#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 -0.38 0.27 1.61 0.01 -1.26 -5.18 113.70 108.76 2dhm s SER 2 Ca 0.00 0.54 -0.17 0.00 1.31 0.00 0.00 55.95 57.63 2dhm s SER 2 Cb 0.00 1.37 0.01 0.00 0.21 0.00 0.00 66.02 67.61 2dhm s SER 2 CO 0.00 -0.08 0.60 -0.44 0.41 0.00 0.00 173.24 173.73 2dhm s SER 3 N 2.03 -0.17 0.00 2.44 0.01 -1.26 -5.17 113.70 111.58 2dhm s SER 3 Ca -0.03 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2dhm s SER 3 Cb -0.04 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2dhm s SER 3 CO -0.16 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 172.85 2dhm n GLY 4 N -0.42 3.21 3.00 3.44 0.00 -1.26 -5.18 105.19 107.97 2dhm n GLY 4 Ca -0.03 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.02 0.20 1.61 0.01 -1.26 -5.16 113.70 109.12 2dhm s SER 5 Ca 0.00 -0.09 -0.23 0.00 1.31 0.00 0.00 55.95 56.94 2dhm s SER 5 Cb 0.00 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.44 2dhm s SER 5 CO 0.00 -0.18 0.74 -0.44 0.41 0.00 0.00 173.24 173.77 2dhm s SER 6 N -0.67 -0.35 -0.45 2.44 0.01 -1.26 -5.06 113.70 108.36 2dhm s SER 6 Ca -0.07 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.89 2dhm s SER 6 Cb -0.05 0.62 0.45 0.00 0.21 0.00 0.00 66.02 67.26 2dhm s SER 6 CO 0.00 -1.09 1.53 0.61 0.41 0.00 0.00 173.24 174.70 2dhm n GLY 7 N -0.42 6.19 3.93 3.44 0.00 -1.26 -4.92 105.19 112.15 2dhm n GLY 7 Ca -0.09 -2.53 -0.31 0.00 0.00 0.00 0.00 46.02 43.10 2dhm n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dhm n MET 8 N -0.79 -1.32 -1.64 1.61 -0.00 -1.26 -4.87 117.12 108.85 2dhm n MET 8 Ca 0.51 0.10 -0.29 0.00 -0.00 0.00 0.00 57.70 58.02 2dhm n MET 8 Cb 0.84 -4.54 0.10 0.00 -0.00 0.00 0.00 33.22 29.62 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 -6.49 1.83 -0.07 3.17 1.00 -1.26 -5.01 119.30 112.47 2dhm s MET 9 Ca 0.60 0.41 -0.24 0.00 0.00 0.00 0.00 55.69 56.45 2dhm s MET 9 Cb -0.35 -1.91 -0.27 0.00 0.00 0.00 0.00 34.83 32.30 2dhm s MET 9 CO 0.73 -1.75 0.92 0.82 0.00 0.00 0.00 175.02 175.74 2dhm h ILE 10 N -1.17 1.60 -1.05 2.53 1.08 -2.01 -3.30 117.51 115.18 2dhm h ILE 10 Ca -0.48 -2.27 0.28 0.00 -0.39 0.00 0.00 64.86 62.00 2dhm h ILE 10 Cb 1.30 3.08 -0.11 0.00 -3.07 0.00 0.00 36.82 38.01 2dhm h ILE 10 CO 0.62 0.62 0.65 0.08 -0.69 0.00 0.00 178.15 179.43 2dhm h ARG 11 N -0.56 0.41 0.93 2.37 0.11 -1.99 0.12 114.38 115.77 2dhm h ARG 11 Ca -0.06 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 59.95 2dhm h ARG 11 Cb 1.25 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 32.25 2dhm h ARG 11 CO 0.08 0.27 -0.45 0.93 0.10 0.00 0.00 179.97 180.90 2dhm h GLU 12 N 0.42 -1.20 -0.92 0.08 3.07 -1.97 -0.69 114.58 113.37 2dhm h GLU 12 Ca 0.65 0.08 0.09 0.00 -0.50 0.00 0.00 59.36 59.68 2dhm h GLU 12 Cb 1.52 0.27 -0.07 0.00 -0.84 0.00 0.00 28.75 29.63 2dhm h GLU 12 CO -0.40 -0.80 0.56 0.00 -1.40 0.00 0.00 179.01 176.97 2dhm h ARG 13 N -1.25 0.92 0.28 2.33 3.08 -1.37 0.45 114.38 118.82 2dhm h ARG 13 Ca -0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2dhm h ARG 13 Cb 0.96 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2dhm h ARG 13 CO 0.21 0.61 -0.17 0.82 -1.07 0.00 0.00 179.97 180.37 2dhm h ILE 14 N 0.95 0.00 0.23 2.04 2.04 -0.87 -2.97 117.51 118.93 2dhm h ILE 14 Ca 0.43 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.29 2dhm h ILE 14 Cb 0.35 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2dhm h ILE 14 CO -0.23 0.00 -0.16 -0.33 0.00 0.00 0.00 178.15 177.42 2dhm h GLU 15 N -0.42 -0.38 -0.77 2.37 5.08 -1.00 -2.45 114.58 117.01 2dhm h GLU 15 Ca -0.04 0.03 0.31 0.00 -1.00 0.00 0.00 59.36 58.65 2dhm h GLU 15 Cb 0.33 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 2dhm h GLU 15 CO 0.04 -0.25 0.44 0.39 -1.00 0.00 0.00 179.01 178.63 2dhm n GLU 16 N -5.29 -0.04 0.00 2.33 1.02 0.16 -0.13 120.64 118.69 2dhm n GLU 16 Ca -0.09 0.95 -0.02 0.00 -0.02 0.00 0.00 57.16 57.98 2dhm n GLU 16 Cb 0.20 -1.74 -0.01 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 -0.11 -1.55 3.49 1.57 -1.27 -3.30 116.57 115.39 2dhm h LYS 17 Ca 0.60 0.01 0.45 0.00 -1.87 0.00 0.00 60.65 59.84 2dhm h LYS 17 Cb 1.69 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.96 2dhm h LYS 17 CO -0.48 -0.07 1.20 -0.07 -0.57 0.00 0.00 179.45 179.46 2dhm h LEU 18 N -0.96 0.00 -0.01 2.94 3.38 -0.24 0.25 115.31 120.67 2dhm h LEU 18 Ca -0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2dhm h LEU 18 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2dhm h LEU 18 CO 0.02 0.00 -0.37 0.03 0.09 0.00 0.00 178.44 178.21 2dhm h ARG 19 N 0.00 -0.50 0.02 1.13 3.08 -1.00 -2.09 114.38 115.02 2dhm h ARG 19 Ca 0.74 0.03 -0.30 0.00 0.07 0.00 0.00 59.98 60.52 2dhm h ARG 19 Cb 3.14 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 33.26 2dhm h ARG 19 CO -0.01 -0.33 -1.74 0.00 -1.07 0.00 0.00 179.97 176.82 2dhm n ALA 20 N -2.83 1.41 -0.07 0.04 0.00 0.35 -1.92 120.51 117.51 2dhm n ALA 20 Ca -0.05 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.55 2dhm n ALA 20 Cb 0.35 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 2dhm n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhm h ALA 21 N 0.88 -0.44 0.00 0.00 0.00 -0.56 -3.37 119.26 115.77 2dhm h ALA 21 Ca -0.30 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 2dhm h ALA 21 Cb 2.02 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 20.57 2dhm h ALA 21 CO 0.08 -0.86 -1.55 1.19 0.00 0.00 0.00 179.25 178.12 2dhm n PHE 22 N -5.42 0.00 -2.21 0.00 3.72 -0.82 -5.04 117.46 107.68 2dhm n PHE 22 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 2dhm n PHE 22 Cb 0.35 -0.36 0.02 0.00 -0.94 0.00 0.00 39.48 38.55 2dhm n PHE 22 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2dhm n GLN 23 N -3.22 -1.28 -0.08 -1.08 6.02 -0.81 -5.06 117.38 111.87 2dhm n GLN 23 Ca -0.19 0.22 -0.02 0.00 -0.01 0.00 0.00 57.00 57.00 2dhm n GLN 23 Cb 0.65 -3.08 0.02 0.00 1.02 0.00 0.00 30.24 28.85 2dhm n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2dhm n PRO 24 N -1.84 -1.19 0.01 -1.09 -0.04 -1.26 -4.99 135.00 124.59 2dhm n PRO 24 Ca -0.05 -0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.38 2dhm n PRO 24 Cb 0.54 -0.13 -0.14 0.00 -0.04 0.00 0.00 33.50 33.73 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 -2.70 0.08 -4.12 0.52 0.24 -0.89 -4.97 118.33 106.50 2dhm n VAL 25 Ca 0.01 -0.48 -0.14 0.00 -2.04 0.00 0.00 64.34 61.70 2dhm n VAL 25 Cb 0.05 0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 32.31 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 -3.47 0.86 -0.27 6.34 2.19 -1.22 -4.98 117.98 117.42 2dhm s PHE 26 Ca -0.06 -0.59 -0.22 0.00 0.33 0.00 0.00 56.93 56.38 2dhm s PHE 26 Cb 0.14 -0.49 0.07 0.00 -1.31 0.00 0.00 43.02 41.43 2dhm s PHE 26 CO 0.89 -0.06 0.72 -1.17 1.83 0.00 0.00 175.22 177.43 2dhm s LEU 27 N -2.02 -0.80 -0.25 6.12 2.96 -1.26 -3.19 118.68 120.24 2dhm s LEU 27 Ca -0.02 1.46 -0.27 0.00 -0.22 0.00 0.00 54.13 55.08 2dhm s LEU 27 Cb -0.06 2.44 0.15 0.00 0.50 0.00 0.00 46.19 49.22 2dhm s LEU 27 CO -0.00 -0.25 1.16 -0.70 -1.32 0.00 0.00 176.35 175.24 2dhm s GLU 28 N 0.73 0.37 -0.01 1.98 2.12 -0.58 -5.01 118.70 118.30 2dhm s GLU 28 Ca -0.03 0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.62 2dhm s GLU 28 Cb -0.05 0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.51 2dhm s GLU 28 CO -0.05 -0.08 -0.15 0.08 -0.54 0.00 0.00 175.26 174.52 2dhm s VAL 29 N -0.37 1.20 -0.33 3.70 1.01 -1.26 -0.16 120.40 124.19 2dhm s VAL 29 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2dhm s VAL 29 Cb -0.03 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.44 2dhm s VAL 29 CO -0.06 0.33 0.04 -0.69 0.00 0.00 0.00 175.10 174.72 2dhm s VAL 30 N -0.37 2.45 0.10 2.92 1.01 -0.86 -5.02 120.40 120.63 2dhm s VAL 30 Ca 0.06 -2.13 -0.29 0.00 0.00 0.00 0.00 61.98 59.62 2dhm s VAL 30 Cb -0.06 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 2dhm s VAL 30 CO -0.01 -0.49 0.93 -1.81 0.00 0.00 0.00 175.10 173.72 2dhm s ASP 31 N 1.09 7.45 -0.70 3.32 1.11 -1.26 -3.49 116.67 124.19 2dhm s ASP 31 Ca 0.06 1.73 0.05 0.00 0.18 0.00 0.00 52.55 54.57 2dhm s ASP 31 Cb -0.20 -2.57 0.17 0.00 1.07 0.00 0.00 42.92 41.39 2dhm s ASP 31 CO -0.07 -0.05 0.49 -1.61 1.18 0.00 0.00 175.17 175.11 2dhm s GLU 32 N -0.01 2.47 -0.19 8.23 0.41 -1.25 -5.04 118.70 123.31 2dhm s GLU 32 Ca 0.45 -3.29 0.01 0.00 -0.41 0.00 0.00 54.97 51.73 2dhm s GLU 32 Cb -0.23 -3.44 0.04 0.00 -1.78 0.00 0.00 34.13 28.72 2dhm s GLU 32 CO 0.29 -1.27 -0.09 -1.54 -0.49 0.00 0.00 175.26 172.15 2dhm s SER 33 N -1.30 3.24 -0.10 -0.19 1.04 -1.26 -4.82 113.70 110.31 2dhm s SER 33 Ca 0.24 -0.82 -0.13 0.00 0.48 0.00 0.00 55.95 55.72 2dhm s SER 33 Cb -0.06 -1.16 -0.27 0.00 0.10 0.00 0.00 66.02 64.62 2dhm s SER 33 CO -0.15 -0.15 0.50 1.88 0.98 0.00 0.00 173.24 176.31 2dhm h TYR 34 N 8.01 0.48 -0.94 5.02 -1.99 -2.01 -3.36 116.97 122.18 2dhm h TYR 34 Ca -0.28 -0.35 -0.57 0.00 2.00 0.00 0.00 58.73 59.54 2dhm h TYR 34 Cb 1.10 -0.02 -0.28 0.00 2.00 0.00 0.00 36.73 39.53 2dhm h TYR 34 CO 0.49 1.64 0.73 0.54 -0.00 0.00 0.00 178.16 181.55 2dhm n ARG 35 N -3.78 2.39 -0.16 4.88 5.12 -1.26 -4.65 116.66 119.20 2dhm n ARG 35 Ca -0.27 -2.97 -0.02 0.00 -1.93 0.00 0.00 57.85 52.66 2dhm n ARG 35 Cb 0.96 -2.16 0.06 0.00 -1.16 0.00 0.00 32.46 30.15 2dhm n ARG 35 CO 0.00 0.00 0.00 1.12 -1.93 0.00 0.00 177.63 176.82 2dhm h HIS 36 N 1.45 -0.03 -0.72 -1.55 2.07 -1.99 -2.23 115.15 112.15 2dhm h HIS 36 Ca 0.59 0.04 0.12 0.00 -2.85 0.00 0.00 60.37 58.26 2dhm h HIS 36 Cb 1.78 0.09 -0.12 0.00 2.57 0.00 0.00 27.41 31.73 2dhm h HIS 36 CO 1.44 -0.11 -0.26 -1.71 -3.07 0.00 0.00 177.93 174.22 2dhm n ASN 37 N -5.23 -0.42 -4.89 3.10 2.85 -1.26 -4.26 115.26 105.15 2dhm n ASN 37 Ca 0.05 1.25 -0.31 0.00 -0.11 0.00 0.00 54.58 55.46 2dhm n ASN 37 Cb 0.27 -0.31 -0.05 0.00 1.24 0.00 0.00 39.78 40.93 2dhm n ASN 37 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2dhm s VAL 38 N -5.74 5.11 -0.70 3.44 -7.23 -0.84 -5.01 120.40 109.43 2dhm s VAL 38 Ca -0.10 0.13 -0.26 0.00 -1.81 0.00 0.00 61.98 59.94 2dhm s VAL 38 Cb 0.16 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 2dhm s VAL 38 CO 0.52 -0.00 1.89 -2.16 -0.31 0.00 0.00 175.10 175.04 2dhm s PRO 39 N -2.73 2.60 0.43 4.82 0.04 -1.26 -4.92 135.00 133.98 2dhm s PRO 39 Ca 0.43 0.35 0.02 0.00 0.04 0.00 0.00 61.00 61.84 2dhm s PRO 39 Cb -0.12 -4.58 0.02 0.00 0.04 0.00 0.00 34.50 29.86 2dhm s PRO 39 CO 0.24 -2.92 0.20 0.00 0.04 0.00 0.00 177.00 174.56 2dhm n ALA 40 N 13.12 0.55 -1.40 8.56 0.00 -1.26 -5.15 120.51 134.93 2dhm n ALA 40 Ca 0.26 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.91 2dhm n ALA 40 Cb 0.51 0.83 0.00 0.00 0.00 0.00 0.00 19.45 20.79 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 -0.13 0.91 3.24 0.00 0.00 -1.26 -5.10 105.19 102.85 2dhm n GLY 41 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.00 -0.48 -0.55 1.61 1.04 -1.26 -5.02 113.70 108.03 2dhm s SER 42 Ca 0.00 0.85 -0.02 0.00 0.48 0.00 0.00 55.95 57.26 2dhm s SER 42 Cb 0.00 0.73 0.35 0.00 0.10 0.00 0.00 66.02 67.20 2dhm s SER 42 CO 0.00 -0.19 2.06 -0.62 0.98 0.00 0.00 173.24 175.46 2dhm n GLU 43 N 4.27 2.39 -4.30 4.02 -0.58 -1.26 -4.86 120.64 120.32 2dhm n GLU 43 Ca -0.23 -2.69 -0.33 0.00 -0.42 0.00 0.00 57.16 53.48 2dhm n GLU 43 Cb 0.55 -2.06 -0.08 0.00 -0.57 0.00 0.00 31.44 29.28 2dhm n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2dhm n SER 44 N -0.42 -0.22 -3.72 1.62 3.41 -1.26 -4.91 113.62 108.12 2dhm n SER 44 Ca 0.51 -1.20 -0.30 0.00 -0.26 0.00 0.00 58.87 57.62 2dhm n SER 44 Cb 0.61 -1.94 -0.14 0.00 -0.26 0.00 0.00 64.21 62.48 2dhm n SER 44 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2dhm s HIS 45 N -3.98 1.87 -0.28 7.33 3.76 -1.26 -4.69 115.29 118.04 2dhm s HIS 45 Ca 0.24 -2.11 -0.15 0.00 -0.15 0.00 0.00 55.06 52.89 2dhm s HIS 45 Cb -0.14 -1.80 0.09 0.00 1.11 0.00 0.00 32.58 31.83 2dhm s HIS 45 CO 0.98 -0.83 0.69 0.12 -0.85 0.00 0.00 174.74 174.85 2dhm s PHE 46 N 0.95 -1.09 0.04 1.40 2.19 -1.24 -3.82 117.98 116.42 2dhm s PHE 46 Ca 0.14 2.14 0.04 0.00 0.33 0.00 0.00 56.93 59.59 2dhm s PHE 46 Cb -0.21 0.65 -0.02 0.00 -1.31 0.00 0.00 43.02 42.13 2dhm s PHE 46 CO -0.11 -0.54 -0.13 0.21 1.83 0.00 0.00 175.22 176.49 2dhm s LYS 47 N 1.76 0.82 -0.03 10.12 2.36 -1.23 -1.93 119.74 131.61 2dhm s LYS 47 Ca -0.10 -0.76 0.02 0.00 -2.55 0.00 0.00 55.97 52.59 2dhm s LYS 47 Cb -0.06 -0.79 0.01 0.00 -1.05 0.00 0.00 37.83 35.94 2dhm s LYS 47 CO -0.20 0.19 -0.07 0.08 1.55 0.00 0.00 175.35 176.90 2dhm s VAL 48 N -0.96 0.70 -0.19 4.02 1.01 -1.03 -2.03 120.40 121.92 2dhm s VAL 48 Ca -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2dhm s VAL 48 Cb -0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2dhm s VAL 48 CO 0.01 0.24 0.02 -0.69 0.00 0.00 0.00 175.10 174.68 2dhm s VAL 49 N 0.45 4.30 -0.16 2.92 1.01 0.78 -2.24 120.40 127.45 2dhm s VAL 49 Ca -0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 2dhm s VAL 49 Cb -0.11 -2.94 0.08 0.00 0.00 0.00 0.00 36.38 33.41 2dhm s VAL 49 CO 0.01 0.44 0.32 -0.22 0.00 0.00 0.00 175.10 175.65 2dhm s LEU 50 N 0.69 -0.43 -0.23 3.92 0.20 -1.19 -1.53 118.68 120.11 2dhm s LEU 50 Ca 0.01 0.67 -0.10 0.00 0.69 0.00 0.00 54.13 55.40 2dhm s LEU 50 Cb -0.14 0.92 -0.05 0.00 -0.43 0.00 0.00 46.19 46.50 2dhm s LEU 50 CO 0.02 -0.24 0.15 -0.69 -0.29 0.00 0.00 176.35 175.29 2dhm s VAL 51 N 2.49 5.34 -0.24 1.68 1.01 -1.19 -2.95 120.40 126.54 2dhm s VAL 51 Ca 0.01 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 2dhm s VAL 51 Cb -0.12 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.87 2dhm s VAL 51 CO -0.10 0.37 0.56 -0.55 0.00 0.00 0.00 175.10 175.38 2dhm s SER 52 N 0.86 -0.76 0.38 3.32 0.15 -0.54 -2.09 113.70 115.03 2dhm s SER 52 Ca 0.07 1.28 0.08 0.00 0.70 0.00 0.00 55.95 58.09 2dhm s SER 52 Cb -0.13 1.43 0.77 0.00 -1.71 0.00 0.00 66.02 66.38 2dhm s SER 52 CO 0.03 -0.22 1.94 -0.78 1.20 0.00 0.00 173.24 175.40 2dhm h ASP 53 N 7.46 0.32 -0.06 5.45 3.58 -1.95 -2.37 116.42 128.84 2dhm h ASP 53 Ca -0.27 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.15 2dhm h ASP 53 Cb 1.17 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.13 2dhm h ASP 53 CO 0.17 0.40 0.65 0.03 -2.88 0.00 0.00 179.24 177.62 2dhm h ARG 54 N 0.33 0.00 -1.48 0.28 2.47 -1.95 0.11 114.38 114.14 2dhm h ARG 54 Ca 0.07 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 58.38 2dhm h ARG 54 Cb 0.28 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.43 2dhm h ARG 54 CO 0.01 0.00 0.51 1.19 0.56 0.00 0.00 179.97 182.24 2dhm n PHE 55 N -2.79 1.88 -3.74 3.04 3.72 -0.89 -4.86 117.46 113.82 2dhm n PHE 55 Ca 0.00 -2.17 -0.35 0.00 -0.05 0.00 0.00 57.45 54.88 2dhm n PHE 55 Cb 0.69 -1.09 -0.08 0.00 -0.94 0.00 0.00 39.48 38.06 2dhm n PHE 55 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2dhm s THR 56 N -2.80 5.42 0.00 4.37 -1.32 0.38 -4.62 115.64 117.07 2dhm s THR 56 Ca 0.40 0.23 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 2dhm s THR 56 Cb 0.31 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.83 2dhm s THR 56 CO -0.03 0.47 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 2dhm n GLY 57 N 3.22 1.17 2.48 6.08 0.00 -1.26 -4.93 105.19 111.94 2dhm n GLY 57 Ca -0.16 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -0.55 1.61 1.02 -1.26 -4.90 120.64 116.56 2dhm n GLU 58 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 2dhm n GLU 58 Cb 0.00 -0.74 0.26 0.00 -0.02 0.00 0.00 31.44 30.94 2dhm n GLU 58 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dhm n ARG 59 N 0.85 -3.96 -0.04 3.49 5.12 -1.26 -4.81 116.66 116.05 2dhm n ARG 59 Ca 0.11 -1.49 -0.14 0.00 -1.93 0.00 0.00 57.85 54.40 2dhm n ARG 59 Cb 0.23 -1.67 -0.08 0.00 -1.16 0.00 0.00 32.46 29.78 2dhm n ARG 59 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2dhm h PHE 60 N -3.15 0.49 -0.07 -1.55 0.04 -1.99 -2.90 116.94 107.81 2dhm h PHE 60 Ca -0.38 -0.19 -0.21 0.00 2.80 0.00 0.00 57.97 60.00 2dhm h PHE 60 Cb 1.21 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.28 2dhm h PHE 60 CO 0.00 0.89 -0.80 1.25 -0.60 0.00 0.00 178.31 179.05 2dhm h LEU 61 N -0.05 0.61 -1.44 1.54 6.46 -1.97 0.22 115.31 120.68 2dhm h LEU 61 Ca -0.00 -0.42 0.04 0.00 -0.12 0.00 0.00 57.88 57.37 2dhm h LEU 61 Cb 0.89 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 2dhm h LEU 61 CO 0.06 1.19 0.42 0.78 -0.62 0.00 0.00 178.44 180.27 2dhm h ASN 62 N 0.32 0.63 0.03 1.25 4.21 -1.92 -0.51 115.58 119.59 2dhm h ASN 62 Ca -0.05 -0.01 -0.31 0.00 1.21 0.00 0.00 56.30 57.15 2dhm h ASN 62 Cb 1.41 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 38.43 2dhm h ASN 62 CO 0.14 0.43 -1.69 -2.11 -1.29 0.00 0.00 177.43 172.91 2dhm n ARG 63 N -4.47 0.61 0.10 0.81 1.85 -1.10 -4.33 116.66 110.14 2dhm n ARG 63 Ca 0.08 0.44 -0.15 0.00 -1.00 0.00 0.00 57.85 57.22 2dhm n ARG 63 Cb 0.15 -1.69 -0.08 0.00 -1.05 0.00 0.00 32.46 29.80 2dhm n ARG 63 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dhm h HIS 64 N -0.74 -1.28 -0.81 2.89 3.86 -0.51 -2.00 115.15 116.57 2dhm h HIS 64 Ca -0.44 0.04 0.19 0.00 -1.16 0.00 0.00 60.37 59.00 2dhm h HIS 64 Cb 1.53 0.55 -0.15 0.00 1.06 0.00 0.00 27.41 30.40 2dhm h HIS 64 CO 0.06 -0.54 -0.09 2.89 0.86 0.00 0.00 177.93 181.11 2dhm n ARG 65 N -5.47 -0.07 0.01 2.45 1.85 -0.21 0.11 116.66 115.33 2dhm n ARG 65 Ca -0.07 1.24 -0.15 0.00 -1.00 0.00 0.00 57.85 57.87 2dhm n ARG 65 Cb 0.39 -1.91 -0.10 0.00 -1.05 0.00 0.00 32.46 29.79 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 -0.58 -0.55 2.89 2.86 -1.55 -0.33 114.93 117.67 2dhm h MET 66 Ca 0.44 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.18 2dhm h MET 66 Cb 0.81 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 32.52 2dhm h MET 66 CO -0.80 -0.39 -0.49 0.82 1.06 0.00 0.00 176.91 177.12 2dhm h ILE 67 N -0.60 0.00 -0.39 -1.22 1.08 -0.33 -1.01 117.51 115.03 2dhm h ILE 67 Ca 0.03 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.58 2dhm h ILE 67 Cb 0.69 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.35 2dhm h ILE 67 CO -0.42 0.00 -0.24 1.88 -0.69 0.00 0.00 178.15 178.69 2dhm h TYR 68 N -0.21 -0.62 -0.94 1.37 0.05 -1.27 -0.32 116.97 115.02 2dhm h TYR 68 Ca 0.09 0.05 0.36 0.00 0.05 0.00 0.00 58.73 59.28 2dhm h TYR 68 Cb 0.45 0.33 -0.17 0.00 1.01 0.00 0.00 36.73 38.35 2dhm h TYR 68 CO -0.83 -0.32 0.39 0.45 -1.05 0.00 0.00 178.16 176.81 2dhm n SER 69 N -5.39 0.22 -0.03 3.88 2.88 -0.17 0.18 113.62 115.19 2dhm n SER 69 Ca 0.02 1.56 -0.12 0.00 -1.33 0.00 0.00 58.87 59.00 2dhm n SER 69 Cb 0.31 -0.72 -0.07 0.00 -0.75 0.00 0.00 64.21 62.98 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 -0.94 2.46 2.02 -0.77 -3.22 112.91 113.73 2dhm h THR 70 Ca 0.74 -0.83 -0.63 0.00 0.77 0.00 0.00 66.41 66.46 2dhm h THR 70 Cb 1.89 1.65 -0.35 0.00 -1.74 0.00 0.00 68.15 69.59 2dhm h THR 70 CO -0.76 0.23 0.13 0.18 0.37 0.00 0.00 175.52 175.68 2dhm n LEU 71 N -4.82 6.47 -0.15 2.58 4.77 0.27 -4.80 117.00 121.31 2dhm n LEU 71 Ca -0.06 -4.52 -0.10 0.00 -0.03 0.00 0.00 56.01 51.29 2dhm n LEU 71 Cb 0.21 -0.70 -0.05 0.00 -2.33 0.00 0.00 43.42 40.54 2dhm n LEU 71 CO 0.35 1.77 0.56 0.00 -1.33 0.00 0.00 177.39 178.74 2dhm h ALA 72 N 2.12 -0.47 0.06 -1.18 0.00 0.18 -0.69 119.26 119.28 2dhm h ALA 72 Ca 0.50 0.06 -0.33 0.00 0.00 0.00 0.00 54.91 55.15 2dhm h ALA 72 Cb 1.10 0.96 -0.03 0.00 0.00 0.00 0.00 17.79 19.81 2dhm h ALA 72 CO 1.22 -0.89 -1.80 0.39 0.00 0.00 0.00 179.25 178.17 2dhm n GLU 73 N -5.40 0.67 -0.31 0.00 -0.58 -1.26 -3.72 120.64 110.03 2dhm n GLU 73 Ca -0.00 0.37 0.11 0.00 -0.42 0.00 0.00 57.16 57.22 2dhm n GLU 73 Cb 0.35 -1.69 0.24 0.00 -0.57 0.00 0.00 31.44 29.77 2dhm n GLU 73 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2dhm h GLU 74 N -0.42 0.06 0.00 3.49 5.08 -1.88 1.51 114.58 122.42 2dhm h GLU 74 Ca -0.43 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 2dhm h GLU 74 Cb 1.72 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 2dhm h GLU 74 CO -0.08 0.04 -0.25 1.37 -1.00 0.00 0.00 179.01 179.09 2dhm h LEU 75 N 0.06 0.00 -1.89 1.33 8.10 -1.30 -2.87 115.31 118.74 2dhm h LEU 75 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.52 2dhm h LEU 75 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.26 2dhm h LEU 75 CO -0.82 0.25 0.00 -0.24 -4.11 0.00 0.00 178.44 173.52 2dhm n SER 76 N -3.31 2.76 -0.07 0.17 2.88 0.51 -3.38 113.62 113.18 2dhm n SER 76 Ca 0.01 -2.30 -0.04 0.00 -1.33 0.00 0.00 58.87 55.21 2dhm n SER 76 Cb 0.50 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 1.87 0.00 0.00 2.46 2.02 -1.04 -3.47 112.91 114.75 2dhm h THR 77 Ca 0.00 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.18 2dhm h THR 77 Cb 0.96 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2dhm h THR 77 CO 0.16 0.00 -0.65 1.07 0.37 0.00 0.00 175.52 176.47 2dhm n THR 78 N -4.63 0.00 -2.01 3.16 5.66 -1.26 -5.02 114.28 110.18 2dhm n THR 78 Ca -0.06 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.51 2dhm n THR 78 Cb 0.23 -0.33 -0.03 0.00 -1.55 0.00 0.00 70.33 68.65 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 -1.65 3.55 -0.07 1.08 1.01 -1.22 -4.63 120.40 118.47 2dhm s VAL 79 Ca 0.00 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 2dhm s VAL 79 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2dhm s VAL 79 CO 0.00 -0.19 -0.04 -0.74 0.00 0.00 0.00 175.10 174.13 2dhm h HIS 80 N 10.88 0.00 -3.54 5.22 -0.00 -1.91 -3.39 115.15 122.41 2dhm h HIS 80 Ca -0.37 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.34 2dhm h HIS 80 Cb 1.17 0.00 -0.22 0.00 -0.00 0.00 0.00 27.41 28.36 2dhm h HIS 80 CO 0.91 0.00 -0.72 0.00 -0.00 0.00 0.00 177.93 178.13 2dhm s ALA 81 N -2.75 2.85 0.02 5.26 0.00 -1.26 -5.04 121.76 120.84 2dhm s ALA 81 Ca -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2dhm s ALA 81 Cb 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 2dhm s ALA 81 CO 0.05 0.40 -0.08 -1.17 0.00 0.00 0.00 175.76 174.95 2dhm s LEU 82 N -0.21 2.12 -0.31 0.00 2.96 -1.26 -3.62 118.68 118.36 2dhm s LEU 82 Ca 0.02 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2dhm s LEU 82 Cb -0.13 -0.34 0.08 0.00 0.50 0.00 0.00 46.19 46.30 2dhm s LEU 82 CO 0.03 -0.01 -0.01 0.00 -1.32 0.00 0.00 176.35 175.03 2dhm s ALA 83 N -0.65 2.77 -0.07 5.97 0.00 -0.81 -5.02 121.76 123.94 2dhm s ALA 83 Ca -0.01 -2.12 -0.27 0.00 0.00 0.00 0.00 51.96 49.56 2dhm s ALA 83 Cb -0.06 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 2dhm s ALA 83 CO 0.00 -1.44 0.86 -0.51 0.00 0.00 0.00 175.76 174.67 2dhm s LEU 84 N 1.04 4.30 -0.78 0.00 1.43 -1.26 -2.47 118.68 120.94 2dhm s LEU 84 Ca 0.00 1.39 0.03 0.00 -1.03 0.00 0.00 54.13 54.52 2dhm s LEU 84 Cb -0.20 -3.34 0.21 0.00 0.03 0.00 0.00 46.19 42.89 2dhm s LEU 84 CO -0.06 -0.27 0.68 1.41 0.23 0.00 0.00 176.35 178.35 2dhm n HIS 85 N 4.28 3.62 -2.77 0.29 8.25 -0.95 -5.01 115.22 122.93 2dhm n HIS 85 Ca 0.04 -4.16 -0.43 0.00 -0.26 0.00 0.00 57.72 52.91 2dhm n HIS 85 Cb 0.50 -0.82 -0.04 0.00 1.12 0.00 0.00 29.99 30.76 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 -1.67 4.36 0.24 1.59 -4.23 -1.26 -3.17 115.64 111.50 2dhm s THR 86 Ca 0.29 0.72 0.08 0.00 -1.18 0.00 0.00 61.69 61.60 2dhm s THR 86 Cb -0.02 -4.52 -0.04 0.00 1.34 0.00 0.00 72.50 69.27 2dhm s THR 86 CO -0.12 -0.98 0.04 -0.31 -0.54 0.00 0.00 174.62 172.71 2dhm s TYR 87 N 4.03 2.83 -0.09 3.99 1.51 -1.15 -4.96 117.35 123.52 2dhm s TYR 87 Ca 0.38 -0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 56.23 2dhm s TYR 87 Cb -0.10 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 2dhm s TYR 87 CO 0.25 0.57 0.08 0.95 -1.11 0.00 0.00 175.55 176.29 2dhm s THR 88 N -2.11 4.93 0.33 -0.71 -4.23 -1.26 -1.46 115.64 111.13 2dhm s THR 88 Ca 0.31 -0.05 0.11 0.00 -1.18 0.00 0.00 61.69 60.88 2dhm s THR 88 Cb -0.08 -3.13 0.34 0.00 1.34 0.00 0.00 72.50 70.97 2dhm s THR 88 CO 0.21 0.58 1.63 0.40 -0.54 0.00 0.00 174.62 176.89 2dhm h ILE 89 N 3.95 0.19 0.36 2.99 5.03 -1.94 0.19 117.51 128.29 2dhm h ILE 89 Ca -0.53 -0.06 -0.02 0.00 -0.12 0.00 0.00 64.86 64.14 2dhm h ILE 89 Cb 1.21 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.00 2dhm h ILE 89 CO 0.57 0.03 -0.17 0.11 -0.68 0.00 0.00 178.15 178.01 2dhm h LYS 90 N 0.17 -0.47 -0.12 2.37 6.56 -1.99 0.21 116.57 123.31 2dhm h LYS 90 Ca 0.70 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 60.35 2dhm h LYS 90 Cb 1.63 0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 33.37 2dhm h LYS 90 CO -0.70 -0.24 -0.04 0.93 -2.06 0.00 0.00 179.45 177.34 2dhm h GLU 91 N -0.60 -0.02 -0.52 3.15 4.39 -1.15 -2.65 114.58 117.19 2dhm h GLU 91 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2dhm h GLU 91 Cb 0.44 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2dhm h GLU 91 CO 0.08 -0.01 0.34 2.35 -1.16 0.00 0.00 179.01 180.61 2dhm h TRP 92 N -0.02 0.67 -1.03 4.33 -0.00 -0.75 1.32 115.95 120.46 2dhm h TRP 92 Ca 0.06 0.01 0.39 0.00 -0.00 0.00 0.00 58.89 59.35 2dhm h TRP 92 Cb 0.11 -0.22 -0.16 0.00 -0.00 0.00 0.00 29.16 28.88 2dhm h TRP 92 CO -0.17 0.44 0.58 0.93 -0.00 0.00 0.00 178.44 180.22 2dhm h GLU 93 N 0.71 0.11 -0.47 2.65 4.39 -0.20 -2.88 114.58 118.89 2dhm h GLU 93 Ca 0.19 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.61 2dhm h GLU 93 Cb -0.06 -0.02 -0.29 0.00 -0.10 0.00 0.00 28.75 28.28 2dhm h GLU 93 CO -0.04 0.07 -0.80 0.41 -1.16 0.00 0.00 179.01 177.49 2dhm n GLY 94 N -1.30 1.57 0.25 -3.84 0.00 -0.94 -4.96 105.19 95.98 2dhm n GLY 94 Ca 0.36 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 2.37 -0.19 -3.83 0.99 7.12 0.19 -1.10 115.31 120.86 2dhm h LEU 95 Ca -0.21 0.15 -0.14 0.00 0.13 0.00 0.00 57.88 57.82 2dhm h LEU 95 Cb 1.25 0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 41.58 2dhm h LEU 95 CO 0.18 -0.09 -0.27 1.67 -0.13 0.00 0.00 178.44 179.80 2dhm n GLN 96 N -5.24 1.68 -0.60 1.25 7.27 -1.26 -4.93 117.38 115.55 2dhm n GLN 96 Ca 0.11 -0.73 -0.26 0.00 0.07 0.00 0.00 57.00 56.19 2dhm n GLN 96 Cb 0.39 -1.76 0.16 0.00 2.41 0.00 0.00 30.24 31.44 2dhm n GLN 96 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2dhm n ASP 97 N 2.30 -2.79 -3.56 1.69 8.00 -0.42 -5.05 116.55 116.72 2dhm n ASP 97 Ca 0.32 -0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 2dhm n ASP 97 Cb 0.78 -0.84 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 2dhm n ASP 97 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dhm s THR 98 N -2.14 0.00 0.63 -3.53 2.01 -1.26 -5.00 115.64 106.35 2dhm s THR 98 Ca 0.46 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.67 2dhm s THR 98 Cb -0.08 -1.00 0.26 0.00 0.01 0.00 0.00 72.50 71.70 2dhm s THR 98 CO 0.50 0.00 1.49 -0.37 -0.69 0.00 0.00 174.62 175.54 2dhm h VAL 99 N 2.71 0.08 -3.82 3.82 -1.51 -2.05 -3.36 116.25 112.11 2dhm h VAL 99 Ca -0.21 0.00 -0.67 0.00 -1.23 0.00 0.00 66.70 64.59 2dhm h VAL 99 Cb 1.16 0.28 -0.32 0.00 -2.13 0.00 0.00 31.29 30.28 2dhm h VAL 99 CO 0.33 0.00 -0.88 0.12 -1.23 0.00 0.00 177.57 175.91 2dhm s PHE 100 N -4.28 2.36 0.00 5.19 5.36 -1.26 -4.99 117.98 120.36 2dhm s PHE 100 Ca -0.02 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.17 2dhm s PHE 100 Cb 0.09 -1.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 2dhm s PHE 100 CO 0.32 -0.26 0.00 0.00 -1.46 0.00 0.00 175.22 173.82 2dhm n ALA 101 N 3.13 1.98 -3.52 11.12 0.00 -1.26 -5.09 120.51 126.87 2dhm n ALA 101 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 2dhm n ALA 101 Cb 0.52 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 2dhm n ALA 101 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dhm s SER 102 N -3.32 -0.65 0.57 0.00 1.04 -1.26 -5.16 113.70 104.91 2dhm s SER 102 Ca 0.00 0.71 -0.18 0.00 0.48 0.00 0.00 55.95 56.96 2dhm s SER 102 Cb 0.00 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 2dhm s SER 102 CO 0.00 -0.60 1.13 -2.16 0.98 0.00 0.00 173.24 172.58 2dhm s PRO 103 N -1.19 3.22 0.41 4.02 0.04 -1.26 -5.00 135.00 135.25 2dhm s PRO 103 Ca -0.11 1.56 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 2dhm s PRO 103 Cb -0.00 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 2dhm s PRO 103 CO 0.10 -0.94 1.18 -1.25 0.04 0.00 0.00 177.00 176.13 2dhm s PRO 104 N -3.47 3.98 0.80 0.56 0.04 -1.26 -4.97 135.00 130.68 2dhm s PRO 104 Ca 0.71 1.86 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 2dhm s PRO 104 Cb -0.23 -2.63 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 2dhm s PRO 104 CO 0.30 -0.39 -0.00 0.00 0.04 0.00 0.00 177.00 176.95 2dhm h ARG 106 N -0.70 0.10 0.00 0.00 3.08 -2.06 -3.57 114.38 111.23 2dhm h ARG 106 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2dhm h ARG 106 Cb 1.34 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2dhm h ARG 106 CO 0.35 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.73