26 -4.95 116.67 113.62 2dhm s ASP 97 Ca -0.13 0.90 -0.16 0.00 0.71 0.00 0.00 52.55 53.87 2dhm s ASP 97 Cb 0.16 -2.37 -0.12 0.00 1.01 0.00 0.00 42.92 41.60 2dhm s ASP 97 CO 0.74 -0.30 -0.20 0.41 0.21 0.00 0.00 175.17 176.03 2dhm n THR 98 N 4.71 1.52 -1.18 -1.27 -1.04 -1.26 -4.85 114.28 110.90 2dhm n THR 98 Ca -0.00 -0.16 -0.46 0.00 -2.04 0.00 0.00 64.05 61.39 2dhm n THR 98 Cb 0.49 -2.04 -0.07 0.00 -1.82 0.00 0.00 70.33 66.90 2dhm n THR 98 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2dhm n VAL 99 N -4.36 0.00 -4.64 12.58 0.24 -1.26 -4.91 118.33 115.97 2dhm n VAL 99 Ca -0.39 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.58 2dhm n VAL 99 Cb 0.72 -0.26 -0.11 0.00 -1.47 0.00 0.00 33.84 32.72 2dhm n VAL 99 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2dhm s PHE 100 N 1.57 2.87 0.91 6.34 5.36 -1.26 -5.12 117.98 128.64 2dhm s PHE 100 Ca 0.71 -0.04 -0.12 0.00 -0.96 0.00 0.00 56.93 56.53 2dhm s PHE 100 Cb -1.01 -1.66 0.13 0.00 -0.34 0.00 0.00 43.02 40.14 2dhm s PHE 100 CO 0.53 0.31 1.09 0.00 -1.46 0.00 0.00 175.22 175.69 2dhm s ALA 101 N -0.84 1.51 0.02 11.12 0.00 -1.26 -5.08 121.76 127.23 2dhm s ALA 101 Ca 0.13 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.96 2dhm s ALA 101 Cb -0.11 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2dhm s ALA 101 CO 0.03 -2.38 -0.07 -1.12 0.00 0.00 0.00 175.76 172.22 2dhm s SER 102 N -3.50 0.76 0.51 0.00 0.01 -1.26 -5.15 113.70 105.08 2dhm s SER 102 Ca 0.64 -0.30 -0.21 0.00 1.31 0.00 0.00 55.95 57.39 2dhm s SER 102 Cb -0.18 -0.03 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 2dhm s SER 102 CO 0.57 -0.05 1.14 -2.16 0.41 0.00 0.00 173.24 173.15 2dhm s PRO 103 N -0.77 3.51 0.75 12.44 0.04 -1.26 -5.04 135.00 144.67 2dhm s PRO 103 Ca -0.03 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 2dhm s PRO 103 Cb -0.06 -2.16 0.19 0.00 0.04 0.00 0.00 34.50 32.51 2dhm s PRO 103 CO 0.00 -0.74 0.67 -0.35 0.04 0.00 0.00 177.00 176.62 2dhm n PRO 104 N -0.99 -2.32 -4.46 0.56 -0.04 -1.26 -5.08 135.00 121.40 2dhm n PRO 104 Ca 0.10 -1.07 -0.23 0.00 -0.04 0.00 0.00 63.50 62.26 2dhm n PRO 104 Cb 0.50 -1.00 -0.13 0.00 -0.04 0.00 0.00 33.50 32.83 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 4.72 -0.44 0.00 0.00 2.43 -2.08 -3.58 114.38 115.43 2dhm h ARG 106 Ca -0.42 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2dhm h ARG 106 Cb 1.17 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2dhm h ARG 106 CO 0.43 -0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.01