#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 6.63 0.98 1.61 0.15 -1.26 -4.96 113.70 116.85 2dhm s SER 2 Ca 0.00 2.72 -0.14 0.00 0.70 0.00 0.00 55.95 59.23 2dhm s SER 2 Cb 0.00 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2dhm s SER 2 CO 0.00 -0.70 0.36 -1.20 1.20 0.00 0.00 173.24 172.90 2dhm n SER 3 N 1.87 -2.10 0.00 5.45 7.64 -1.26 -4.14 113.62 121.08 2dhm n SER 3 Ca 0.05 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2dhm n SER 3 Cb 0.40 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2dhm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhm n GLY 4 N 1.56 1.82 3.58 0.23 0.00 -1.26 -4.97 105.19 106.15 2dhm n GLY 4 Ca 0.06 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.00 6.48 0.22 1.61 0.01 -1.26 -4.98 113.70 111.78 2dhm s SER 5 Ca 0.00 0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.36 2dhm s SER 5 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2dhm s SER 5 CO 0.00 -1.38 0.21 -0.94 0.41 0.00 0.00 173.24 171.54 2dhm s SER 6 N 2.80 0.23 0.30 2.44 1.04 -1.26 -4.90 113.70 114.34 2dhm s SER 6 Ca 0.42 -1.34 0.03 0.00 0.48 0.00 0.00 55.95 55.54 2dhm s SER 6 Cb -0.08 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2dhm s SER 6 CO 0.26 -0.92 0.13 -0.83 0.98 0.00 0.00 173.24 172.86 2dhm s GLY 7 N -3.15 1.98 -0.27 7.32 0.00 -1.26 -5.07 107.32 106.87 2dhm s GLY 7 Ca 0.36 -1.77 0.10 0.00 0.00 0.00 0.00 44.72 43.41 2dhm s GLY 7 CO 0.13 -1.61 1.18 1.15 0.00 0.00 0.00 173.10 173.95 2dhm n MET 8 N -0.56 2.99 -2.41 2.90 -0.00 -1.26 -5.05 117.12 113.72 2dhm n MET 8 Ca 0.00 -3.91 -0.43 0.00 -0.00 0.00 0.00 57.70 53.37 2dhm n MET 8 Cb 0.65 -2.04 -0.02 0.00 -0.00 0.00 0.00 33.22 31.81 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 -3.49 4.28 0.13 3.17 1.00 -1.26 -4.93 119.30 118.20 2dhm s MET 9 Ca 0.45 1.70 -0.23 0.00 0.00 0.00 0.00 55.69 57.62 2dhm s MET 9 Cb 0.39 -3.68 -0.03 0.00 0.00 0.00 0.00 34.83 31.51 2dhm s MET 9 CO 0.01 -0.60 1.67 0.82 0.00 0.00 0.00 175.02 176.92 2dhm h ILE 10 N 5.27 0.61 -0.94 2.53 1.08 -1.99 -2.34 117.51 121.73 2dhm h ILE 10 Ca -0.30 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.33 2dhm h ILE 10 Cb 1.13 0.61 -0.17 0.00 -3.07 0.00 0.00 36.82 35.33 2dhm h ILE 10 CO 0.93 0.00 -0.30 -1.14 -0.69 0.00 0.00 178.15 176.95 2dhm n ARG 11 N -5.29 -0.15 0.44 2.37 0.63 -1.26 -0.48 116.66 112.91 2dhm n ARG 11 Ca -0.03 1.46 -0.17 0.00 -0.92 0.00 0.00 57.85 58.18 2dhm n ARG 11 Cb 0.21 -2.17 -0.08 0.00 0.45 0.00 0.00 32.46 30.86 2dhm n ARG 11 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2dhm h GLU 12 N 0.00 -1.08 -0.96 -0.14 5.08 -1.87 -2.72 114.58 112.90 2dhm h GLU 12 Ca 0.39 0.07 0.29 0.00 -1.00 0.00 0.00 59.36 59.12 2dhm h GLU 12 Cb 0.63 0.25 -0.17 0.00 0.50 0.00 0.00 28.75 29.96 2dhm h GLU 12 CO -0.95 -0.72 0.22 0.00 -1.00 0.00 0.00 179.01 176.55 2dhm h ARG 13 N -1.28 0.08 0.52 2.33 3.08 -0.61 0.49 114.38 118.99 2dhm h ARG 13 Ca -0.11 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 2dhm h ARG 13 Cb 0.86 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 2dhm h ARG 13 CO 0.19 0.05 -0.33 0.82 -1.07 0.00 0.00 179.97 179.63 2dhm h ILE 14 N 0.08 0.00 0.89 2.04 2.04 -0.68 -2.59 117.51 119.29 2dhm h ILE 14 Ca 0.64 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.46 2dhm h ILE 14 Cb 1.42 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2dhm h ILE 14 CO -0.80 0.00 -0.49 -0.33 0.00 0.00 0.00 178.15 176.53 2dhm h GLU 15 N -0.79 -1.22 -0.97 2.37 5.08 -0.84 -2.14 114.58 116.05 2dhm h GLU 15 Ca -0.07 0.08 0.35 0.00 -1.00 0.00 0.00 59.36 58.72 2dhm h GLU 15 Cb 0.64 0.28 -0.12 0.00 0.50 0.00 0.00 28.75 30.05 2dhm h GLU 15 CO 0.07 -0.82 0.60 0.39 -1.00 0.00 0.00 179.01 178.25 2dhm n GLU 16 N -5.65 -0.03 0.04 2.33 1.02 0.16 0.43 120.64 118.94 2dhm n GLU 16 Ca -0.16 0.98 -0.07 0.00 -0.02 0.00 0.00 57.16 57.90 2dhm n GLU 16 Cb 0.52 -1.89 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 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 -0.20 -0.92 3.49 1.79 -1.03 -3.32 116.57 116.38 2dhm h LYS 17 Ca 0.66 0.01 0.24 0.00 -2.18 0.00 0.00 60.65 59.39 2dhm h LYS 17 Cb 2.03 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 32.60 2dhm h LYS 17 CO -0.42 0.08 0.41 -0.07 -1.08 0.00 0.00 179.45 178.37 2dhm h LEU 18 N -1.00 0.34 -1.00 2.94 3.38 0.62 0.54 115.31 121.12 2dhm h LEU 18 Ca -0.02 0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.25 2dhm h LEU 18 Cb 0.37 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 2dhm h LEU 18 CO 0.03 -0.04 -0.47 0.03 0.09 0.00 0.00 178.44 178.09 2dhm h ARG 19 N 0.37 -0.00 0.00 1.13 3.08 -1.04 0.11 114.38 118.03 2dhm h ARG 19 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.65 2dhm h ARG 19 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2dhm h ARG 19 CO -0.56 -0.00 -1.07 0.00 -1.07 0.00 0.00 179.97 177.27 2dhm n ALA 20 N -3.39 2.59 0.18 0.04 0.00 -0.49 -1.79 120.51 117.65 2dhm n ALA 20 Ca 0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 2dhm n ALA 20 Cb 0.35 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 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 2.04 -0.46 0.00 0.00 0.00 0.25 -3.39 119.26 117.69 2dhm h ALA 21 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dhm h ALA 21 Cb 0.98 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dhm h ALA 21 CO 0.00 -0.78 -0.94 1.19 0.00 0.00 0.00 179.25 178.73 2dhm n PHE 22 N -5.33 0.00 -2.68 0.00 3.72 -0.23 -5.03 117.46 107.91 2dhm n PHE 22 Ca -0.09 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.23 2dhm n PHE 22 Cb 0.24 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.83 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 -2.22 -3.04 0.00 -1.08 6.02 -0.74 -5.05 117.38 111.27 2dhm n GLN 23 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2dhm n GLN 23 Cb 0.47 -4.13 0.00 0.00 1.02 0.00 0.00 30.24 27.59 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 -2.56 0.22 -0.11 -1.09 -0.04 -1.26 -5.02 135.00 125.14 2dhm n PRO 24 Ca -0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.19 2dhm n PRO 24 Cb 0.58 0.00 -0.12 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 -1.29 1.31 -4.35 0.52 0.24 -1.12 -5.00 118.33 108.64 2dhm n VAL 25 Ca 0.00 -0.59 -0.28 0.00 -2.04 0.00 0.00 64.34 61.43 2dhm n VAL 25 Cb 0.00 -1.08 -0.11 0.00 -1.47 0.00 0.00 33.84 31.17 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 -2.46 2.44 -0.28 6.34 5.36 -1.25 -5.01 117.98 123.13 2dhm s PHE 26 Ca -0.25 -0.31 -0.15 0.00 -0.96 0.00 0.00 56.93 55.26 2dhm s PHE 26 Cb 0.07 -1.26 0.09 0.00 -0.34 0.00 0.00 43.02 41.58 2dhm s PHE 26 CO 0.60 0.43 0.69 -1.17 -1.46 0.00 0.00 175.22 174.31 2dhm s LEU 27 N -2.39 -0.97 -0.29 6.12 2.96 -1.26 -3.43 118.68 119.42 2dhm s LEU 27 Ca 0.19 1.52 -0.15 0.00 -0.22 0.00 0.00 54.13 55.47 2dhm s LEU 27 Cb -0.09 2.38 0.15 0.00 0.50 0.00 0.00 46.19 49.13 2dhm s LEU 27 CO 0.10 -0.24 0.97 -0.70 -1.32 0.00 0.00 176.35 175.16 2dhm s GLU 28 N 1.76 0.35 -0.03 1.98 -6.30 -0.92 -5.01 118.70 110.52 2dhm s GLU 28 Ca -0.10 0.73 0.04 0.00 -2.50 0.00 0.00 54.97 53.14 2dhm s GLU 28 Cb -0.06 0.29 -0.03 0.00 0.00 0.00 0.00 34.13 34.33 2dhm s GLU 28 CO -0.20 -0.10 -0.12 0.08 0.02 0.00 0.00 175.26 174.94 2dhm s VAL 29 N 1.95 3.22 -0.51 3.70 1.01 -1.26 0.13 120.40 128.63 2dhm s VAL 29 Ca -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2dhm s VAL 29 Cb -0.05 -2.31 0.13 0.00 0.00 0.00 0.00 36.38 34.16 2dhm s VAL 29 CO -0.16 0.52 0.33 -0.69 0.00 0.00 0.00 175.10 175.10 2dhm s VAL 30 N -0.81 3.69 -0.00 2.92 1.01 -0.02 -5.01 120.40 122.17 2dhm s VAL 30 Ca 0.13 -2.34 -0.11 0.00 0.00 0.00 0.00 61.98 59.66 2dhm s VAL 30 Cb -0.11 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2dhm s VAL 30 CO 0.02 -0.78 0.33 -0.62 0.00 0.00 0.00 175.10 174.05 2dhm s ASP 31 N 1.60 6.64 -0.14 3.32 -1.08 -1.26 -3.31 116.67 122.44 2dhm s ASP 31 Ca 0.11 0.77 0.01 0.00 -0.52 0.00 0.00 52.55 52.92 2dhm s ASP 31 Cb -0.22 -2.17 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 2dhm s ASP 31 CO -0.03 0.30 -0.18 -1.83 0.52 0.00 0.00 175.17 173.94 2dhm s GLU 32 N -1.36 3.15 0.80 4.34 4.04 -1.26 -5.10 118.70 123.31 2dhm s GLU 32 Ca 0.25 -0.79 -0.05 0.00 0.04 0.00 0.00 54.97 54.42 2dhm s GLU 32 Cb -0.15 -2.54 0.16 0.00 0.02 0.00 0.00 34.13 31.62 2dhm s GLU 32 CO 0.13 0.03 1.10 -1.54 -1.84 0.00 0.00 175.26 173.14 2dhm s SER 33 N 0.75 3.90 0.30 0.83 1.04 -1.26 -5.00 113.70 114.26 2dhm s SER 33 Ca -0.07 -0.25 -0.30 0.00 0.48 0.00 0.00 55.95 55.81 2dhm s SER 33 Cb -0.16 0.01 -0.11 0.00 0.10 0.00 0.00 66.02 65.86 2dhm s SER 33 CO 0.00 -2.18 1.60 -0.31 0.98 0.00 0.00 173.24 173.33 2dhm s TYR 34 N -3.38 2.71 -0.08 5.02 1.51 -1.26 -4.91 117.35 116.96 2dhm s TYR 34 Ca 0.69 0.79 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 2dhm s TYR 34 Cb -0.04 -4.09 -0.05 0.00 -0.11 0.00 0.00 41.96 37.67 2dhm s TYR 34 CO 0.47 -3.63 -0.07 0.54 -1.11 0.00 0.00 175.55 171.75 2dhm n ARG 35 N 2.02 0.20 -4.19 -0.62 1.74 -1.26 -5.04 116.66 109.51 2dhm n ARG 35 Ca 0.08 0.05 -0.28 0.00 -0.77 0.00 0.00 57.85 56.92 2dhm n ARG 35 Cb 0.37 -1.13 -0.08 0.00 -1.02 0.00 0.00 32.46 30.59 2dhm n ARG 35 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2dhm s HIS 36 N -2.16 2.86 0.03 -1.55 3.76 -1.26 -5.04 115.29 111.93 2dhm s HIS 36 Ca -0.11 -0.11 -0.21 0.00 -0.15 0.00 0.00 55.06 54.48 2dhm s HIS 36 Cb 0.03 -1.44 -0.15 0.00 1.11 0.00 0.00 32.58 32.13 2dhm s HIS 36 CO 0.18 0.48 1.36 -2.95 -0.85 0.00 0.00 174.74 172.96 2dhm h ASN 37 N 3.15 0.29 -2.65 1.40 7.08 -2.05 -3.45 115.58 119.35 2dhm h ASN 37 Ca -0.48 -0.45 -0.59 0.00 -3.08 0.00 0.00 56.30 51.70 2dhm h ASN 37 Cb 1.18 -0.08 0.16 0.00 -2.08 0.00 0.00 38.32 37.50 2dhm h ASN 37 CO 0.57 0.68 -0.38 1.33 -2.08 0.00 0.00 177.43 177.54 2dhm n VAL 38 N -4.65 1.96 -2.16 6.14 0.24 -1.26 -4.86 118.33 113.74 2dhm n VAL 38 Ca -0.06 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.31 2dhm n VAL 38 Cb 0.31 -0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.80 4.24 -0.30 7.34 0.04 -1.26 -5.00 135.00 138.25 2dhm s PRO 39 Ca 0.65 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.69 2dhm s PRO 39 Cb -0.53 -3.71 0.04 0.00 0.04 0.00 0.00 34.50 30.35 2dhm s PRO 39 CO 0.57 -0.68 0.01 0.00 0.04 0.00 0.00 177.00 176.94 2dhm s ALA 40 N 3.00 2.84 -0.34 8.56 0.00 -1.26 -4.97 121.76 129.59 2dhm s ALA 40 Ca 0.66 -1.70 0.14 0.00 0.00 0.00 0.00 51.96 51.06 2dhm s ALA 40 Cb -0.31 -1.96 0.46 0.00 0.00 0.00 0.00 23.12 21.30 2dhm s ALA 40 CO 0.26 -1.20 1.05 0.41 0.00 0.00 0.00 175.76 176.28 2dhm n GLY 41 N 4.67 3.34 0.78 0.00 0.00 -1.26 -4.87 105.19 107.84 2dhm n GLY 41 Ca -0.14 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.05 2dhm n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dhm n SER 42 N -0.35 1.27 -4.19 1.61 2.88 -1.26 -5.10 113.62 108.48 2dhm n SER 42 Ca 0.21 0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.79 2dhm n SER 42 Cb 0.79 -0.43 -0.11 0.00 -0.75 0.00 0.00 64.21 63.71 2dhm n SER 42 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2dhm s GLU 43 N -2.18 0.88 -0.47 -1.46 -1.05 -1.26 -5.12 118.70 108.05 2dhm s GLU 43 Ca -0.08 -1.22 0.03 0.00 -0.15 0.00 0.00 54.97 53.55 2dhm s GLU 43 Cb 0.01 -0.52 0.14 0.00 -0.44 0.00 0.00 34.13 33.32 2dhm s GLU 43 CO 0.11 0.07 0.27 -1.12 0.95 0.00 0.00 175.26 175.55 2dhm s SER 44 N -2.61 3.68 -0.15 0.83 0.01 -1.26 -5.09 113.70 109.10 2dhm s SER 44 Ca 0.08 -2.80 -0.39 0.00 1.31 0.00 0.00 55.95 54.15 2dhm s SER 44 Cb -0.01 -1.11 -0.16 0.00 0.21 0.00 0.00 66.02 64.95 2dhm s SER 44 CO -0.00 -0.24 1.64 1.57 0.41 0.00 0.00 173.24 176.62 2dhm n HIS 45 N 3.31 1.94 -3.69 2.43 -0.00 -1.26 -4.82 115.22 113.13 2dhm n HIS 45 Ca 0.11 0.51 -0.13 0.00 0.46 0.00 0.00 57.72 58.66 2dhm n HIS 45 Cb 0.35 -2.45 -0.09 0.00 -0.12 0.00 0.00 29.99 27.69 2dhm n HIS 45 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 2dhm s PHE 46 N 2.69 -0.57 -0.02 1.57 5.36 -1.26 -4.39 117.98 121.35 2dhm s PHE 46 Ca 0.94 1.40 -0.07 0.00 -0.96 0.00 0.00 56.93 58.23 2dhm s PHE 46 Cb -0.99 0.20 0.01 0.00 -0.34 0.00 0.00 43.02 41.89 2dhm s PHE 46 CO 0.59 -0.28 0.16 0.21 -1.46 0.00 0.00 175.22 174.44 2dhm s LYS 47 N 0.26 0.40 -0.00 10.12 2.20 -1.21 -2.47 119.74 129.04 2dhm s LYS 47 Ca -0.00 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 2dhm s LYS 47 Cb -0.04 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 2dhm s LYS 47 CO 0.01 -0.09 -0.00 0.08 -0.36 0.00 0.00 175.35 174.99 2dhm s VAL 48 N -0.84 0.01 -0.11 4.02 1.01 -1.20 -0.84 120.40 122.44 2dhm s VAL 48 Ca -0.09 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2dhm s VAL 48 Cb -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 36.38 36.29 2dhm s VAL 48 CO 0.01 0.01 -0.13 -0.69 0.00 0.00 0.00 175.10 174.30 2dhm s VAL 49 N 0.01 3.06 -0.26 2.92 1.01 0.12 -2.33 120.40 124.93 2dhm s VAL 49 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2dhm s VAL 49 Cb -0.00 -2.27 0.15 0.00 0.00 0.00 0.00 36.38 34.26 2dhm s VAL 49 CO -0.00 0.54 0.43 -0.22 0.00 0.00 0.00 175.10 175.84 2dhm s LEU 50 N 0.14 -0.82 -0.14 3.92 0.20 -1.23 -2.16 118.68 118.59 2dhm s LEU 50 Ca -0.07 0.17 -0.18 0.00 0.69 0.00 0.00 54.13 54.74 2dhm s LEU 50 Cb -0.15 1.30 -0.04 0.00 -0.43 0.00 0.00 46.19 46.87 2dhm s LEU 50 CO 0.05 -0.31 0.50 -0.69 -0.29 0.00 0.00 176.35 175.61 2dhm s VAL 51 N 2.60 5.16 -0.10 1.68 1.01 -1.22 -3.65 120.40 125.88 2dhm s VAL 51 Ca 0.13 0.97 -0.24 0.00 0.00 0.00 0.00 61.98 62.84 2dhm s VAL 51 Cb -0.14 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.46 2dhm s VAL 51 CO -0.20 0.28 0.57 -0.55 0.00 0.00 0.00 175.10 175.19 2dhm s SER 52 N 0.80 -0.54 0.29 3.32 0.15 -0.88 -2.79 113.70 114.04 2dhm s SER 52 Ca 0.26 0.73 0.03 0.00 0.70 0.00 0.00 55.95 57.67 2dhm s SER 52 Cb -0.15 0.70 0.43 0.00 -1.71 0.00 0.00 66.02 65.29 2dhm s SER 52 CO 0.10 -0.44 1.72 -2.24 1.20 0.00 0.00 173.24 173.58 2dhm h ASP 53 N 3.90 0.42 -0.78 5.45 2.03 -1.97 -2.84 116.42 122.63 2dhm h ASP 53 Ca -0.28 -0.15 0.23 0.00 -0.73 0.00 0.00 57.03 56.10 2dhm h ASP 53 Cb 1.16 -0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 39.51 2dhm h ASP 53 CO 0.31 0.71 0.86 0.03 -1.03 0.00 0.00 179.24 180.12 2dhm h ARG 54 N 0.37 0.00 -1.13 4.15 2.47 -1.96 0.70 114.38 118.98 2dhm h ARG 54 Ca 0.05 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.49 2dhm h ARG 54 Cb 0.70 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.87 2dhm h ARG 54 CO 0.05 0.00 0.35 1.19 0.56 0.00 0.00 179.97 182.13 2dhm n PHE 55 N -3.50 1.53 -1.89 3.04 3.72 -1.07 -4.74 117.46 114.55 2dhm n PHE 55 Ca 0.17 -1.38 -0.26 0.00 -0.05 0.00 0.00 57.45 55.92 2dhm n PHE 55 Cb 1.12 -0.69 -0.07 0.00 -0.94 0.00 0.00 39.48 38.89 2dhm n PHE 55 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2dhm n THR 56 N -0.15 1.47 -4.24 4.37 5.66 0.24 -4.16 114.28 117.47 2dhm n THR 56 Ca 0.30 -1.52 -0.33 0.00 -3.05 0.00 0.00 64.05 59.45 2dhm n THR 56 Cb 0.95 -2.14 -0.09 0.00 -1.55 0.00 0.00 70.33 67.51 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 5.79 -0.21 0.05 1.09 0.00 -1.26 -4.85 105.19 105.80 2dhm n GLY 57 Ca 0.44 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.58 2dhm n GLY 57 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dhm h GLU 58 N -1.30 0.00 -3.07 1.61 4.39 -1.86 -3.50 114.58 110.86 2dhm h GLU 58 Ca -0.59 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.14 2dhm h GLU 58 Cb 1.30 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.87 2dhm h GLU 58 CO 0.72 0.00 0.19 1.03 -1.16 0.00 0.00 179.01 179.79 2dhm s ARG 59 N -1.63 1.60 -0.08 2.33 0.52 -1.26 -5.04 118.95 115.39 2dhm s ARG 59 Ca -0.04 -0.86 0.06 0.00 -0.52 0.00 0.00 55.73 54.37 2dhm s ARG 59 Cb 0.01 0.59 -0.24 0.00 0.52 0.00 0.00 34.95 35.82 2dhm s ARG 59 CO 0.06 -0.72 0.52 0.34 0.02 0.00 0.00 175.30 175.52 2dhm n PHE 60 N -0.42 1.05 0.06 -0.53 7.35 -1.26 -4.14 117.46 119.56 2dhm n PHE 60 Ca -0.08 0.31 -0.23 0.00 -0.76 0.00 0.00 57.45 56.70 2dhm n PHE 60 Cb 0.61 -1.17 -0.15 0.00 0.35 0.00 0.00 39.48 39.12 2dhm n PHE 60 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dhm h LEU 61 N 0.03 0.58 -1.98 -2.13 3.38 -2.02 -3.32 115.31 109.85 2dhm h LEU 61 Ca -0.35 -0.94 0.02 0.00 0.09 0.00 0.00 57.88 56.70 2dhm h LEU 61 Cb 2.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 2dhm h LEU 61 CO 0.08 1.81 0.36 -0.55 0.09 0.00 0.00 178.44 180.23 2dhm h ASN 62 N 0.10 0.00 0.65 -0.43 -1.07 -1.97 0.45 115.58 113.31 2dhm h ASN 62 Ca -0.36 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 55.91 2dhm h ASN 62 Cb 2.09 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 38.32 2dhm h ASN 62 CO 0.16 0.00 -0.45 0.08 0.07 0.00 0.00 177.43 177.29 2dhm h ARG 63 N 0.00 0.00 0.05 4.14 0.11 -1.72 -3.03 114.38 113.93 2dhm h ARG 63 Ca 0.04 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.81 2dhm h ARG 63 Cb 0.76 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.80 2dhm h ARG 63 CO -0.00 0.45 -1.73 -2.39 0.10 0.00 0.00 179.97 176.40 2dhm n HIS 64 N -3.74 0.97 -0.32 4.08 1.44 0.15 -3.72 115.22 114.08 2dhm n HIS 64 Ca -0.01 0.31 0.15 0.00 -2.01 0.00 0.00 57.72 56.16 2dhm n HIS 64 Cb 0.51 -1.11 0.34 0.00 0.12 0.00 0.00 29.99 29.85 2dhm n HIS 64 CO 0.00 0.00 0.00 0.07 -2.81 0.00 0.00 176.34 173.60 2dhm h ARG 65 N -0.53 0.43 0.11 -1.40 0.11 -1.42 0.43 114.38 112.11 2dhm h ARG 65 Ca -0.42 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.63 2dhm h ARG 65 Cb 1.65 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.63 2dhm h ARG 65 CO -0.11 0.28 -0.05 0.52 0.10 0.00 0.00 179.97 180.71 2dhm h MET 66 N 0.44 -0.14 0.89 0.08 2.86 -1.71 -2.31 114.93 115.04 2dhm h MET 66 Ca 0.60 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 58.20 2dhm h MET 66 Cb 1.15 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.85 2dhm h MET 66 CO -0.52 0.22 -0.43 0.82 1.06 0.00 0.00 176.91 178.05 2dhm h ILE 67 N -0.52 0.00 -0.64 -1.22 1.08 -1.24 -3.15 117.51 111.82 2dhm h ILE 67 Ca -0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 2dhm h ILE 67 Cb 0.42 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.06 2dhm h ILE 67 CO 0.02 0.00 -0.39 1.88 -0.69 0.00 0.00 178.15 178.98 2dhm h TYR 68 N -1.21 -1.10 -0.84 1.37 -1.99 -0.32 0.87 116.97 113.76 2dhm h TYR 68 Ca -0.12 0.08 0.24 0.00 2.00 0.00 0.00 58.73 60.93 2dhm h TYR 68 Cb 0.93 0.57 -0.16 0.00 2.00 0.00 0.00 36.73 40.08 2dhm h TYR 68 CO 0.02 -0.40 0.06 0.45 -0.00 0.00 0.00 178.16 178.29 2dhm n SER 69 N -5.42 -0.06 0.41 3.88 2.88 -0.87 0.23 113.62 114.67 2dhm n SER 69 Ca 0.04 1.42 -0.16 0.00 -1.33 0.00 0.00 58.87 58.83 2dhm n SER 69 Cb 0.36 -0.53 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 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 0.00 -0.79 2.46 2.02 -0.82 -3.15 112.91 112.62 2dhm h THR 70 Ca 0.53 -0.14 -0.50 0.00 0.77 0.00 0.00 66.41 67.07 2dhm h THR 70 Cb 1.14 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 67.31 2dhm h THR 70 CO -0.77 0.00 0.64 0.18 0.37 0.00 0.00 175.52 175.94 2dhm n LEU 71 N -5.20 6.82 -0.12 2.58 4.77 0.49 -4.75 117.00 121.58 2dhm n LEU 71 Ca -0.13 -3.66 -0.03 0.00 -0.03 0.00 0.00 56.01 52.16 2dhm n LEU 71 Cb 0.41 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2dhm n LEU 71 CO 0.31 1.23 0.45 0.00 -1.33 0.00 0.00 177.39 178.06 2dhm n ALA 72 N -0.55 -0.18 -0.01 -1.18 0.00 0.64 -1.73 120.51 117.49 2dhm n ALA 72 Ca 0.49 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.96 2dhm n ALA 72 Cb 0.90 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 20.49 2dhm n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dhm n GLU 73 N -3.60 0.75 -0.33 0.00 4.71 -1.26 -3.53 120.64 117.38 2dhm n GLU 73 Ca 0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 2dhm n GLU 73 Cb 0.07 -1.69 0.05 0.00 -1.01 0.00 0.00 31.44 28.86 2dhm n GLU 73 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2dhm n GLU 74 N -3.45 -0.18 0.02 3.49 -0.58 -1.17 0.04 120.64 118.80 2dhm n GLU 74 Ca -0.33 1.33 -0.19 0.00 -0.42 0.00 0.00 57.16 57.56 2dhm n GLU 74 Cb 1.04 -1.98 -0.10 0.00 -0.57 0.00 0.00 31.44 29.83 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 -2.08 -4.62 8.10 -1.53 -3.15 115.31 112.82 2dhm h LEU 75 Ca 0.32 -0.73 0.05 0.00 0.11 0.00 0.00 57.88 57.62 2dhm h LEU 75 Cb 0.54 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 2dhm h LEU 75 CO -0.86 1.42 0.33 -1.28 -4.11 0.00 0.00 178.44 173.94 2dhm h SER 76 N 0.24 0.00 -0.00 0.17 0.87 -0.35 0.47 113.55 114.95 2dhm h SER 76 Ca -0.11 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2dhm h SER 76 Cb 1.54 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.47 2dhm h SER 76 CO 0.17 0.00 -0.34 0.74 -0.53 0.00 0.00 176.83 176.87 2dhm h THR 77 N 0.00 0.00 0.00 2.23 2.02 -0.45 -3.39 112.91 113.32 2dhm h THR 77 Ca 0.08 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 2dhm h THR 77 Cb 0.74 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2dhm h THR 77 CO -0.00 0.00 -1.17 1.07 0.37 0.00 0.00 175.52 175.79 2dhm n THR 78 N -4.38 0.17 -3.13 3.16 5.66 -1.02 -5.04 114.28 109.70 2dhm n THR 78 Ca -0.05 -0.08 -0.35 0.00 -3.05 0.00 0.00 64.05 60.52 2dhm n THR 78 Cb 0.25 -0.76 -0.06 0.00 -1.55 0.00 0.00 70.33 68.22 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 -2.06 4.63 0.04 1.08 1.01 0.16 -4.99 120.40 120.27 2dhm s VAL 79 Ca -0.03 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2dhm s VAL 79 Cb 0.01 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2dhm s VAL 79 CO 0.08 0.09 0.00 1.57 0.00 0.00 0.00 175.10 176.84 2dhm n HIS 80 N 0.40 -0.15 -4.59 5.22 -0.00 -1.26 -3.17 115.22 111.67 2dhm n HIS 80 Ca -0.01 0.03 -0.33 0.00 0.46 0.00 0.00 57.72 57.86 2dhm n HIS 80 Cb 0.52 0.09 -0.11 0.00 -0.12 0.00 0.00 29.99 30.37 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 2.99 -0.09 1.57 0.00 -1.26 -4.98 121.76 117.98 2dhm s ALA 81 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 2dhm s ALA 81 Cb 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.95 2dhm s ALA 81 CO 0.00 0.58 0.24 -1.17 0.00 0.00 0.00 175.76 175.41 2dhm s LEU 82 N -0.95 0.88 -0.80 0.00 2.96 -1.26 -4.59 118.68 114.92 2dhm s LEU 82 Ca 0.13 0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 54.35 2dhm s LEU 82 Cb -0.11 0.78 0.14 0.00 0.50 0.00 0.00 46.19 47.50 2dhm s LEU 82 CO 0.03 -0.11 0.91 0.00 -1.32 0.00 0.00 176.35 175.86 2dhm s ALA 83 N 0.50 3.55 0.24 5.97 0.00 -1.03 -5.03 121.76 125.96 2dhm s ALA 83 Ca -0.03 -2.71 -0.30 0.00 0.00 0.00 0.00 51.96 48.92 2dhm s ALA 83 Cb -0.05 -3.76 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 2dhm s ALA 83 CO -0.03 -2.62 1.15 -0.51 0.00 0.00 0.00 175.76 173.76 2dhm s LEU 84 N 2.12 4.50 -0.60 0.00 1.43 -1.26 -3.28 118.68 121.60 2dhm s LEU 84 Ca 0.23 2.28 0.05 0.00 -1.03 0.00 0.00 54.13 55.66 2dhm s LEU 84 Cb -0.12 -3.62 0.19 0.00 0.03 0.00 0.00 46.19 42.66 2dhm s LEU 84 CO -0.04 -0.26 0.49 1.41 0.23 0.00 0.00 176.35 178.18 2dhm n HIS 85 N 1.69 1.95 -2.94 0.29 8.25 -0.98 -4.99 115.22 118.48 2dhm n HIS 85 Ca 0.01 -3.97 -0.41 0.00 -0.26 0.00 0.00 57.72 53.09 2dhm n HIS 85 Cb 0.45 -0.36 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.19 4.90 0.34 1.59 -4.23 -1.26 -3.50 115.64 112.30 2dhm s THR 86 Ca 0.30 1.52 0.06 0.00 -1.18 0.00 0.00 61.69 62.40 2dhm s THR 86 Cb 0.02 -4.09 -0.07 0.00 1.34 0.00 0.00 72.50 69.70 2dhm s THR 86 CO -0.15 0.03 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.64 2dhm s TYR 87 N 2.20 2.21 0.30 3.99 1.51 -1.24 -5.01 117.35 121.31 2dhm s TYR 87 Ca 0.36 -0.73 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 2dhm s TYR 87 Cb -0.16 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 2dhm s TYR 87 CO 0.11 0.31 0.21 0.95 -1.11 0.00 0.00 175.55 176.02 2dhm s THR 88 N -2.93 3.82 0.12 -0.71 -4.23 -1.26 -2.07 115.64 108.38 2dhm s THR 88 Ca 0.34 -1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 59.08 2dhm s THR 88 Cb 0.07 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 2dhm s THR 88 CO 0.16 -0.26 1.59 0.40 -0.54 0.00 0.00 174.62 175.96 2dhm h ILE 89 N 1.43 0.15 0.03 2.99 5.03 -1.96 -1.07 117.51 124.11 2dhm h ILE 89 Ca -0.46 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.28 2dhm h ILE 89 Cb 1.25 0.15 -0.00 0.00 -3.03 0.00 0.00 36.82 35.19 2dhm h ILE 89 CO 0.60 0.00 -0.03 0.11 -0.68 0.00 0.00 178.15 178.15 2dhm h LYS 90 N -0.55 -0.06 -0.85 2.37 1.79 -1.99 0.75 116.57 118.02 2dhm h LYS 90 Ca 0.05 0.00 0.33 0.00 -2.18 0.00 0.00 60.65 58.86 2dhm h LYS 90 Cb 0.65 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 31.15 2dhm h LYS 90 CO -0.33 -0.04 0.38 0.39 -1.08 0.00 0.00 179.45 178.77 2dhm n GLU 91 N -2.50 -0.05 -0.10 3.15 4.71 -1.19 0.23 120.64 124.88 2dhm n GLU 91 Ca -0.01 1.19 -0.13 0.00 -0.01 0.00 0.00 57.16 58.20 2dhm n GLU 91 Cb 0.03 -2.09 -0.04 0.00 -1.01 0.00 0.00 31.44 28.33 2dhm n GLU 91 CO 0.00 0.00 0.00 2.35 0.09 0.00 0.00 177.13 179.57 2dhm h TRP 92 N 0.00 0.96 -1.48 -0.32 -0.00 -0.62 0.31 115.95 114.80 2dhm h TRP 92 Ca 0.68 -0.29 0.43 0.00 -0.00 0.00 0.00 58.89 59.72 2dhm h TRP 92 Cb 1.76 -0.20 -0.07 0.00 -0.00 0.00 0.00 29.16 30.65 2dhm h TRP 92 CO -0.08 1.07 1.05 0.93 -0.00 0.00 0.00 178.44 181.41 2dhm h GLU 93 N 0.57 0.03 -0.46 2.65 5.08 0.53 -2.96 114.58 120.02 2dhm h GLU 93 Ca 0.05 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.12 2dhm h GLU 93 Cb 0.92 -0.01 -0.22 0.00 0.50 0.00 0.00 28.75 29.94 2dhm h GLU 93 CO 0.08 0.02 -0.63 0.41 -1.00 0.00 0.00 179.01 177.90 2dhm n GLY 94 N -1.78 1.41 0.41 -3.84 0.00 -1.14 -5.00 105.19 95.25 2dhm n GLY 94 Ca 0.34 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 2.76 -1.13 0.00 0.99 6.46 -0.76 -3.37 115.31 120.26 2dhm h LEU 95 Ca -0.11 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2dhm h LEU 95 Cb 1.13 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 2dhm h LEU 95 CO 0.18 -0.56 -0.07 -0.61 -0.62 0.00 0.00 178.44 176.77 2dhm h GLN 96 N -0.85 0.00 -6.89 1.25 4.15 -1.89 -3.46 115.11 107.42 2dhm h GLN 96 Ca -0.06 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.85 2dhm h GLN 96 Cb 0.73 0.00 0.06 0.00 0.21 0.00 0.00 27.48 28.48 2dhm h GLN 96 CO -0.03 0.00 0.58 0.34 -1.93 0.00 0.00 178.83 177.78 2dhm s ASP 97 N -4.66 6.73 -0.06 -0.69 -1.08 -1.26 -5.03 116.67 110.62 2dhm s ASP 97 Ca -0.02 2.54 -0.01 0.00 -0.52 0.00 0.00 52.55 54.54 2dhm s ASP 97 Cb 0.00 -2.64 0.03 0.00 -1.46 0.00 0.00 42.92 38.85 2dhm s ASP 97 CO 0.03 -0.55 0.01 0.42 0.52 0.00 0.00 175.17 175.60 2dhm s THR 98 N -1.22 0.28 -0.03 1.71 -4.23 -1.26 -4.52 115.64 106.37 2dhm s THR 98 Ca 0.51 0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 61.00 2dhm s THR 98 Cb -0.36 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.98 2dhm s THR 98 CO 0.47 0.23 0.51 -0.69 -0.54 0.00 0.00 174.62 174.61 2dhm s VAL 99 N 1.85 5.01 -1.08 2.29 1.01 -1.26 -4.98 120.40 123.25 2dhm s VAL 99 Ca 0.03 1.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.81 2dhm s VAL 99 Cb -0.12 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 2dhm s VAL 99 CO -0.04 0.44 2.01 0.12 0.00 0.00 0.00 175.10 177.63 2dhm s PHE 100 N -0.22 1.70 -0.56 5.22 2.19 -1.26 -4.86 117.98 120.20 2dhm s PHE 100 Ca 0.27 1.02 -0.04 0.00 0.33 0.00 0.00 56.93 58.51 2dhm s PHE 100 Cb -0.17 -3.82 0.15 0.00 -1.31 0.00 0.00 43.02 37.87 2dhm s PHE 100 CO 0.14 -1.22 0.38 0.00 1.83 0.00 0.00 175.22 176.35 2dhm s ALA 101 N 12.44 3.47 -0.56 11.12 0.00 -1.26 -4.98 121.76 141.98 2dhm s ALA 101 Ca 0.73 -2.99 0.05 0.00 0.00 0.00 0.00 51.96 49.76 2dhm s ALA 101 Cb -0.04 -2.65 0.18 0.00 0.00 0.00 0.00 23.12 20.62 2dhm s ALA 101 CO 0.11 -2.01 0.46 0.43 0.00 0.00 0.00 175.76 174.75 2dhm n SER 102 N 3.96 1.45 -4.77 0.00 7.64 -1.26 -5.11 113.62 115.53 2dhm n SER 102 Ca 0.04 -2.86 -0.35 0.00 1.01 0.00 0.00 58.87 56.71 2dhm n SER 102 Cb 0.40 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.94 3.38 0.54 1.43 0.04 -1.26 -5.01 135.00 133.19 2dhm s PRO 103 Ca 0.30 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 2dhm s PRO 103 Cb 0.03 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2dhm s PRO 103 CO -0.16 -0.83 1.13 -1.25 0.04 0.00 0.00 177.00 175.93 2dhm s PRO 104 N -3.25 3.35 0.62 0.56 0.04 -1.26 -5.05 135.00 130.01 2dhm s PRO 104 Ca 0.72 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2dhm s PRO 104 Cb -0.24 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.36 2dhm s PRO 104 CO 0.27 -0.85 0.87 0.00 0.04 0.00 0.00 177.00 177.33 2dhm s ARG 106 N -4.92 1.05 0.00 0.00 0.52 -1.26 -5.35 118.95 108.99 2dhm s ARG 106 Ca 0.61 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 2dhm s ARG 106 Cb -0.08 -0.70 0.00 0.00 0.52 0.00 0.00 34.95 34.69 2dhm s ARG 106 CO 0.41 0.10 0.10 0.41 0.02 0.00 0.00 175.30 176.34