#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 5.38 0.56 1.61 0.15 -1.26 -5.06 113.70 115.08 2dhm s SER 2 Ca 0.00 -0.31 -0.21 0.00 0.70 0.00 0.00 55.95 56.13 2dhm s SER 2 Cb 0.00 -0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 2dhm s SER 2 CO 0.00 -1.03 1.28 -1.20 1.20 0.00 0.00 173.24 173.49 2dhm n SER 3 N -2.13 2.30 -4.70 5.45 7.64 -1.26 -4.90 113.62 116.02 2dhm n SER 3 Ca 0.09 0.94 -0.42 0.00 1.01 0.00 0.00 58.87 60.50 2dhm n SER 3 Cb 0.60 -1.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.23 2dhm n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dhm s GLY 4 N -0.99 1.72 0.44 0.23 0.00 -1.26 -4.96 107.32 102.51 2dhm s GLY 4 Ca 0.73 1.10 -0.26 0.00 0.00 0.00 0.00 44.72 46.29 2dhm s GLY 4 CO 0.48 2.65 1.43 -0.45 0.00 0.00 0.00 173.10 177.22 2dhm s SER 5 N 1.91 5.92 -0.18 1.64 0.15 -1.26 -4.95 113.70 116.92 2dhm s SER 5 Ca 0.69 2.93 -0.26 0.00 0.70 0.00 0.00 55.95 60.01 2dhm s SER 5 Cb -0.37 -2.65 -0.01 0.00 -1.71 0.00 0.00 66.02 61.28 2dhm s SER 5 CO 0.30 -1.15 0.85 -0.44 1.20 0.00 0.00 173.24 174.00 2dhm s SER 6 N -0.48 6.96 0.00 5.45 0.01 -1.26 -4.98 113.70 119.39 2dhm s SER 6 Ca 0.60 1.18 0.00 0.00 1.31 0.00 0.00 55.95 59.04 2dhm s SER 6 Cb -0.44 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.33 2dhm s SER 6 CO 0.57 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2dhm n GLY 7 N 3.48 2.11 3.00 3.44 0.00 -1.26 -5.10 105.19 110.86 2dhm n GLY 7 Ca 0.05 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 2dhm n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dhm s MET 8 N -0.16 2.69 -0.19 1.61 1.00 -1.26 -5.06 119.30 117.93 2dhm s MET 8 Ca 0.00 -3.15 -0.09 0.00 0.00 0.00 0.00 55.69 52.45 2dhm s MET 8 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 34.83 31.16 2dhm s MET 8 CO 0.00 -1.24 0.11 -1.64 0.00 0.00 0.00 175.02 172.25 2dhm s MET 9 N -1.13 4.05 0.32 2.03 1.00 -1.26 -4.98 119.30 119.33 2dhm s MET 9 Ca 0.24 -0.25 0.07 0.00 0.00 0.00 0.00 55.69 55.75 2dhm s MET 9 Cb -0.10 -3.33 0.90 0.00 0.00 0.00 0.00 34.83 32.29 2dhm s MET 9 CO -0.12 0.34 1.60 0.82 0.00 0.00 0.00 175.02 177.66 2dhm h ILE 10 N 4.65 0.11 -1.00 2.53 5.03 -1.98 0.87 117.51 127.72 2dhm h ILE 10 Ca -0.41 -0.03 0.22 0.00 -0.12 0.00 0.00 64.86 64.52 2dhm h ILE 10 Cb 1.16 0.03 -0.11 0.00 -3.03 0.00 0.00 36.82 34.87 2dhm h ILE 10 CO 0.73 0.01 0.61 0.08 -0.68 0.00 0.00 178.15 178.90 2dhm h ARG 11 N 0.07 0.63 0.45 2.37 -0.00 -1.99 0.11 114.38 116.02 2dhm h ARG 11 Ca 0.65 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.98 60.57 2dhm h ARG 11 Cb 1.46 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 31.29 2dhm h ARG 11 CO -0.80 0.42 -0.21 0.93 -0.00 0.00 0.00 179.97 180.30 2dhm h GLU 12 N 0.65 -0.58 -0.86 0.08 5.08 0.38 -2.37 114.58 116.97 2dhm h GLU 12 Ca 0.60 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 59.20 2dhm h GLU 12 Cb 1.08 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 30.35 2dhm h GLU 12 CO -0.40 -0.38 0.37 0.00 -1.00 0.00 0.00 179.01 177.59 2dhm h ARG 13 N -0.65 0.41 0.04 2.33 -0.00 -1.39 0.22 114.38 115.34 2dhm h ARG 13 Ca -0.06 -0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.42 2dhm h ARG 13 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 29.97 30.29 2dhm h ARG 13 CO 0.10 0.27 -0.36 0.82 0.00 0.00 0.00 179.97 180.80 2dhm h ILE 14 N 0.42 0.24 0.26 2.04 2.04 -0.93 -2.73 117.51 118.85 2dhm h ILE 14 Ca 0.52 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.37 2dhm h ILE 14 Cb 0.93 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2dhm h ILE 14 CO -0.49 0.00 -0.13 -0.33 0.00 0.00 0.00 178.15 177.20 2dhm h GLU 15 N -0.54 -0.34 -1.02 2.37 5.08 -0.72 -2.87 114.58 116.55 2dhm h GLU 15 Ca 0.05 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 58.78 2dhm h GLU 15 Cb 0.61 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.84 2dhm h GLU 15 CO -0.27 -0.03 0.66 0.39 -1.00 0.00 0.00 179.01 178.76 2dhm n GLU 16 N -5.12 -0.03 -0.02 2.33 1.02 0.68 -0.65 120.64 118.86 2dhm n GLU 16 Ca -0.09 0.90 -0.00 0.00 -0.02 0.00 0.00 57.16 57.95 2dhm n GLU 16 Cb 0.24 -1.79 -0.00 0.00 -0.02 0.00 0.00 31.44 29.87 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 -0.78 3.49 1.57 -1.35 -3.35 116.57 116.15 2dhm h LYS 17 Ca 0.64 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.72 2dhm h LYS 17 Cb 2.09 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 34.25 2dhm h LYS 17 CO -0.32 0.00 0.31 1.28 -0.57 0.00 0.00 179.45 180.15 2dhm n LEU 18 N -3.20 0.17 -0.18 2.94 4.77 0.17 0.30 117.00 121.97 2dhm n LEU 18 Ca -0.00 1.30 -0.08 0.00 -0.03 0.00 0.00 56.01 57.20 2dhm n LEU 18 Cb 0.01 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.44 2dhm n LEU 18 CO 0.00 -1.42 0.49 0.03 -1.33 0.00 0.00 177.39 175.16 2dhm h ARG 19 N 0.00 -0.13 0.00 3.23 3.08 -1.29 0.19 114.38 119.46 2dhm h ARG 19 Ca 0.61 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.67 2dhm h ARG 19 Cb 1.54 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.62 2dhm h ARG 19 CO -0.64 -0.09 -0.46 0.00 -1.07 0.00 0.00 179.97 177.72 2dhm h ALA 20 N -0.24 0.70 -0.31 0.04 0.00 -0.86 0.62 119.26 119.21 2dhm h ALA 20 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2dhm h ALA 20 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dhm h ALA 20 CO -0.51 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 178.73 2dhm h ALA 21 N 2.47 0.42 0.00 0.00 0.00 0.12 -3.40 119.26 118.87 2dhm h ALA 21 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2dhm h ALA 21 Cb 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2dhm h ALA 21 CO 0.00 0.18 -0.66 1.19 0.00 0.00 0.00 179.25 179.96 2dhm n PHE 22 N -4.54 0.00 -2.62 0.00 3.72 0.53 -5.01 117.46 109.54 2dhm n PHE 22 Ca -0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 2dhm n PHE 22 Cb 0.27 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.85 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 -2.09 -2.76 0.00 -1.08 6.02 0.21 -5.05 117.38 112.64 2dhm n GLN 23 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 2dhm n GLN 23 Cb 0.33 -4.01 0.00 0.00 1.02 0.00 0.00 30.24 27.58 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 -2.47 -0.58 -0.07 -1.09 -0.04 -1.26 -5.01 135.00 124.48 2dhm n PRO 24 Ca -0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 2dhm n PRO 24 Cb 0.58 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.89 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 -2.07 0.93 -4.30 0.52 0.24 -0.78 -4.98 118.33 107.88 2dhm n VAL 25 Ca 0.00 -0.69 -0.24 0.00 -2.04 0.00 0.00 64.34 61.37 2dhm n VAL 25 Cb 0.00 -0.37 -0.12 0.00 -1.47 0.00 0.00 33.84 31.88 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 -2.68 1.84 -0.28 6.34 5.36 -1.17 -5.00 117.98 122.38 2dhm s PHE 26 Ca -0.09 -0.42 -0.12 0.00 -0.96 0.00 0.00 56.93 55.34 2dhm s PHE 26 Cb 0.07 -0.99 0.11 0.00 -0.34 0.00 0.00 43.02 41.87 2dhm s PHE 26 CO 0.77 0.24 0.65 -1.17 -1.46 0.00 0.00 175.22 174.25 2dhm s LEU 27 N -2.04 -1.02 -0.28 6.12 2.96 -1.26 -3.23 118.68 119.93 2dhm s LEU 27 Ca 0.09 1.52 -0.17 0.00 -0.22 0.00 0.00 54.13 55.35 2dhm s LEU 27 Cb -0.09 2.28 0.10 0.00 0.50 0.00 0.00 46.19 48.98 2dhm s LEU 27 CO 0.05 -0.23 0.78 -0.70 -1.32 0.00 0.00 176.35 174.93 2dhm s GLU 28 N 2.35 0.61 -0.10 1.98 2.56 -0.70 -5.03 118.70 120.37 2dhm s GLU 28 Ca -0.08 1.04 0.00 0.00 0.00 0.00 0.00 54.97 55.94 2dhm s GLU 28 Cb -0.09 0.13 -0.02 0.00 2.00 0.00 0.00 34.13 36.15 2dhm s GLU 28 CO -0.19 -0.13 -0.10 0.08 -0.56 0.00 0.00 175.26 174.37 2dhm s VAL 29 N 1.48 3.40 -0.54 3.70 1.01 -1.26 -0.18 120.40 127.99 2dhm s VAL 29 Ca -0.09 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2dhm s VAL 29 Cb -0.05 -2.41 0.14 0.00 0.00 0.00 0.00 36.38 34.06 2dhm s VAL 29 CO -0.17 0.55 0.39 -0.69 0.00 0.00 0.00 175.10 175.18 2dhm s VAL 30 N -0.19 4.04 0.46 2.92 1.01 0.09 -5.02 120.40 123.71 2dhm s VAL 30 Ca 0.01 -2.27 -0.04 0.00 0.00 0.00 0.00 61.98 59.69 2dhm s VAL 30 Cb -0.13 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2dhm s VAL 30 CO 0.03 -0.82 0.73 -0.62 0.00 0.00 0.00 175.10 174.42 2dhm s ASP 31 N 1.86 6.19 -0.17 3.32 2.15 -1.26 -2.84 116.67 125.92 2dhm s ASP 31 Ca 0.11 0.76 -0.03 0.00 0.43 0.00 0.00 52.55 53.82 2dhm s ASP 31 Cb -0.22 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.27 2dhm s ASP 31 CO -0.03 -0.56 -0.07 -1.83 -0.17 0.00 0.00 175.17 172.51 2dhm s GLU 32 N -4.66 3.49 -0.40 4.34 1.03 -1.24 -5.00 118.70 116.26 2dhm s GLU 32 Ca 0.46 -0.61 0.04 0.00 0.03 0.00 0.00 54.97 54.90 2dhm s GLU 32 Cb -0.10 -2.86 0.46 0.00 -0.80 0.00 0.00 34.13 30.82 2dhm s GLU 32 CO 0.42 0.08 1.42 -1.13 -1.33 0.00 0.00 175.26 174.73 2dhm n SER 33 N 3.96 5.69 -4.67 0.83 3.41 -1.26 -5.03 113.62 116.55 2dhm n SER 33 Ca -0.18 -3.76 -0.42 0.00 -0.26 0.00 0.00 58.87 54.25 2dhm n SER 33 Cb 0.52 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 2dhm n SER 33 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2dhm s TYR 34 N -3.66 2.68 -0.23 7.33 2.02 -1.26 -4.90 117.35 119.33 2dhm s TYR 34 Ca 0.55 0.76 -0.08 0.00 -0.37 0.00 0.00 57.07 57.93 2dhm s TYR 34 Cb 0.44 -3.65 -0.11 0.00 -0.40 0.00 0.00 41.96 38.23 2dhm s TYR 34 CO 0.02 -2.46 -0.28 2.89 -1.57 0.00 0.00 175.55 174.16 2dhm n ARG 35 N 6.09 0.52 -2.06 -0.62 1.85 -1.26 -4.98 116.66 116.20 2dhm n ARG 35 Ca 0.14 0.20 -0.41 0.00 -1.00 0.00 0.00 57.85 56.78 2dhm n ARG 35 Cb 0.44 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 30.46 2dhm n ARG 35 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2dhm s HIS 36 N -2.44 2.98 -0.96 2.89 -3.43 -1.26 -4.93 115.29 108.14 2dhm s HIS 36 Ca -0.32 1.36 -0.23 0.00 -0.80 0.00 0.00 55.06 55.06 2dhm s HIS 36 Cb 0.11 -3.74 0.06 0.00 -1.43 0.00 0.00 32.58 27.58 2dhm s HIS 36 CO 0.45 -2.07 1.37 -0.80 -2.00 0.00 0.00 174.74 171.68 2dhm s ASN 37 N -0.38 6.46 -0.03 7.38 0.01 -1.26 -4.94 114.94 122.18 2dhm s ASN 37 Ca 0.50 -1.38 -0.10 0.00 -0.71 0.00 0.00 52.86 51.17 2dhm s ASN 37 Cb -0.41 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.72 2dhm s ASN 37 CO 0.54 -1.50 0.23 0.68 -1.51 0.00 0.00 177.10 175.54 2dhm s VAL 38 N 4.76 0.05 -0.57 1.60 -7.23 -1.26 -5.11 120.40 112.65 2dhm s VAL 38 Ca 0.42 -0.44 -0.27 0.00 -1.81 0.00 0.00 61.98 59.88 2dhm s VAL 38 Cb -0.02 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 2dhm s VAL 38 CO -0.06 -0.24 1.83 -2.16 -0.31 0.00 0.00 175.10 174.16 2dhm s PRO 39 N -0.99 2.76 0.80 4.82 0.04 -1.26 -4.99 135.00 136.18 2dhm s PRO 39 Ca -0.11 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 61.53 2dhm s PRO 39 Cb -0.05 -4.35 0.19 0.00 0.04 0.00 0.00 34.50 30.33 2dhm s PRO 39 CO 0.02 -2.57 0.90 0.00 0.04 0.00 0.00 177.00 175.40 2dhm n ALA 40 N 12.26 -1.74 -3.22 8.56 0.00 -1.26 -5.03 120.51 130.08 2dhm n ALA 40 Ca 0.21 -1.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.15 2dhm n ALA 40 Cb 0.51 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.04 4.46 2.93 0.00 0.00 -1.26 -5.04 105.19 104.24 2dhm n GLY 41 Ca 0.12 -2.38 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.46 0.35 0.25 1.61 1.04 -1.26 -5.03 113.70 108.19 2dhm s SER 42 Ca 0.41 0.42 -0.03 0.00 0.48 0.00 0.00 55.95 57.23 2dhm s SER 42 Cb 0.21 0.39 0.48 0.00 0.10 0.00 0.00 66.02 67.20 2dhm s SER 42 CO -0.07 -0.21 1.75 -0.33 0.98 0.00 0.00 173.24 175.35 2dhm h GLU 43 N 7.98 0.52 -3.61 4.02 5.08 -2.01 -3.37 114.58 123.20 2dhm h GLU 43 Ca -0.23 -0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.57 2dhm h GLU 43 Cb 1.13 -0.12 -0.40 0.00 0.50 0.00 0.00 28.75 29.86 2dhm h GLU 43 CO 0.22 0.35 -0.77 -1.12 -1.00 0.00 0.00 179.01 176.70 2dhm s SER 44 N -5.39 3.09 0.28 1.42 0.01 -1.26 -4.98 113.70 106.86 2dhm s SER 44 Ca -0.12 -0.92 0.14 0.00 1.31 0.00 0.00 55.95 56.36 2dhm s SER 44 Cb 0.21 -0.67 0.78 0.00 0.21 0.00 0.00 66.02 66.55 2dhm s SER 44 CO 0.77 -0.31 1.37 1.41 0.41 0.00 0.00 173.24 176.89 2dhm n HIS 45 N 5.00 0.48 -4.33 2.43 8.25 -1.26 -4.26 115.22 121.54 2dhm n HIS 45 Ca -0.09 0.25 -0.26 0.00 -0.26 0.00 0.00 57.72 57.36 2dhm n HIS 45 Cb 0.46 -0.78 -0.17 0.00 1.12 0.00 0.00 29.99 30.62 2dhm n HIS 45 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2dhm s PHE 46 N -3.32 1.62 0.01 4.41 2.19 -1.26 -3.64 117.98 117.98 2dhm s PHE 46 Ca -0.02 -0.72 0.00 0.00 0.33 0.00 0.00 56.93 56.53 2dhm s PHE 46 Cb 0.04 -1.23 -0.01 0.00 -1.31 0.00 0.00 43.02 40.52 2dhm s PHE 46 CO 0.13 -0.41 -0.02 0.21 1.83 0.00 0.00 175.22 176.96 2dhm s LYS 47 N 1.09 0.15 -0.06 10.12 2.36 -1.13 -2.85 119.74 129.42 2dhm s LYS 47 Ca -0.06 -0.25 0.04 0.00 -2.55 0.00 0.00 55.97 53.15 2dhm s LYS 47 Cb -0.14 0.01 -0.00 0.00 -1.05 0.00 0.00 37.83 36.65 2dhm s LYS 47 CO -0.02 -0.01 -0.19 0.08 1.55 0.00 0.00 175.35 176.76 2dhm s VAL 48 N -0.58 1.58 -0.28 4.02 1.01 -0.99 -0.73 120.40 124.43 2dhm s VAL 48 Ca -0.06 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 2dhm s VAL 48 Cb -0.04 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 2dhm s VAL 48 CO -0.00 0.45 0.07 -0.69 0.00 0.00 0.00 175.10 174.93 2dhm s VAL 49 N 0.19 4.05 -0.18 2.92 1.01 0.74 -2.45 120.40 126.68 2dhm s VAL 49 Ca -0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2dhm s VAL 49 Cb -0.14 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.28 2dhm s VAL 49 CO 0.04 0.17 0.04 -0.22 0.00 0.00 0.00 175.10 175.13 2dhm s LEU 50 N 1.54 1.05 -0.24 3.92 0.20 -1.20 -1.73 118.68 122.22 2dhm s LEU 50 Ca 0.04 -0.75 -0.12 0.00 0.69 0.00 0.00 54.13 53.99 2dhm s LEU 50 Cb -0.16 -0.55 -0.05 0.00 -0.43 0.00 0.00 46.19 45.00 2dhm s LEU 50 CO 0.03 -0.30 0.24 -0.69 -0.29 0.00 0.00 176.35 175.33 2dhm s VAL 51 N 1.89 5.29 -0.04 1.68 1.01 -1.20 -2.86 120.40 126.18 2dhm s VAL 51 Ca -0.00 0.34 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 2dhm s VAL 51 Cb -0.17 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2dhm s VAL 51 CO -0.08 0.29 0.41 -0.94 0.00 0.00 0.00 175.10 174.78 2dhm s SER 52 N 1.24 -0.33 0.22 3.32 1.04 0.68 -1.87 113.70 118.00 2dhm s SER 52 Ca 0.11 0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.89 2dhm s SER 52 Cb -0.14 0.43 0.20 0.00 0.10 0.00 0.00 66.02 66.60 2dhm s SER 52 CO 0.07 -0.45 1.53 -2.24 0.98 0.00 0.00 173.24 173.12 2dhm h ASP 53 N 3.85 0.31 -1.38 7.02 3.04 -1.95 -3.17 116.42 124.14 2dhm h ASP 53 Ca -0.29 -0.19 0.40 0.00 -3.24 0.00 0.00 57.03 53.72 2dhm h ASP 53 Cb 1.17 -0.09 -0.06 0.00 -1.04 0.00 0.00 39.33 39.31 2dhm h ASP 53 CO 0.38 0.87 1.26 0.54 -2.04 0.00 0.00 179.24 180.25 2dhm n ARG 54 N -3.85 0.01 -1.05 4.15 5.12 -1.26 0.14 116.66 119.92 2dhm n ARG 54 Ca -0.03 1.00 -0.23 0.00 -1.93 0.00 0.00 57.85 56.67 2dhm n ARG 54 Cb 0.64 -2.42 0.05 0.00 -1.16 0.00 0.00 32.46 29.57 2dhm n ARG 54 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2dhm n PHE 55 N -3.45 2.13 -1.63 -1.55 3.72 -1.20 -4.40 117.46 111.08 2dhm n PHE 55 Ca 0.31 -2.34 -0.33 0.00 -0.05 0.00 0.00 57.45 55.05 2dhm n PHE 55 Cb 1.67 -1.13 0.06 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.09 3.31 0.00 4.37 5.66 0.38 -4.62 114.28 123.29 2dhm n THR 56 Ca 0.41 -3.53 0.00 0.00 -3.05 0.00 0.00 64.05 57.89 2dhm n THR 56 Cb 0.60 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 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 -0.80 0.73 3.08 1.09 0.00 -1.26 -5.15 105.19 102.88 2dhm n GLY 57 Ca 0.56 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 -3.02 -2.57 1.61 -0.58 -1.26 -5.02 120.64 109.79 2dhm n GLU 58 Ca 0.00 -0.90 -0.18 0.00 -0.42 0.00 0.00 57.16 55.66 2dhm n GLU 58 Cb 0.00 -1.62 0.08 0.00 -0.57 0.00 0.00 31.44 29.33 2dhm n GLU 58 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2dhm n ARG 59 N -3.01 0.41 0.07 3.49 1.74 -1.26 -4.97 116.66 113.14 2dhm n ARG 59 Ca 0.08 -2.59 -0.17 0.00 -0.77 0.00 0.00 57.85 54.40 2dhm n ARG 59 Cb 0.42 -0.34 -0.14 0.00 -1.02 0.00 0.00 32.46 31.38 2dhm n ARG 59 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2dhm h PHE 60 N -0.16 0.48 0.03 -1.55 0.04 -1.98 -2.95 116.94 110.86 2dhm h PHE 60 Ca -0.25 -0.35 -0.00 0.00 2.80 0.00 0.00 57.97 60.16 2dhm h PHE 60 Cb 1.08 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2dhm h PHE 60 CO 0.00 1.38 -0.01 1.37 -0.60 0.00 0.00 178.31 180.45 2dhm h LEU 61 N 0.07 -0.03 0.52 1.54 -0.00 -1.99 -3.17 115.31 112.25 2dhm h LEU 61 Ca -0.23 -0.52 -0.03 0.00 -0.00 0.00 0.00 57.88 57.11 2dhm h LEU 61 Cb 2.02 0.01 0.01 0.00 -0.00 0.00 0.00 40.66 42.69 2dhm h LEU 61 CO 0.17 0.51 -0.25 -1.13 -0.00 0.00 0.00 178.44 177.74 2dhm h ASN 62 N -0.59 -0.60 -1.14 0.17 -1.24 -1.98 0.19 115.58 110.38 2dhm h ASN 62 Ca -0.00 0.02 0.33 0.00 0.71 0.00 0.00 56.30 57.36 2dhm h ASN 62 Cb 0.55 0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.71 2dhm h ASN 62 CO 0.01 -0.40 1.18 -2.11 -1.29 0.00 0.00 177.43 174.82 2dhm n ARG 63 N -4.02 0.01 -0.04 6.67 1.85 -1.11 0.17 116.66 120.19 2dhm n ARG 63 Ca -0.09 0.97 -0.21 0.00 -1.00 0.00 0.00 57.85 57.52 2dhm n ARG 63 Cb 0.28 -2.37 -0.13 0.00 -1.05 0.00 0.00 32.46 29.19 2dhm n ARG 63 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2dhm n HIS 64 N -3.24 0.97 -0.03 2.89 8.25 -0.98 -3.68 115.22 119.39 2dhm n HIS 64 Ca 0.26 0.24 0.19 0.00 -0.26 0.00 0.00 57.72 58.15 2dhm n HIS 64 Cb 1.53 -1.12 0.66 0.00 1.12 0.00 0.00 29.99 32.17 2dhm n HIS 64 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2dhm h ARG 65 N -0.15 0.07 0.09 -0.41 0.11 0.49 0.50 114.38 115.09 2dhm h ARG 65 Ca -0.45 -0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.38 2dhm h ARG 65 Cb 1.89 -0.02 0.02 0.00 1.11 0.00 0.00 29.97 32.97 2dhm h ARG 65 CO -0.01 0.05 -1.02 0.00 0.10 0.00 0.00 179.97 179.09 2dhm h MET 66 N 0.08 0.54 0.28 0.08 -0.00 -1.43 -2.82 114.93 111.65 2dhm h MET 66 Ca 0.27 -0.69 -0.01 0.00 -0.00 0.00 0.00 59.70 59.27 2dhm h MET 66 Cb 0.99 0.22 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 2dhm h MET 66 CO -0.02 1.30 -0.13 0.82 -0.00 0.00 0.00 176.91 178.87 2dhm h ILE 67 N 0.10 0.76 0.42 -0.10 1.08 -1.25 -3.11 117.51 115.42 2dhm h ILE 67 Ca -0.15 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 2dhm h ILE 67 Cb 1.72 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 36.48 2dhm h ILE 67 CO 0.20 0.10 -0.38 1.88 -0.69 0.00 0.00 178.15 179.25 2dhm h TYR 68 N -0.62 -1.04 -1.42 1.37 0.05 -1.10 -1.85 116.97 112.36 2dhm h TYR 68 Ca -0.04 0.00 0.45 0.00 0.05 0.00 0.00 58.73 59.20 2dhm h TYR 68 Cb 0.44 0.40 -0.10 0.00 1.01 0.00 0.00 36.73 38.49 2dhm h TYR 68 CO 0.01 -0.52 0.97 0.45 -1.05 0.00 0.00 178.16 178.02 2dhm n SER 69 N -4.71 0.10 -0.01 3.88 2.88 -1.06 0.20 113.62 114.90 2dhm n SER 69 Ca -0.09 1.05 -0.13 0.00 -1.33 0.00 0.00 58.87 58.37 2dhm n SER 69 Cb 0.35 -0.52 -0.08 0.00 -0.75 0.00 0.00 64.21 63.21 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 1.26 -0.96 2.46 2.02 -1.26 -3.35 112.91 113.09 2dhm h THR 70 Ca 0.78 -0.79 -0.45 0.00 0.77 0.00 0.00 66.41 66.73 2dhm h THR 70 Cb 2.82 1.75 -0.41 0.00 -1.74 0.00 0.00 68.15 70.56 2dhm h THR 70 CO -0.23 0.21 -0.95 0.00 0.37 0.00 0.00 175.52 174.92 2dhm n LEU 71 N -4.90 3.27 0.21 2.58 -0.00 0.42 -4.83 117.00 113.76 2dhm n LEU 71 Ca -0.07 -4.25 0.08 0.00 -0.00 0.00 0.00 56.01 51.77 2dhm n LEU 71 Cb 0.19 -0.00 0.46 0.00 -0.00 0.00 0.00 43.42 44.06 2dhm n LEU 71 CO 0.34 1.77 0.78 0.00 -0.00 0.00 0.00 177.39 180.28 2dhm h ALA 72 N 2.59 1.13 0.10 1.47 0.00 0.22 -2.33 119.26 122.44 2dhm h ALA 72 Ca 0.12 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 54.42 2dhm h ALA 72 Cb 1.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2dhm h ALA 72 CO 0.59 0.36 -1.91 0.39 0.00 0.00 0.00 179.25 178.68 2dhm n GLU 73 N -3.62 0.73 -0.12 0.00 1.02 -1.26 -3.78 120.64 113.61 2dhm n GLU 73 Ca -0.01 0.30 -0.07 0.00 -0.02 0.00 0.00 57.16 57.36 2dhm n GLU 73 Cb 0.41 -1.71 0.01 0.00 -0.02 0.00 0.00 31.44 30.13 2dhm n GLU 73 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dhm h GLU 74 N -0.09 0.45 0.00 3.49 4.39 -1.91 -0.58 114.58 120.33 2dhm h GLU 74 Ca -0.42 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2dhm h GLU 74 Cb 1.93 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 2dhm h GLU 74 CO 0.04 0.30 0.00 1.47 -1.16 0.00 0.00 179.01 179.66 2dhm n LEU 75 N -4.87 0.47 -1.41 1.33 -0.00 -0.88 -1.53 117.00 110.12 2dhm n LEU 75 Ca 0.01 0.64 0.09 0.00 -0.00 0.00 0.00 56.01 56.75 2dhm n LEU 75 Cb 0.06 -0.60 0.32 0.00 -0.00 0.00 0.00 43.42 43.19 2dhm n LEU 75 CO 0.32 -0.57 0.77 -0.24 -0.00 0.00 0.00 177.39 177.67 2dhm n SER 76 N -2.05 4.14 -0.06 1.45 2.88 -0.24 -3.53 113.62 116.22 2dhm n SER 76 Ca 0.02 -2.31 -0.03 0.00 -1.33 0.00 0.00 58.87 55.21 2dhm n SER 76 Cb 0.16 -0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 63.09 2dhm n SER 76 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dhm h THR 77 N 3.71 0.10 0.00 2.46 2.02 -1.14 -3.45 112.91 116.61 2dhm h THR 77 Ca 0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 2dhm h THR 77 Cb 1.23 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2dhm h THR 77 CO 0.17 0.04 -0.59 1.07 0.37 0.00 0.00 175.52 176.58 2dhm n THR 78 N -4.70 0.00 -2.53 3.16 5.66 -1.26 -5.07 114.28 109.54 2dhm n THR 78 Ca -0.04 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.59 2dhm n THR 78 Cb 0.14 -0.57 -0.04 0.00 -1.55 0.00 0.00 70.33 68.32 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 -1.59 3.70 -0.09 1.08 1.01 -1.23 -4.99 120.40 118.28 2dhm s VAL 79 Ca 0.00 1.30 -0.08 0.00 0.00 0.00 0.00 61.98 63.20 2dhm s VAL 79 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2dhm s VAL 79 CO 0.00 0.01 -0.18 1.57 0.00 0.00 0.00 175.10 176.50 2dhm n HIS 80 N -0.07 0.00 -4.03 5.22 -0.00 -1.26 -4.38 115.22 110.70 2dhm n HIS 80 Ca 0.05 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.92 2dhm n HIS 80 Cb 0.49 -0.39 -0.16 0.00 -0.12 0.00 0.00 29.99 29.82 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 -2.36 2.15 0.06 1.57 0.00 -1.26 -5.04 121.76 116.87 2dhm s ALA 81 Ca -0.17 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.56 2dhm s ALA 81 Cb 0.05 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2dhm s ALA 81 CO 0.24 -0.77 -0.09 -1.17 0.00 0.00 0.00 175.76 173.97 2dhm s LEU 82 N 1.33 3.06 -0.22 0.00 2.96 -1.26 -4.35 118.68 120.21 2dhm s LEU 82 Ca -0.01 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 2dhm s LEU 82 Cb -0.16 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 2dhm s LEU 82 CO -0.09 0.23 -0.05 0.00 -1.32 0.00 0.00 176.35 175.12 2dhm s ALA 83 N -1.10 2.79 -0.53 5.97 0.00 -1.13 -5.04 121.76 122.71 2dhm s ALA 83 Ca 0.19 -1.19 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 2dhm s ALA 83 Cb -0.11 -1.68 0.07 0.00 0.00 0.00 0.00 23.12 21.40 2dhm s ALA 83 CO 0.11 -0.45 0.62 -0.51 0.00 0.00 0.00 175.76 175.52 2dhm s LEU 84 N 1.46 5.20 -1.14 0.00 1.43 -1.26 -2.35 118.68 122.02 2dhm s LEU 84 Ca 0.06 -1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 51.93 2dhm s LEU 84 Cb -0.14 -2.37 0.25 0.00 0.03 0.00 0.00 46.19 43.96 2dhm s LEU 84 CO -0.04 -0.92 1.29 1.41 0.23 0.00 0.00 176.35 178.32 2dhm n HIS 85 N 6.07 4.65 -2.98 0.29 8.25 -1.03 -5.01 115.22 125.45 2dhm n HIS 85 Ca -0.08 -3.53 -0.40 0.00 -0.26 0.00 0.00 57.72 53.44 2dhm n HIS 85 Cb 0.44 -1.77 -0.04 0.00 1.12 0.00 0.00 29.99 29.74 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 -0.76 4.98 0.32 1.59 -4.23 -1.26 -3.27 115.64 113.02 2dhm s THR 86 Ca 0.34 1.51 0.03 0.00 -1.18 0.00 0.00 61.69 62.40 2dhm s THR 86 Cb -0.05 -4.08 -0.05 0.00 1.34 0.00 0.00 72.50 69.66 2dhm s THR 86 CO -0.03 0.16 0.08 -0.31 -0.54 0.00 0.00 174.62 173.99 2dhm s TYR 87 N 1.33 1.82 0.05 3.99 1.51 -1.13 -5.00 117.35 119.92 2dhm s TYR 87 Ca 0.38 -1.08 0.04 0.00 -1.01 0.00 0.00 57.07 55.39 2dhm s TYR 87 Cb -0.17 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 2dhm s TYR 87 CO 0.16 -0.14 -0.00 0.95 -1.11 0.00 0.00 175.55 175.41 2dhm s THR 88 N -3.40 4.05 0.13 -0.71 -4.23 -1.26 -0.23 115.64 110.00 2dhm s THR 88 Ca 0.34 -0.84 -0.32 0.00 -1.18 0.00 0.00 61.69 59.69 2dhm s THR 88 Cb 0.07 -2.88 -0.10 0.00 1.34 0.00 0.00 72.50 70.93 2dhm s THR 88 CO 0.15 0.22 1.53 0.40 -0.54 0.00 0.00 174.62 176.38 2dhm h ILE 89 N 3.13 0.00 -0.36 2.99 5.03 -1.90 -0.71 117.51 125.69 2dhm h ILE 89 Ca -0.48 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.34 2dhm h ILE 89 Cb 1.17 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.87 2dhm h ILE 89 CO 0.59 0.00 -0.25 0.11 -0.68 0.00 0.00 178.15 177.92 2dhm h LYS 90 N -0.31 -0.19 -0.89 2.37 6.56 -1.97 0.69 116.57 122.82 2dhm h LYS 90 Ca 0.09 0.01 0.21 0.00 -1.06 0.00 0.00 60.65 59.90 2dhm h LYS 90 Cb 0.54 0.04 -0.12 0.00 -0.57 0.00 0.00 32.23 32.13 2dhm h LYS 90 CO -0.65 -0.13 0.40 0.93 -2.06 0.00 0.00 179.45 177.95 2dhm h GLU 91 N -0.20 0.42 -0.31 3.15 5.08 -1.60 0.48 114.58 121.60 2dhm h GLU 91 Ca 0.18 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 2dhm h GLU 91 Cb 0.47 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2dhm h GLU 91 CO -0.48 0.28 -0.31 2.35 -1.00 0.00 0.00 179.01 179.85 2dhm h TRP 92 N 0.43 0.91 -1.39 4.33 -0.00 0.34 0.57 115.95 121.15 2dhm h TRP 92 Ca 0.55 -0.27 0.40 0.00 -0.00 0.00 0.00 58.89 59.57 2dhm h TRP 92 Cb 1.02 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.16 29.93 2dhm h TRP 92 CO -0.13 1.04 1.18 0.93 -0.00 0.00 0.00 178.44 181.46 2dhm h GLU 93 N 0.52 0.00 0.00 2.65 5.08 0.13 -3.25 114.58 119.71 2dhm h GLU 93 Ca 0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2dhm h GLU 93 Cb 0.89 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.01 2dhm h GLU 93 CO 0.08 0.00 -0.12 0.41 -1.00 0.00 0.00 179.01 178.38 2dhm n GLY 94 N -1.79 -1.36 0.05 -3.84 0.00 -1.14 -5.03 105.19 92.07 2dhm n GLY 94 Ca 0.31 0.82 -0.12 0.00 0.00 0.00 0.00 46.02 47.02 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 3.21 -0.01 -0.51 0.99 5.85 -0.92 -3.25 115.31 120.68 2dhm h LEU 95 Ca -0.22 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2dhm h LEU 95 Cb 1.17 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 2dhm h LEU 95 CO -0.08 0.17 -0.30 1.67 -0.34 0.00 0.00 178.44 179.56 2dhm n GLN 96 N -5.01 -0.22 -3.74 1.25 7.27 -1.26 -4.82 117.38 110.85 2dhm n GLN 96 Ca -0.08 1.14 -0.05 0.00 0.07 0.00 0.00 57.00 58.09 2dhm n GLN 96 Cb 0.11 -1.69 -0.02 0.00 2.41 0.00 0.00 30.24 31.05 2dhm n GLN 96 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2dhm s ASP 97 N -4.41 -0.23 -0.26 1.69 2.15 -1.23 -5.14 116.67 109.24 2dhm s ASP 97 Ca -0.06 -0.39 0.03 0.00 0.43 0.00 0.00 52.55 52.55 2dhm s ASP 97 Cb 0.06 0.54 0.06 0.00 -0.30 0.00 0.00 42.92 43.27 2dhm s ASP 97 CO 0.32 -0.98 -0.10 0.42 -0.17 0.00 0.00 175.17 174.66 2dhm s THR 98 N -3.44 2.07 -0.40 1.71 -4.23 -1.26 -4.81 115.64 105.28 2dhm s THR 98 Ca 0.11 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 2dhm s THR 98 Cb -0.02 -2.20 0.11 0.00 1.34 0.00 0.00 72.50 71.72 2dhm s THR 98 CO 0.01 -0.05 0.19 -0.69 -0.54 0.00 0.00 174.62 173.54 2dhm s VAL 99 N 1.15 3.17 -0.33 2.29 1.01 -1.26 -5.04 120.40 121.38 2dhm s VAL 99 Ca -0.08 -2.09 0.02 0.00 0.00 0.00 0.00 61.98 59.83 2dhm s VAL 99 Cb -0.20 -3.19 0.10 0.00 0.00 0.00 0.00 36.38 33.09 2dhm s VAL 99 CO -0.05 -0.68 0.06 0.12 0.00 0.00 0.00 175.10 174.55 2dhm s PHE 100 N 1.11 3.12 -0.10 5.22 5.36 -1.26 -5.10 117.98 126.33 2dhm s PHE 100 Ca 0.09 -2.60 0.02 0.00 -0.96 0.00 0.00 56.93 53.48 2dhm s PHE 100 Cb -0.22 -2.53 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 2dhm s PHE 100 CO -0.05 -0.92 -0.16 0.00 -1.46 0.00 0.00 175.22 172.63 2dhm s ALA 101 N 1.13 2.52 0.17 11.12 0.00 -1.26 -5.11 121.76 130.33 2dhm s ALA 101 Ca 0.10 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 2dhm s ALA 101 Cb -0.18 -1.04 -0.07 0.00 0.00 0.00 0.00 23.12 21.83 2dhm s ALA 101 CO -0.13 0.35 1.00 -1.54 0.00 0.00 0.00 175.76 175.45 2dhm s SER 102 N 0.01 7.45 0.11 0.00 1.04 -1.26 -5.01 113.70 116.05 2dhm s SER 102 Ca -0.05 1.94 -0.31 0.00 0.48 0.00 0.00 55.95 58.01 2dhm s SER 102 Cb -0.15 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.30 2dhm s SER 102 CO 0.04 -0.06 1.37 -2.16 0.98 0.00 0.00 173.24 173.41 2dhm s PRO 103 N -0.45 4.33 0.99 4.02 0.04 -1.26 -5.03 135.00 137.64 2dhm s PRO 103 Ca 0.46 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.37 2dhm s PRO 103 Cb -0.26 -3.26 0.25 0.00 0.04 0.00 0.00 34.50 31.26 2dhm s PRO 103 CO 0.32 -0.41 0.88 -0.35 0.04 0.00 0.00 177.00 177.48 2dhm n PRO 104 N 3.94 -2.73 -1.82 0.56 -0.04 -1.26 -4.92 135.00 128.73 2dhm n PRO 104 Ca 0.11 -1.40 -0.42 0.00 -0.04 0.00 0.00 63.50 61.75 2dhm n PRO 104 Cb 0.43 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 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 8.99 0.04 0.00 0.00 2.43 -2.05 -3.57 114.38 120.21 2dhm h ARG 106 Ca -0.45 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2dhm h ARG 106 Cb 1.21 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2dhm h ARG 106 CO 0.94 1.03 0.00 0.41 -1.51 0.00 0.00 179.97 180.84