#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 -4.90 -4.16 1.61 7.64 -1.26 -5.02 113.62 107.53 2dhm n SER 2 Ca 0.00 -0.47 -0.21 0.00 1.01 0.00 0.00 58.87 59.20 2dhm n SER 2 Cb 0.00 -4.31 -0.14 0.00 -1.01 0.00 0.00 64.21 58.75 2dhm n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dhm s SER 3 N -3.46 1.83 0.17 6.43 0.15 -1.26 -5.15 113.70 112.41 2dhm s SER 3 Ca 0.39 -0.45 -0.09 0.00 0.70 0.00 0.00 55.95 56.49 2dhm s SER 3 Cb -0.17 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 2dhm s SER 3 CO 0.61 0.07 0.29 -0.83 1.20 0.00 0.00 173.24 174.59 2dhm s GLY 4 N -1.08 0.52 0.35 9.45 0.00 -1.26 -5.18 107.32 110.12 2dhm s GLY 4 Ca 0.03 -0.91 -0.17 0.00 0.00 0.00 0.00 44.72 43.67 2dhm s GLY 4 CO 0.01 -0.84 0.80 -0.56 0.00 0.00 0.00 173.10 172.52 2dhm s SER 5 N -2.98 -0.03 0.35 1.64 0.01 -1.26 -5.19 113.70 106.24 2dhm s SER 5 Ca 0.18 -1.03 0.05 0.00 1.31 0.00 0.00 55.95 56.47 2dhm s SER 5 Cb 0.03 0.80 -0.07 0.00 0.21 0.00 0.00 66.02 67.00 2dhm s SER 5 CO 0.01 -1.58 0.03 -0.44 0.41 0.00 0.00 173.24 171.67 2dhm s SER 6 N -3.07 2.98 0.28 2.44 0.01 -1.26 -5.09 113.70 109.99 2dhm s SER 6 Ca 0.15 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2dhm s SER 6 Cb -0.05 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2dhm s SER 6 CO 0.10 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2dhm n GLY 7 N -0.79 -1.83 2.86 3.44 0.00 -1.26 -4.70 105.19 102.92 2dhm n GLY 7 Ca -0.04 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.43 1.79 -0.30 1.61 1.00 -1.26 -5.08 119.30 116.63 2dhm s MET 8 Ca 0.00 -2.49 -0.12 0.00 0.00 0.00 0.00 55.69 53.07 2dhm s MET 8 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 34.83 31.81 2dhm s MET 8 CO 0.00 -1.15 0.24 -1.64 0.00 0.00 0.00 175.02 172.48 2dhm s MET 9 N -0.20 3.82 0.05 2.03 1.00 -1.26 -4.99 119.30 119.76 2dhm s MET 9 Ca 0.18 -0.35 -0.28 0.00 0.00 0.00 0.00 55.69 55.24 2dhm s MET 9 Cb -0.23 -3.71 -0.17 0.00 0.00 0.00 0.00 34.83 30.72 2dhm s MET 9 CO -0.02 -0.29 1.52 0.82 0.00 0.00 0.00 175.02 177.06 2dhm h ILE 10 N 5.42 0.59 -0.66 2.53 1.08 -2.00 -2.92 117.51 121.55 2dhm h ILE 10 Ca -0.33 -0.19 0.06 0.00 -0.39 0.00 0.00 64.86 64.01 2dhm h ILE 10 Cb 1.17 0.69 -0.09 0.00 -3.07 0.00 0.00 36.82 35.52 2dhm h ILE 10 CO 0.60 0.04 -0.51 0.03 -0.69 0.00 0.00 178.15 177.61 2dhm h ARG 11 N -0.67 -0.14 -0.66 2.37 3.08 -2.00 0.33 114.38 116.70 2dhm h ARG 11 Ca -0.06 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.13 2dhm h ARG 11 Cb 0.49 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.45 2dhm h ARG 11 CO 0.09 -0.09 -0.27 0.93 -1.07 0.00 0.00 179.97 179.56 2dhm h GLU 12 N -0.15 -0.08 -0.96 0.04 5.08 -1.99 0.37 114.58 116.89 2dhm h GLU 12 Ca 0.11 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.63 2dhm h GLU 12 Cb 0.43 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.61 2dhm h GLU 12 CO -0.70 -0.06 0.61 0.00 -1.00 0.00 0.00 179.01 177.86 2dhm h ARG 13 N -0.09 0.76 0.08 2.33 3.08 -0.79 0.44 114.38 120.19 2dhm h ARG 13 Ca 0.29 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 2dhm h ARG 13 Cb 0.54 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2dhm h ARG 13 CO -0.71 0.50 -0.04 0.82 -1.07 0.00 0.00 179.97 179.47 2dhm h ILE 14 N 0.78 0.00 0.06 2.04 2.04 0.11 -3.11 117.51 119.43 2dhm h ILE 14 Ca 0.50 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 66.37 2dhm h ILE 14 Cb 0.75 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2dhm h ILE 14 CO -0.27 0.00 -0.25 -0.33 0.00 0.00 0.00 178.15 177.30 2dhm h GLU 15 N -0.13 -0.41 -0.72 2.37 5.08 -1.21 -1.90 114.58 117.67 2dhm h GLU 15 Ca -0.01 0.03 0.29 0.00 -1.00 0.00 0.00 59.36 58.67 2dhm h GLU 15 Cb 0.09 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.30 2dhm h GLU 15 CO 0.02 -0.27 0.35 0.39 -1.00 0.00 0.00 179.01 178.50 2dhm n GLU 16 N -5.37 -0.04 -0.00 2.33 1.02 0.15 -0.77 120.64 117.95 2dhm n GLU 16 Ca -0.06 1.00 -0.01 0.00 -0.02 0.00 0.00 57.16 58.07 2dhm n GLU 16 Cb 0.28 -1.77 -0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 -0.04 -0.78 3.49 1.79 -1.29 -3.35 116.57 116.39 2dhm h LYS 17 Ca 0.59 0.00 0.25 0.00 -2.18 0.00 0.00 60.65 59.31 2dhm h LYS 17 Cb 1.54 0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 32.06 2dhm h LYS 17 CO -0.56 -0.03 0.14 1.28 -1.08 0.00 0.00 179.45 179.20 2dhm n LEU 18 N -3.30 0.02 -0.34 2.94 4.77 -0.08 0.65 117.00 121.66 2dhm n LEU 18 Ca -0.01 1.32 0.02 0.00 -0.03 0.00 0.00 56.01 57.31 2dhm n LEU 18 Cb 0.02 -0.53 0.09 0.00 -2.33 0.00 0.00 43.42 40.67 2dhm n LEU 18 CO 0.01 -1.38 0.64 0.03 -1.33 0.00 0.00 177.39 175.37 2dhm h ARG 19 N 0.00 -0.01 0.00 3.23 2.47 -1.08 -0.06 114.38 118.92 2dhm h ARG 19 Ca 0.53 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 59.00 2dhm h ARG 19 Cb 1.21 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.49 2dhm h ARG 19 CO -0.69 -0.01 -1.69 0.00 0.56 0.00 0.00 179.97 178.14 2dhm n ALA 20 N -3.49 1.67 0.11 0.04 0.00 0.21 -2.25 120.51 116.80 2dhm n ALA 20 Ca 0.12 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 2dhm n ALA 20 Cb 0.44 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 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 1.16 -0.93 0.00 0.00 0.00 0.12 -3.38 119.26 116.23 2dhm h ALA 21 Ca -0.27 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 2dhm h ALA 21 Cb 1.87 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 20.40 2dhm h ALA 21 CO 0.06 -1.02 -1.60 1.19 0.00 0.00 0.00 179.25 177.88 2dhm n PHE 22 N -4.77 0.00 -2.47 0.00 3.72 -0.37 -5.04 117.46 108.54 2dhm n PHE 22 Ca -0.07 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.26 2dhm n PHE 22 Cb 0.32 -0.41 0.03 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.76 -2.16 0.00 -1.08 6.02 -0.96 -5.05 117.38 111.40 2dhm n GLN 23 Ca -0.18 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2dhm n GLN 23 Cb 0.71 -3.69 0.00 0.00 1.02 0.00 0.00 30.24 28.28 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 -2.25 -0.96 -0.08 -1.09 -0.04 -1.26 -5.01 135.00 124.31 2dhm n PRO 24 Ca -0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.31 2dhm n PRO 24 Cb 0.56 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.87 2dhm n PRO 24 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dhm n VAL 25 N -2.45 1.13 -4.38 0.52 3.14 -0.83 -4.98 118.33 110.49 2dhm n VAL 25 Ca 0.00 -0.78 -0.28 0.00 -2.96 0.00 0.00 64.34 60.32 2dhm n VAL 25 Cb 0.00 -0.39 -0.13 0.00 -1.06 0.00 0.00 33.84 32.26 2dhm n VAL 25 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 2dhm s PHE 26 N -2.65 2.23 -0.29 1.45 5.36 -1.19 -4.99 117.98 117.90 2dhm s PHE 26 Ca -0.09 -0.38 -0.14 0.00 -0.96 0.00 0.00 56.93 55.35 2dhm s PHE 26 Cb 0.07 -1.18 0.10 0.00 -0.34 0.00 0.00 43.02 41.67 2dhm s PHE 26 CO 0.82 0.35 0.70 -1.17 -1.46 0.00 0.00 175.22 174.47 2dhm s LEU 27 N -2.17 -0.98 -0.28 6.12 2.96 -1.26 -3.36 118.68 119.71 2dhm s LEU 27 Ca 0.14 1.48 -0.16 0.00 -0.22 0.00 0.00 54.13 55.37 2dhm s LEU 27 Cb -0.09 2.31 0.11 0.00 0.50 0.00 0.00 46.19 49.01 2dhm s LEU 27 CO 0.06 -0.22 0.82 -0.70 -1.32 0.00 0.00 176.35 174.99 2dhm s GLU 28 N 2.03 0.56 -0.06 1.98 -6.30 -0.77 -5.02 118.70 111.12 2dhm s GLU 28 Ca -0.09 0.96 0.02 0.00 -2.50 0.00 0.00 54.97 53.37 2dhm s GLU 28 Cb -0.07 0.12 -0.03 0.00 0.00 0.00 0.00 34.13 34.15 2dhm s GLU 28 CO -0.19 -0.12 -0.12 0.08 0.02 0.00 0.00 175.26 174.93 2dhm s VAL 29 N 1.46 3.28 -0.19 3.70 1.01 -1.26 -0.23 120.40 128.16 2dhm s VAL 29 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2dhm s VAL 29 Cb -0.04 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2dhm s VAL 29 CO -0.17 0.59 -0.16 -0.69 0.00 0.00 0.00 175.10 174.66 2dhm s VAL 30 N -0.64 2.32 -0.10 2.92 1.01 -0.52 -5.02 120.40 120.37 2dhm s VAL 30 Ca 0.09 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 2dhm s VAL 30 Cb -0.11 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2dhm s VAL 30 CO 0.01 0.48 0.15 1.51 0.00 0.00 0.00 175.10 177.25 2dhm s ASP 31 N 1.32 6.38 -0.26 3.32 1.47 -1.26 -3.13 116.67 124.52 2dhm s ASP 31 Ca 0.04 0.45 -0.02 0.00 1.18 0.00 0.00 52.55 54.21 2dhm s ASP 31 Cb -0.14 -2.06 0.08 0.00 -0.34 0.00 0.00 42.92 40.47 2dhm s ASP 31 CO -0.11 0.39 0.07 -1.61 0.68 0.00 0.00 175.17 174.59 2dhm s GLU 32 N -1.16 0.65 -0.12 2.11 0.41 -1.24 -5.06 118.70 114.29 2dhm s GLU 32 Ca 0.17 -0.73 -0.05 0.00 -0.41 0.00 0.00 54.97 53.95 2dhm s GLU 32 Cb -0.12 -1.95 0.06 0.00 -1.78 0.00 0.00 34.13 30.33 2dhm s GLU 32 CO 0.06 -0.83 0.27 -1.12 -0.49 0.00 0.00 175.26 173.15 2dhm s SER 33 N 1.78 -0.07 -0.30 -0.19 0.01 -1.26 -4.08 113.70 109.58 2dhm s SER 33 Ca 0.05 0.60 -0.20 0.00 1.31 0.00 0.00 55.95 57.70 2dhm s SER 33 Cb -0.17 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 2dhm s SER 33 CO -0.19 -0.20 0.63 -0.31 0.41 0.00 0.00 173.24 173.58 2dhm s TYR 34 N 1.73 3.22 0.14 2.43 1.51 -1.26 -4.95 117.35 120.17 2dhm s TYR 34 Ca -0.05 0.60 -0.13 0.00 -1.01 0.00 0.00 57.07 56.48 2dhm s TYR 34 Cb -0.11 -2.98 0.01 0.00 -0.11 0.00 0.00 41.96 38.77 2dhm s TYR 34 CO -0.09 -0.46 1.59 0.07 -1.11 0.00 0.00 175.55 175.55 2dhm h ARG 35 N 8.16 0.84 -6.13 -0.62 0.11 -2.00 -3.45 114.38 111.29 2dhm h ARG 35 Ca -0.27 -0.27 -0.61 0.00 0.10 0.00 0.00 59.98 58.93 2dhm h ARG 35 Cb 1.12 -0.07 0.17 0.00 1.11 0.00 0.00 29.97 32.29 2dhm h ARG 35 CO 0.80 0.89 -0.85 0.72 0.10 0.00 0.00 179.97 181.64 2dhm n HIS 36 N -4.34 -1.90 -0.97 4.08 8.25 -1.26 -4.77 115.22 114.30 2dhm n HIS 36 Ca 0.00 0.54 -0.14 0.00 -0.26 0.00 0.00 57.72 57.87 2dhm n HIS 36 Cb 0.32 -1.81 -0.06 0.00 1.12 0.00 0.00 29.99 29.56 2dhm n HIS 36 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2dhm n ASN 37 N 1.95 5.84 -3.59 0.41 3.02 -1.26 -4.81 115.26 116.82 2dhm n ASN 37 Ca 0.10 -2.77 -0.16 0.00 -0.03 0.00 0.00 54.58 51.72 2dhm n ASN 37 Cb 0.43 -1.22 -0.07 0.00 -0.61 0.00 0.00 39.78 38.31 2dhm n ASN 37 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2dhm s VAL 38 N -0.76 0.01 0.32 2.41 -7.23 -1.26 -5.16 120.40 108.73 2dhm s VAL 38 Ca 0.41 -0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 60.19 2dhm s VAL 38 Cb 0.24 -0.90 -0.10 0.00 0.56 0.00 0.00 36.38 36.18 2dhm s VAL 38 CO -0.05 -0.06 1.22 -2.16 -0.31 0.00 0.00 175.10 173.75 2dhm s PRO 39 N -1.02 4.44 -0.01 4.82 0.04 -1.26 -4.95 135.00 137.07 2dhm s PRO 39 Ca -0.10 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.05 2dhm s PRO 39 Cb -0.02 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.34 2dhm s PRO 39 CO 0.08 -0.05 0.20 0.00 0.04 0.00 0.00 177.00 177.26 2dhm n ALA 40 N 0.90 2.50 0.00 8.56 0.00 -1.26 -5.06 120.51 126.14 2dhm n ALA 40 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2dhm n ALA 40 Cb 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 1.72 2.25 3.10 0.00 0.00 -1.26 -5.01 105.19 106.00 2dhm n GLY 41 Ca -0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 5.94 0.13 1.61 1.04 -1.26 -4.90 113.70 116.27 2dhm s SER 42 Ca 0.00 -3.71 -0.16 0.00 0.48 0.00 0.00 55.95 52.56 2dhm s SER 42 Cb 0.00 -1.90 -0.01 0.00 0.10 0.00 0.00 66.02 64.21 2dhm s SER 42 CO 0.00 -0.18 1.71 -0.33 0.98 0.00 0.00 173.24 175.42 2dhm h GLU 43 N 6.01 0.54 -3.70 4.02 5.08 -1.95 -3.34 114.58 121.24 2dhm h GLU 43 Ca 0.15 -0.08 -0.78 0.00 -1.00 0.00 0.00 59.36 57.66 2dhm h GLU 43 Cb 0.81 -0.10 -0.28 0.00 0.50 0.00 0.00 28.75 29.69 2dhm h GLU 43 CO 0.85 0.48 0.13 -1.12 -1.00 0.00 0.00 179.01 178.35 2dhm s SER 44 N -5.74 6.71 -0.63 1.42 0.01 -1.26 -4.55 113.70 109.66 2dhm s SER 44 Ca -0.13 -3.01 0.05 0.00 1.31 0.00 0.00 55.95 54.16 2dhm s SER 44 Cb 0.10 -2.16 0.17 0.00 0.21 0.00 0.00 66.02 64.34 2dhm s SER 44 CO 0.74 -0.45 0.46 -2.28 0.41 0.00 0.00 173.24 172.11 2dhm s HIS 45 N -0.34 2.95 -0.11 2.43 2.46 -1.26 -4.93 115.29 116.50 2dhm s HIS 45 Ca 0.22 -3.09 -0.05 0.00 0.47 0.00 0.00 55.06 52.61 2dhm s HIS 45 Cb -0.11 -2.26 -0.04 0.00 -0.13 0.00 0.00 32.58 30.05 2dhm s HIS 45 CO -0.08 -0.61 0.09 0.12 -2.47 0.00 0.00 174.74 171.78 2dhm s PHE 46 N -1.09 3.43 -0.13 3.88 5.36 -1.26 -3.59 117.98 124.59 2dhm s PHE 46 Ca 0.27 0.39 -0.13 0.00 -0.96 0.00 0.00 56.93 56.49 2dhm s PHE 46 Cb -0.02 -1.89 0.04 0.00 -0.34 0.00 0.00 43.02 40.80 2dhm s PHE 46 CO -0.18 0.61 0.37 0.21 -1.46 0.00 0.00 175.22 174.78 2dhm s LYS 47 N -0.91 0.47 -0.06 10.12 2.36 -1.18 -1.09 119.74 129.45 2dhm s LYS 47 Ca 0.14 0.44 0.03 0.00 -2.55 0.00 0.00 55.97 54.03 2dhm s LYS 47 Cb -0.12 0.23 0.01 0.00 -1.05 0.00 0.00 37.83 36.90 2dhm s LYS 47 CO 0.03 -0.07 -0.13 0.08 1.55 0.00 0.00 175.35 176.82 2dhm s VAL 48 N 0.02 1.14 -0.24 4.02 1.01 -1.19 -1.44 120.40 123.72 2dhm s VAL 48 Ca -0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 2dhm s VAL 48 Cb -0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2dhm s VAL 48 CO 0.01 0.35 0.12 -0.69 0.00 0.00 0.00 175.10 174.90 2dhm s VAL 49 N 0.50 4.99 -0.12 2.92 1.01 0.68 -1.94 120.40 128.44 2dhm s VAL 49 Ca -0.11 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 2dhm s VAL 49 Cb -0.14 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 32.97 2dhm s VAL 49 CO 0.03 0.35 0.15 -0.22 0.00 0.00 0.00 175.10 175.41 2dhm s LEU 50 N 1.18 0.02 -0.27 3.92 0.20 -1.19 -1.84 118.68 120.70 2dhm s LEU 50 Ca 0.06 0.02 -0.09 0.00 0.69 0.00 0.00 54.13 54.81 2dhm s LEU 50 Cb -0.14 0.16 -0.03 0.00 -0.43 0.00 0.00 46.19 45.74 2dhm s LEU 50 CO 0.05 -0.28 0.13 -0.69 -0.29 0.00 0.00 176.35 175.27 2dhm s VAL 51 N 2.26 4.73 0.02 1.68 1.01 -1.21 -2.34 120.40 126.55 2dhm s VAL 51 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2dhm s VAL 51 Cb -0.13 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2dhm s VAL 51 CO -0.07 0.26 -0.06 -0.55 0.00 0.00 0.00 175.10 174.68 2dhm s SER 52 N 1.67 0.63 0.05 3.32 0.15 -0.56 -1.96 113.70 117.00 2dhm s SER 52 Ca 0.06 -0.37 0.22 0.00 0.70 0.00 0.00 55.95 56.57 2dhm s SER 52 Cb -0.16 0.01 -0.14 0.00 -1.71 0.00 0.00 66.02 64.02 2dhm s SER 52 CO 0.07 -0.12 0.80 -0.67 1.20 0.00 0.00 173.24 174.52 2dhm n ASP 53 N 2.05 0.45 0.10 5.45 2.03 -1.26 -4.07 116.55 121.30 2dhm n ASP 53 Ca -0.19 -0.07 0.09 0.00 0.52 0.00 0.00 54.79 55.14 2dhm n ASP 53 Cb 0.56 1.22 0.43 0.00 -0.72 0.00 0.00 41.12 42.61 2dhm n ASP 53 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dhm n ARG 54 N -2.20 0.12 0.19 -0.67 5.12 -1.26 -1.79 116.66 116.17 2dhm n ARG 54 Ca -0.01 0.47 0.06 0.00 -1.93 0.00 0.00 57.85 56.44 2dhm n ARG 54 Cb 0.51 -1.80 0.37 0.00 -1.16 0.00 0.00 32.46 30.38 2dhm n ARG 54 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2dhm h PHE 55 N 0.00 0.00 -2.02 -1.55 0.04 -1.97 -3.43 116.94 108.01 2dhm h PHE 55 Ca 0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 2dhm h PHE 55 Cb 0.19 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.46 2dhm h PHE 55 CO 0.00 0.36 -0.19 -2.37 -0.60 0.00 0.00 178.31 175.51 2dhm n THR 56 N -3.60 1.94 0.00 -1.55 5.66 -0.74 -1.99 114.28 113.99 2dhm n THR 56 Ca -0.01 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 2dhm n THR 56 Cb 0.48 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 1.58 1.15 3.17 1.09 0.00 -1.26 -4.93 105.19 105.99 2dhm n GLY 57 Ca 0.12 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 0.02 -1.17 1.61 1.02 -0.84 -4.91 120.64 116.36 2dhm n GLU 58 Ca 0.00 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 2dhm n GLU 58 Cb 0.00 -1.06 0.16 0.00 -0.02 0.00 0.00 31.44 30.51 2dhm n GLU 58 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2dhm s ARG 59 N -1.54 0.82 -0.03 3.49 0.52 -1.26 -4.98 118.95 115.97 2dhm s ARG 59 Ca 0.51 0.68 -0.22 0.00 -0.52 0.00 0.00 55.73 56.17 2dhm s ARG 59 Cb -0.36 -1.77 -0.23 0.00 0.52 0.00 0.00 34.95 33.11 2dhm s ARG 59 CO 0.72 -2.50 1.07 0.74 0.02 0.00 0.00 175.30 175.35 2dhm h PHE 60 N -1.73 0.40 0.00 -0.53 -1.00 -1.95 -3.16 116.94 108.96 2dhm h PHE 60 Ca -0.52 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.05 2dhm h PHE 60 Cb 1.31 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.82 2dhm h PHE 60 CO 0.36 1.01 0.00 1.28 -1.61 0.00 0.00 178.31 179.35 2dhm n LEU 61 N -4.40 0.00 -0.39 1.54 4.77 -1.26 -1.48 117.00 115.78 2dhm n LEU 61 Ca -0.10 0.99 0.32 0.00 -0.03 0.00 0.00 56.01 57.19 2dhm n LEU 61 Cb 0.56 -0.49 0.59 0.00 -2.33 0.00 0.00 43.42 41.75 2dhm n LEU 61 CO 0.42 -0.49 1.21 -0.55 -1.33 0.00 0.00 177.39 176.64 2dhm h ASN 62 N 0.00 0.33 -0.21 -1.43 7.08 -1.98 -1.99 115.58 117.38 2dhm h ASN 62 Ca 0.00 0.14 0.02 0.00 -3.08 0.00 0.00 56.30 53.38 2dhm h ASN 62 Cb 0.00 0.11 -0.03 0.00 -2.08 0.00 0.00 38.32 36.32 2dhm h ASN 62 CO 0.00 -0.13 -0.12 -1.14 -2.08 0.00 0.00 177.43 173.96 2dhm n ARG 63 N -4.76 -0.09 0.10 4.14 0.63 -0.55 -0.47 116.66 115.67 2dhm n ARG 63 Ca 0.34 1.04 -0.12 0.00 -0.92 0.00 0.00 57.85 58.19 2dhm n ARG 63 Cb 1.23 -1.56 -0.08 0.00 0.45 0.00 0.00 32.46 32.51 2dhm n ARG 63 CO 0.00 0.00 0.00 1.12 -2.51 0.00 0.00 177.63 176.24 2dhm h HIS 64 N 0.00 -0.27 -0.67 -0.14 2.07 -1.40 -3.31 115.15 111.43 2dhm h HIS 64 Ca 0.03 -0.01 0.06 0.00 -2.85 0.00 0.00 60.37 57.61 2dhm h HIS 64 Cb 0.09 0.09 -0.08 0.00 2.57 0.00 0.00 27.41 30.08 2dhm h HIS 64 CO -0.90 0.10 -0.40 0.54 -3.07 0.00 0.00 177.93 174.20 2dhm n ARG 65 N -5.03 -0.30 -0.35 5.12 1.74 -0.98 0.12 116.66 116.98 2dhm n ARG 65 Ca -0.09 1.07 0.09 0.00 -0.77 0.00 0.00 57.85 58.15 2dhm n ARG 65 Cb 0.26 -1.58 0.20 0.00 -1.02 0.00 0.00 32.46 30.32 2dhm n ARG 65 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2dhm h MET 66 N 0.00 0.00 0.31 5.56 2.86 -0.85 0.41 114.93 123.22 2dhm h MET 66 Ca 0.11 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2dhm h MET 66 Cb 0.28 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2dhm h MET 66 CO -0.63 0.00 -0.18 0.82 1.06 0.00 0.00 176.91 177.99 2dhm h ILE 67 N 0.00 0.63 -0.05 -1.22 1.08 0.75 -2.14 117.51 116.57 2dhm h ILE 67 Ca 0.52 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.00 2dhm h ILE 67 Cb 0.92 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.30 2dhm h ILE 67 CO -0.97 0.00 0.03 1.88 -0.69 0.00 0.00 178.15 178.40 2dhm h TYR 68 N -0.46 0.00 -0.14 1.37 0.05 0.07 -1.84 116.97 116.02 2dhm h TYR 68 Ca -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 2dhm h TYR 68 Cb 0.37 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 2dhm h TYR 68 CO -0.08 0.00 0.03 0.77 -1.05 0.00 0.00 178.16 177.83 2dhm h SER 69 N 0.00 0.22 0.48 3.88 0.02 0.26 1.98 113.55 120.39 2dhm h SER 69 Ca 0.02 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.65 2dhm h SER 69 Cb 0.09 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2dhm h SER 69 CO -0.00 0.40 -0.40 0.74 -1.14 0.00 0.00 176.83 176.43 2dhm h THR 70 N 0.03 1.18 -0.17 -2.27 2.02 -0.89 -2.97 112.91 109.84 2dhm h THR 70 Ca 0.04 -1.40 -0.07 0.00 0.77 0.00 0.00 66.41 65.75 2dhm h THR 70 Cb 0.26 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 2dhm h THR 70 CO 0.00 0.39 -0.21 0.18 0.37 0.00 0.00 175.52 176.25 2dhm n LEU 71 N -3.92 3.34 0.33 2.58 4.77 -0.75 -4.70 117.00 118.65 2dhm n LEU 71 Ca -0.02 -3.65 0.21 0.00 -0.03 0.00 0.00 56.01 52.52 2dhm n LEU 71 Cb 0.44 -0.56 1.12 0.00 -2.33 0.00 0.00 43.42 42.09 2dhm n LEU 71 CO 0.38 1.18 1.17 0.00 -1.33 0.00 0.00 177.39 178.79 2dhm h ALA 72 N 0.94 1.15 0.00 -1.18 0.00 0.33 -0.91 119.26 119.59 2dhm h ALA 72 Ca 0.09 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 2dhm h ALA 72 Cb 1.31 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2dhm h ALA 72 CO 0.18 -0.06 -1.94 -0.85 0.00 0.00 0.00 179.25 176.58 2dhm n GLU 73 N -3.19 0.65 -0.01 0.00 0.28 -1.26 -3.98 120.64 113.13 2dhm n GLU 73 Ca -0.03 0.14 -0.10 0.00 -0.16 0.00 0.00 57.16 57.02 2dhm n GLU 73 Cb 0.12 -1.68 -0.03 0.00 1.43 0.00 0.00 31.44 31.29 2dhm n GLU 73 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2dhm h GLU 74 N 0.00 -0.32 0.00 3.44 5.08 -1.50 0.85 114.58 122.14 2dhm h GLU 74 Ca -0.35 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2dhm h GLU 74 Cb 1.98 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 2dhm h GLU 74 CO 0.05 -0.21 -0.07 1.37 -1.00 0.00 0.00 179.01 179.14 2dhm h LEU 75 N -0.33 0.00 -0.89 1.33 -0.00 -1.71 -1.72 115.31 111.99 2dhm h LEU 75 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2dhm h LEU 75 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2dhm h LEU 75 CO -0.35 0.07 0.00 -1.20 -0.00 0.00 0.00 178.44 176.97 2dhm n SER 76 N -3.26 1.34 0.00 0.17 7.64 0.11 -4.42 113.62 115.20 2dhm n SER 76 Ca -0.00 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.28 2dhm n SER 76 Cb 0.29 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2dhm n SER 76 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2dhm n THR 77 N 0.09 0.00 0.05 0.44 -1.04 -0.13 -5.03 114.28 108.65 2dhm n THR 77 Ca 0.17 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 2dhm n THR 77 Cb 0.29 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 2dhm n THR 77 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2dhm n THR 78 N -2.38 0.51 -1.60 12.58 -1.04 -1.07 -5.06 114.28 116.22 2dhm n THR 78 Ca 0.00 0.17 -0.47 0.00 -2.04 0.00 0.00 64.05 61.70 2dhm n THR 78 Cb 0.00 -1.25 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 2dhm n THR 78 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2dhm n VAL 79 N -3.22 1.12 -0.07 12.58 0.31 -1.19 -4.93 118.33 122.93 2dhm n VAL 79 Ca 0.00 -0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 63.96 2dhm n VAL 79 Cb 0.15 -0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 32.07 2dhm n VAL 79 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2dhm n HIS 80 N 1.31 0.00 -4.38 3.52 -0.00 -1.26 -4.17 115.22 110.24 2dhm n HIS 80 Ca 0.13 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.64 2dhm n HIS 80 Cb 0.27 -0.44 -0.16 0.00 -0.00 0.00 0.00 29.99 29.66 2dhm n HIS 80 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dhm s ALA 81 N -2.71 0.90 -0.01 1.57 0.00 -1.26 -4.99 121.76 115.27 2dhm s ALA 81 Ca -0.24 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.46 2dhm s ALA 81 Cb 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2dhm s ALA 81 CO 0.35 0.10 -0.07 -1.17 0.00 0.00 0.00 175.76 174.97 2dhm s LEU 82 N 0.44 2.01 -0.67 0.00 2.96 -1.26 -4.08 118.68 118.08 2dhm s LEU 82 Ca -0.07 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.58 2dhm s LEU 82 Cb -0.11 -0.39 0.17 0.00 0.50 0.00 0.00 46.19 46.36 2dhm s LEU 82 CO 0.01 0.09 0.59 0.00 -1.32 0.00 0.00 176.35 175.72 2dhm s ALA 83 N -0.16 3.80 -0.07 5.97 0.00 -0.25 -4.99 121.76 126.05 2dhm s ALA 83 Ca 0.03 -2.99 -0.30 0.00 0.00 0.00 0.00 51.96 48.70 2dhm s ALA 83 Cb -0.03 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2dhm s ALA 83 CO -0.00 -2.13 1.44 -0.51 0.00 0.00 0.00 175.76 174.56 2dhm s LEU 84 N 0.70 4.28 -0.79 0.00 1.43 -1.26 -3.16 118.68 119.87 2dhm s LEU 84 Ca 0.12 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 2dhm s LEU 84 Cb -0.19 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.68 2dhm s LEU 84 CO -0.04 -0.80 0.63 -1.00 0.23 0.00 0.00 176.35 175.37 2dhm s HIS 85 N 3.29 3.73 -0.12 0.29 3.76 -0.82 -4.99 115.29 120.44 2dhm s HIS 85 Ca 0.64 -3.21 -0.22 0.00 -0.15 0.00 0.00 55.06 52.12 2dhm s HIS 85 Cb -0.29 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.41 2dhm s HIS 85 CO 0.24 -0.63 0.65 0.95 -0.85 0.00 0.00 174.74 175.10 2dhm s THR 86 N -1.42 5.05 0.23 1.30 -4.23 -1.26 -3.16 115.64 112.16 2dhm s THR 86 Ca 0.26 1.31 0.03 0.00 -1.18 0.00 0.00 61.69 62.11 2dhm s THR 86 Cb -0.06 -3.98 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 2dhm s THR 86 CO -0.15 0.21 0.00 -0.31 -0.54 0.00 0.00 174.62 173.84 2dhm s TYR 87 N 1.14 1.57 0.03 3.99 1.51 -0.99 -5.02 117.35 119.59 2dhm s TYR 87 Ca 0.33 -0.93 0.03 0.00 -1.01 0.00 0.00 57.07 55.50 2dhm s TYR 87 Cb -0.17 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 2dhm s TYR 87 CO 0.14 -0.04 -0.03 0.95 -1.11 0.00 0.00 175.55 175.46 2dhm s THR 88 N -3.42 3.90 0.45 -0.71 -4.23 -1.26 -1.50 115.64 108.86 2dhm s THR 88 Ca 0.29 -0.78 0.32 0.00 -1.18 0.00 0.00 61.69 60.34 2dhm s THR 88 Cb 0.06 -2.75 0.51 0.00 1.34 0.00 0.00 72.50 71.65 2dhm s THR 88 CO 0.09 0.31 1.60 0.40 -0.54 0.00 0.00 174.62 176.48 2dhm h ILE 89 N 3.46 0.06 0.41 2.99 5.03 -1.91 0.68 117.51 128.22 2dhm h ILE 89 Ca -0.48 -0.01 -0.02 0.00 -0.12 0.00 0.00 64.86 64.22 2dhm h ILE 89 Cb 1.17 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.98 2dhm h ILE 89 CO 0.56 0.01 -0.20 0.11 -0.68 0.00 0.00 178.15 177.95 2dhm h LYS 90 N 0.04 -0.54 -1.03 2.37 1.79 -1.95 0.21 116.57 117.46 2dhm h LYS 90 Ca 0.86 0.04 0.26 0.00 -2.18 0.00 0.00 60.65 59.62 2dhm h LYS 90 Cb 2.77 0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 33.43 2dhm h LYS 90 CO -0.43 -0.36 0.64 0.93 -1.08 0.00 0.00 179.45 179.15 2dhm h GLU 91 N -0.93 0.47 0.00 3.15 4.39 -1.35 0.79 114.58 121.10 2dhm h GLU 91 Ca -0.06 -0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.36 2dhm h GLU 91 Cb 0.43 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2dhm h GLU 91 CO 0.09 0.31 -0.98 2.35 -1.16 0.00 0.00 179.01 179.62 2dhm h TRP 92 N 0.48 0.98 -0.30 4.33 -0.00 -0.99 0.81 115.95 121.26 2dhm h TRP 92 Ca 0.62 -0.54 0.09 0.00 -0.00 0.00 0.00 58.89 59.06 2dhm h TRP 92 Cb 1.38 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 30.42 2dhm h TRP 92 CO -0.00 1.37 0.81 0.93 -0.00 0.00 0.00 178.44 181.55 2dhm h GLU 93 N 0.31 0.00 0.00 2.65 4.39 0.19 -3.26 114.58 118.87 2dhm h GLU 93 Ca -0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2dhm h GLU 93 Cb 1.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 2dhm h GLU 93 CO 0.19 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.45 2dhm n GLY 94 N -1.48 -1.09 0.27 -3.84 0.00 -1.17 -5.03 105.19 92.85 2dhm n GLY 94 Ca 0.06 0.53 0.05 0.00 0.00 0.00 0.00 46.02 46.67 2dhm n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dhm h LEU 95 N 0.00 -0.20 -0.84 0.99 5.85 0.61 -0.97 115.31 120.74 2dhm h LEU 95 Ca 0.00 0.18 0.14 0.00 0.84 0.00 0.00 57.88 59.04 2dhm h LEU 95 Cb 0.00 0.28 -0.15 0.00 0.37 0.00 0.00 40.66 41.17 2dhm h LEU 95 CO 0.00 -0.13 -0.35 1.56 -0.34 0.00 0.00 178.44 179.19 2dhm h GLN 96 N 0.16 -0.05 -6.13 1.25 7.50 -1.91 -3.41 115.11 112.51 2dhm h GLN 96 Ca 0.41 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 59.02 2dhm h GLN 96 Cb 0.73 0.01 0.24 0.00 0.05 0.00 0.00 27.48 28.51 2dhm h GLN 96 CO -0.60 -0.04 -1.68 -3.47 -1.50 0.00 0.00 178.83 171.54 2dhm n ASP 97 N -5.47 -5.33 0.01 1.46 2.03 -0.37 -4.97 116.55 103.91 2dhm n ASP 97 Ca 0.09 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.59 2dhm n ASP 97 Cb 0.39 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 2dhm n ASP 97 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2dhm n THR 98 N -2.71 0.19 -1.50 5.18 5.66 -1.26 -5.05 114.28 114.78 2dhm n THR 98 Ca -0.01 0.06 -0.48 0.00 -3.05 0.00 0.00 64.05 60.57 2dhm n THR 98 Cb 0.56 -1.48 -0.03 0.00 -1.55 0.00 0.00 70.33 67.83 2dhm n THR 98 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2dhm n VAL 99 N -3.06 1.56 -4.02 1.08 3.14 -1.26 -4.94 118.33 110.82 2dhm n VAL 99 Ca 0.00 -0.39 -0.35 0.00 -2.96 0.00 0.00 64.34 60.64 2dhm n VAL 99 Cb 0.41 -0.46 -0.09 0.00 -1.06 0.00 0.00 33.84 32.64 2dhm n VAL 99 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2dhm s PHE 100 N -0.74 3.31 -0.29 1.45 0.08 -1.26 -5.08 117.98 115.45 2dhm s PHE 100 Ca 0.67 0.19 -0.00 0.00 0.12 0.00 0.00 56.93 57.91 2dhm s PHE 100 Cb -0.88 -2.01 0.09 0.00 -0.57 0.00 0.00 43.02 39.64 2dhm s PHE 100 CO 0.56 0.31 0.06 0.00 -0.10 0.00 0.00 175.22 176.06 2dhm s ALA 101 N -0.07 1.71 0.44 5.36 0.00 -1.26 -5.12 121.76 122.82 2dhm s ALA 101 Ca 0.07 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.19 2dhm s ALA 101 Cb -0.12 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.35 2dhm s ALA 101 CO 0.01 -1.52 1.29 -1.12 0.00 0.00 0.00 175.76 174.42 2dhm s SER 102 N 1.52 6.07 -0.07 0.00 0.01 -1.26 -4.94 113.70 115.03 2dhm s SER 102 Ca 0.06 2.62 -0.30 0.00 1.31 0.00 0.00 55.95 59.64 2dhm s SER 102 Cb -0.18 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.38 2dhm s SER 102 CO -0.18 -1.01 1.50 -2.16 0.41 0.00 0.00 173.24 171.81 2dhm s PRO 103 N -2.46 4.21 -0.41 12.44 0.04 -1.26 -4.95 135.00 142.62 2dhm s PRO 103 Ca 0.61 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.38 2dhm s PRO 103 Cb -0.37 -3.83 -0.01 0.00 0.04 0.00 0.00 34.50 30.32 2dhm s PRO 103 CO 0.46 -0.75 1.74 -1.25 0.04 0.00 0.00 177.00 177.24 2dhm s PRO 104 N 3.53 3.23 0.29 0.56 0.04 -1.26 -4.94 135.00 136.45 2dhm s PRO 104 Ca 0.67 1.16 -0.15 0.00 0.04 0.00 0.00 61.00 62.72 2dhm s PRO 104 Cb -0.30 -4.20 0.01 0.00 0.04 0.00 0.00 34.50 30.05 2dhm s PRO 104 CO 0.25 -1.99 0.61 0.00 0.04 0.00 0.00 177.00 175.92 2dhm n ARG 106 N -0.45 -0.07 0.00 0.00 0.63 -1.26 -5.29 116.66 110.23 2dhm n ARG 106 Ca -0.03 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2dhm n ARG 106 Cb 0.61 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 31.38 2dhm n ARG 106 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53