#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 -1.99 -4.55 1.61 3.41 -1.26 -4.80 113.62 106.04 2dhm n SER 2 Ca 0.00 -1.13 -0.44 0.00 -0.26 0.00 0.00 58.87 57.05 2dhm n SER 2 Cb 0.00 -2.24 -0.01 0.00 -0.26 0.00 0.00 64.21 61.70 2dhm n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dhm n SER 3 N -2.65 0.64 0.00 4.04 2.88 -1.26 -4.89 113.62 112.39 2dhm n SER 3 Ca 0.01 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2dhm n SER 3 Cb 0.52 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2dhm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhm n GLY 4 N 1.39 1.06 3.16 0.46 0.00 -1.26 -5.16 105.19 104.83 2dhm n GLY 4 Ca 0.11 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 2.00 1.88 0.36 1.61 0.01 -1.26 -5.14 113.70 113.15 2dhm s SER 5 Ca 0.00 -0.37 -0.13 0.00 1.31 0.00 0.00 55.95 56.75 2dhm s SER 5 Cb 0.00 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.09 2dhm s SER 5 CO 0.00 0.14 0.70 -0.94 0.41 0.00 0.00 173.24 173.55 2dhm s SER 6 N -0.74 0.16 0.00 2.44 1.04 -1.26 -5.15 113.70 110.19 2dhm s SER 6 Ca 0.05 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.34 2dhm s SER 6 Cb -0.07 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2dhm s SER 6 CO 0.00 -1.54 0.00 0.61 0.98 0.00 0.00 173.24 173.30 2dhm n GLY 7 N -0.52 -0.18 2.63 7.32 0.00 -1.26 -5.00 105.19 108.17 2dhm n GLY 7 Ca -0.06 0.61 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 2dhm n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dhm n MET 8 N 0.00 3.79 -3.69 1.61 0.00 -1.26 -4.82 117.12 112.76 2dhm n MET 8 Ca 0.00 -3.48 -0.35 0.00 0.00 0.00 0.00 57.70 53.88 2dhm n MET 8 Cb 0.00 -2.38 -0.08 0.00 0.00 0.00 0.00 33.22 30.77 2dhm n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dhm s MET 9 N -2.77 3.11 0.25 0.03 0.00 -1.26 -4.94 119.30 113.72 2dhm s MET 9 Ca 0.51 -3.26 -0.12 0.00 0.00 0.00 0.00 55.69 52.83 2dhm s MET 9 Cb 0.30 -3.86 0.36 0.00 0.00 0.00 0.00 34.83 31.63 2dhm s MET 9 CO -0.21 -1.26 1.57 0.82 0.00 0.00 0.00 175.02 175.93 2dhm h ILE 10 N 4.18 0.07 -0.41 3.16 1.08 -1.99 -1.37 117.51 122.23 2dhm h ILE 10 Ca 0.15 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 2dhm h ILE 10 Cb 0.81 0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 2dhm h ILE 10 CO 0.83 0.00 -0.24 -1.14 -0.69 0.00 0.00 178.15 176.90 2dhm n ARG 11 N -5.55 -0.18 -0.16 2.37 0.00 -1.26 0.08 116.66 111.96 2dhm n ARG 11 Ca 0.13 1.04 -0.02 0.00 -0.00 0.00 0.00 57.85 58.99 2dhm n ARG 11 Cb 0.44 -1.54 0.06 0.00 0.00 0.00 0.00 32.46 31.42 2dhm n ARG 11 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2dhm h GLU 12 N 0.00 0.16 -0.82 -0.14 5.08 -1.69 -1.00 114.58 116.16 2dhm h GLU 12 Ca 0.07 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 2dhm h GLU 12 Cb 0.17 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 2dhm h GLU 12 CO -0.39 0.11 0.42 0.00 -1.00 0.00 0.00 179.01 178.14 2dhm h ARG 13 N 0.16 0.60 0.00 2.33 3.08 -0.02 0.52 114.38 121.05 2dhm h ARG 13 Ca 0.25 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2dhm h ARG 13 Cb 0.36 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2dhm h ARG 13 CO -0.37 0.40 0.00 -0.89 -1.07 0.00 0.00 179.97 178.03 2dhm n ILE 14 N -4.87 0.00 0.09 2.04 5.41 0.85 -2.86 119.36 120.03 2dhm n ILE 14 Ca 0.16 1.49 -0.12 0.00 1.00 0.00 0.00 62.75 65.27 2dhm n ILE 14 Cb 0.40 -2.46 -0.05 0.00 -0.71 0.00 0.00 39.64 36.82 2dhm n ILE 14 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dhm h GLU 15 N 0.00 -0.45 -1.10 0.38 5.08 -1.34 -1.57 114.58 115.58 2dhm h GLU 15 Ca 0.00 0.03 0.37 0.00 -1.00 0.00 0.00 59.36 58.76 2dhm h GLU 15 Cb 0.00 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 2dhm h GLU 15 CO 0.00 -0.30 0.73 0.39 -1.00 0.00 0.00 179.01 178.83 2dhm n GLU 16 N -5.39 -0.02 -0.06 2.33 -0.58 0.18 0.76 120.64 117.86 2dhm n GLU 16 Ca -0.06 0.89 -0.07 0.00 -0.42 0.00 0.00 57.16 57.50 2dhm n GLU 16 Cb 0.30 -1.81 -0.06 0.00 -0.57 0.00 0.00 31.44 29.29 2dhm n GLU 16 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2dhm h LYS 17 N 0.00 0.00 -0.75 3.49 1.57 -1.14 -3.36 116.57 116.38 2dhm h LYS 17 Ca 0.65 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.58 2dhm h LYS 17 Cb 2.22 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.44 2dhm h LYS 17 CO -0.27 0.48 0.27 -0.07 -0.57 0.00 0.00 179.45 179.29 2dhm h LEU 18 N -1.00 0.22 -0.85 2.94 3.38 0.64 0.35 115.31 121.00 2dhm h LEU 18 Ca -0.01 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2dhm h LEU 18 Cb 0.50 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.25 2dhm h LEU 18 CO -0.01 0.07 -0.44 0.54 0.09 0.00 0.00 178.44 178.70 2dhm n ARG 19 N -5.04 -0.31 0.08 1.13 1.74 0.57 -0.06 116.66 114.78 2dhm n ARG 19 Ca 0.14 1.29 0.03 0.00 -0.77 0.00 0.00 57.85 58.54 2dhm n ARG 19 Cb 0.43 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 2dhm n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dhm h ALA 20 N 0.71 0.65 0.34 7.54 0.00 -1.57 -1.99 119.26 124.94 2dhm h ALA 20 Ca 0.20 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2dhm h ALA 20 Cb 0.41 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2dhm h ALA 20 CO -0.81 0.65 -0.44 0.00 0.00 0.00 0.00 179.25 178.65 2dhm h ALA 21 N 1.56 -1.05 0.00 0.00 0.00 0.33 -3.39 119.26 116.71 2dhm h ALA 21 Ca -0.09 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2dhm h ALA 21 Cb 1.41 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 2dhm h ALA 21 CO 0.04 -1.10 -1.42 1.19 0.00 0.00 0.00 179.25 177.96 2dhm n PHE 22 N -5.02 0.00 -2.48 0.00 3.72 -0.20 -5.04 117.46 108.43 2dhm n PHE 22 Ca -0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.24 2dhm n PHE 22 Cb 0.38 -0.29 0.04 0.00 -0.94 0.00 0.00 39.48 38.67 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 -2.66 -2.19 0.00 -1.08 6.02 -0.75 -5.05 117.38 111.66 2dhm n GLN 23 Ca -0.13 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 2dhm n GLN 23 Cb 0.65 -3.72 0.00 0.00 1.02 0.00 0.00 30.24 28.18 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 -2.28 -0.27 -0.12 -1.09 -0.04 -1.26 -5.03 135.00 124.90 2dhm n PRO 24 Ca -0.09 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.11 2dhm n PRO 24 Cb 0.56 0.00 -0.11 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 -1.77 1.54 -4.01 0.52 0.24 -0.99 -4.98 118.33 108.88 2dhm n VAL 25 Ca 0.00 -0.35 -0.29 0.00 -2.04 0.00 0.00 64.34 61.66 2dhm n VAL 25 Cb 0.00 -1.84 -0.05 0.00 -1.47 0.00 0.00 33.84 30.48 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 -2.48 3.30 -0.28 6.34 5.36 -1.23 -5.00 117.98 124.00 2dhm s PHE 26 Ca -0.35 0.10 -0.17 0.00 -0.96 0.00 0.00 56.93 55.54 2dhm s PHE 26 Cb 0.12 -1.63 0.08 0.00 -0.34 0.00 0.00 43.02 41.25 2dhm s PHE 26 CO 0.54 0.54 0.72 -1.17 -1.46 0.00 0.00 175.22 174.39 2dhm s LEU 27 N -2.73 -0.89 -0.27 6.12 2.96 -1.26 -3.06 118.68 119.55 2dhm s LEU 27 Ca 0.32 1.45 -0.26 0.00 -0.22 0.00 0.00 54.13 55.42 2dhm s LEU 27 Cb -0.12 2.34 0.13 0.00 0.50 0.00 0.00 46.19 49.05 2dhm s LEU 27 CO 0.25 -0.23 1.10 -0.70 -1.32 0.00 0.00 176.35 175.45 2dhm s GLU 28 N 1.47 0.44 -0.03 1.98 2.56 -0.54 -5.02 118.70 119.57 2dhm s GLU 28 Ca -0.09 0.45 0.03 0.00 0.00 0.00 0.00 54.97 55.37 2dhm s GLU 28 Cb -0.05 0.21 -0.00 0.00 2.00 0.00 0.00 34.13 36.29 2dhm s GLU 28 CO -0.17 -0.07 -0.12 0.08 -0.56 0.00 0.00 175.26 174.42 2dhm s VAL 29 N 0.02 1.03 -0.41 3.70 1.01 -1.26 -0.33 120.40 124.16 2dhm s VAL 29 Ca 0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 2dhm s VAL 29 Cb -0.04 -0.89 0.09 0.00 0.00 0.00 0.00 36.38 35.54 2dhm s VAL 29 CO -0.07 0.30 0.24 -0.69 0.00 0.00 0.00 175.10 174.88 2dhm s VAL 30 N -0.01 3.82 -0.21 2.92 1.01 0.01 -5.03 120.40 122.91 2dhm s VAL 30 Ca -0.01 -1.67 -0.17 0.00 0.00 0.00 0.00 61.98 60.13 2dhm s VAL 30 Cb -0.08 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2dhm s VAL 30 CO 0.01 -0.58 0.47 1.51 0.00 0.00 0.00 175.10 176.50 2dhm s ASP 31 N 2.06 6.48 -0.37 3.32 -4.77 -1.26 -3.20 116.67 118.93 2dhm s ASP 31 Ca 0.04 0.57 0.01 0.00 -3.30 0.00 0.00 52.55 49.87 2dhm s ASP 31 Cb -0.23 -2.26 0.12 0.00 -1.09 0.00 0.00 42.92 39.45 2dhm s ASP 31 CO -0.01 -0.16 0.15 -1.61 0.70 0.00 0.00 175.17 174.25 2dhm s GLU 32 N 1.65 1.04 -0.28 2.11 0.41 -1.21 -5.10 118.70 117.33 2dhm s GLU 32 Ca 0.21 -1.57 -0.11 0.00 -0.41 0.00 0.00 54.97 53.10 2dhm s GLU 32 Cb -0.15 -2.27 -0.05 0.00 -1.78 0.00 0.00 34.13 29.88 2dhm s GLU 32 CO 0.09 -1.06 0.18 0.45 -0.49 0.00 0.00 175.26 174.43 2dhm s SER 33 N 0.98 5.98 -0.79 -0.19 0.15 -1.26 -4.06 113.70 114.51 2dhm s SER 33 Ca 0.13 -0.02 -0.06 0.00 0.70 0.00 0.00 55.95 56.71 2dhm s SER 33 Cb -0.21 -2.11 0.20 0.00 -1.71 0.00 0.00 66.02 62.19 2dhm s SER 33 CO -0.12 -0.05 0.67 -0.31 1.20 0.00 0.00 173.24 174.63 2dhm s TYR 34 N 1.73 3.68 -0.01 3.44 1.51 -1.26 -4.91 117.35 121.54 2dhm s TYR 34 Ca 0.07 -2.59 -0.25 0.00 -1.01 0.00 0.00 57.07 53.29 2dhm s TYR 34 Cb -0.16 -3.44 -0.19 0.00 -0.11 0.00 0.00 41.96 38.07 2dhm s TYR 34 CO 0.10 -0.87 1.28 0.00 -1.11 0.00 0.00 175.55 174.95 2dhm h ARG 35 N 6.97 -0.11 -4.47 -0.62 3.08 -1.96 -3.45 114.38 113.83 2dhm h ARG 35 Ca 0.08 0.01 -0.62 0.00 0.07 0.00 0.00 59.98 59.51 2dhm h ARG 35 Cb 0.94 0.02 0.02 0.00 0.08 0.00 0.00 29.97 31.04 2dhm h ARG 35 CO 0.78 0.29 0.25 0.72 -1.07 0.00 0.00 179.97 180.94 2dhm n HIS 36 N -4.95 0.85 -2.12 3.04 8.25 -1.26 -4.73 115.22 114.30 2dhm n HIS 36 Ca -0.08 0.82 -0.39 0.00 -0.26 0.00 0.00 57.72 57.80 2dhm n HIS 36 Cb 0.23 -1.60 -0.03 0.00 1.12 0.00 0.00 29.99 29.71 2dhm n HIS 36 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2dhm s ASN 37 N 1.00 5.50 0.12 0.41 3.84 -1.26 -4.97 114.94 119.57 2dhm s ASN 37 Ca 0.72 0.35 0.08 0.00 0.21 0.00 0.00 52.86 54.23 2dhm s ASN 37 Cb -1.02 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 37.10 2dhm s ASN 37 CO 0.51 -2.20 -0.15 0.68 -2.79 0.00 0.00 177.10 173.15 2dhm s VAL 38 N 8.25 3.00 -0.58 -5.21 -7.23 -1.26 -5.07 120.40 112.30 2dhm s VAL 38 Ca 0.64 -1.46 -0.27 0.00 -1.81 0.00 0.00 61.98 59.08 2dhm s VAL 38 Cb -0.13 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2dhm s VAL 38 CO 0.22 0.08 1.85 -2.16 -0.31 0.00 0.00 175.10 174.78 2dhm s PRO 39 N -2.22 2.70 -1.74 4.82 0.04 -1.26 -3.75 135.00 133.59 2dhm s PRO 39 Ca 0.19 0.68 -0.16 0.00 0.04 0.00 0.00 61.00 61.76 2dhm s PRO 39 Cb -0.11 -4.36 0.15 0.00 0.04 0.00 0.00 34.50 30.22 2dhm s PRO 39 CO 0.11 -2.64 0.50 0.00 0.04 0.00 0.00 177.00 175.02 2dhm n ALA 40 N 12.47 -1.45 -1.01 8.56 0.00 -1.26 -4.89 120.51 132.93 2dhm n ALA 40 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2dhm n ALA 40 Cb 0.52 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 -1.53 1.89 3.08 0.00 0.00 -1.25 -4.88 105.19 102.50 2dhm n GLY 41 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2dhm n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhm s SER 42 N -1.00 5.07 0.07 1.61 0.01 -1.26 -4.98 113.70 113.22 2dhm s SER 42 Ca 0.00 -2.24 -0.31 0.00 1.31 0.00 0.00 55.95 54.70 2dhm s SER 42 Cb 0.00 -1.77 -0.18 0.00 0.21 0.00 0.00 66.02 64.28 2dhm s SER 42 CO 0.00 -0.46 1.64 -0.33 0.41 0.00 0.00 173.24 174.51 2dhm h GLU 43 N 7.69 -0.74 -1.37 12.44 5.08 -1.96 -3.45 114.58 132.28 2dhm h GLU 43 Ca -0.09 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 2dhm h GLU 43 Cb 1.02 0.17 -0.22 0.00 0.50 0.00 0.00 28.75 30.21 2dhm h GLU 43 CO 0.66 -0.49 0.06 -1.12 -1.00 0.00 0.00 179.01 177.11 2dhm s SER 44 N -4.52 -0.83 -0.28 1.42 0.01 -1.26 -4.92 113.70 103.32 2dhm s SER 44 Ca -0.17 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.18 2dhm s SER 44 Cb 0.04 1.93 0.05 0.00 0.21 0.00 0.00 66.02 68.25 2dhm s SER 44 CO 0.63 -0.16 -0.06 -2.28 0.41 0.00 0.00 173.24 171.78 2dhm s HIS 45 N 2.66 3.24 0.00 2.43 2.46 -1.26 -4.93 115.29 119.90 2dhm s HIS 45 Ca -0.03 -2.03 0.03 0.00 0.47 0.00 0.00 55.06 53.50 2dhm s HIS 45 Cb -0.09 -2.02 -0.01 0.00 -0.13 0.00 0.00 32.58 30.33 2dhm s HIS 45 CO -0.18 -0.83 -0.10 0.12 -2.47 0.00 0.00 174.74 171.28 2dhm s PHE 46 N 1.20 0.89 -0.13 3.88 2.19 -1.26 -3.33 117.98 121.41 2dhm s PHE 46 Ca -0.06 -0.22 -0.07 0.00 0.33 0.00 0.00 56.93 56.91 2dhm s PHE 46 Cb -0.19 -0.56 0.05 0.00 -1.31 0.00 0.00 43.02 41.01 2dhm s PHE 46 CO -0.03 -0.01 0.32 0.21 1.83 0.00 0.00 175.22 177.53 2dhm s LYS 47 N -0.48 0.29 -0.04 10.12 2.20 -1.19 -2.63 119.74 128.01 2dhm s LYS 47 Ca 0.02 0.63 0.06 0.00 -0.36 0.00 0.00 55.97 56.32 2dhm s LYS 47 Cb -0.05 -0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 2dhm s LYS 47 CO -0.00 -0.16 -0.21 0.08 -0.36 0.00 0.00 175.35 174.70 2dhm s VAL 48 N 1.27 1.74 -0.17 4.02 1.01 -1.22 -0.81 120.40 126.24 2dhm s VAL 48 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2dhm s VAL 48 Cb -0.09 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.83 2dhm s VAL 48 CO -0.10 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.61 2dhm s VAL 49 N -0.16 2.21 -0.20 2.92 1.01 0.56 -2.36 120.40 124.38 2dhm s VAL 49 Ca -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2dhm s VAL 49 Cb -0.12 -1.92 0.09 0.00 0.00 0.00 0.00 36.38 34.42 2dhm s VAL 49 CO 0.02 0.53 0.18 -0.22 0.00 0.00 0.00 175.10 175.61 2dhm s LEU 50 N 1.16 0.05 -0.35 3.92 0.20 -1.26 -1.46 118.68 120.95 2dhm s LEU 50 Ca 0.02 -0.42 -0.22 0.00 0.69 0.00 0.00 54.13 54.20 2dhm s LEU 50 Cb -0.14 0.17 0.00 0.00 -0.43 0.00 0.00 46.19 45.79 2dhm s LEU 50 CO -0.09 -0.34 0.70 -0.69 -0.29 0.00 0.00 176.35 175.64 2dhm s VAL 51 N 2.26 4.83 0.13 1.68 1.01 -1.17 -4.09 120.40 125.05 2dhm s VAL 51 Ca 0.06 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2dhm s VAL 51 Cb -0.16 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2dhm s VAL 51 CO -0.13 -0.32 0.02 -0.55 0.00 0.00 0.00 175.10 174.11 2dhm s SER 52 N 1.77 0.67 0.23 3.32 0.15 -1.23 -2.35 113.70 116.26 2dhm s SER 52 Ca 0.28 -1.15 0.17 0.00 0.70 0.00 0.00 55.95 55.94 2dhm s SER 52 Cb -0.14 0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 2dhm s SER 52 CO 0.15 -0.64 1.26 -2.24 1.20 0.00 0.00 173.24 172.96 2dhm h ASP 53 N 2.86 0.00 -0.40 5.45 3.04 -1.96 -3.30 116.42 122.12 2dhm h ASP 53 Ca -0.35 0.00 0.12 0.00 -3.24 0.00 0.00 57.03 53.55 2dhm h ASP 53 Cb 1.19 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.46 2dhm h ASP 53 CO 0.62 0.44 0.57 0.03 -2.04 0.00 0.00 179.24 178.86 2dhm h ARG 54 N 0.00 0.00 -1.59 4.15 2.47 -1.98 0.05 114.38 117.48 2dhm h ARG 54 Ca -0.05 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.44 2dhm h ARG 54 Cb 1.38 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.59 2dhm h ARG 54 CO 0.05 0.00 0.30 1.19 0.56 0.00 0.00 179.97 182.07 2dhm n PHE 55 N -3.40 1.14 -0.62 3.04 3.72 -1.24 -4.60 117.46 115.49 2dhm n PHE 55 Ca 0.07 -1.66 0.49 0.00 -0.05 0.00 0.00 57.45 56.31 2dhm n PHE 55 Cb 0.73 -0.81 0.81 0.00 -0.94 0.00 0.00 39.48 39.26 2dhm n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dhm h THR 56 N 0.94 0.09 0.00 4.37 1.03 -1.27 -3.44 112.91 114.63 2dhm h THR 56 Ca 0.22 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.62 2dhm h THR 56 Cb 1.00 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.16 2dhm h THR 56 CO 0.55 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.67 2dhm n GLY 57 N -1.88 2.03 0.32 2.99 0.00 -1.26 -4.98 105.19 102.41 2dhm n GLY 57 Ca 0.41 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.48 2dhm n GLY 57 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dhm n GLU 58 N -0.27 -0.09 -3.90 1.61 0.28 -1.26 -4.21 120.64 112.81 2dhm n GLU 58 Ca 0.00 1.40 -0.19 0.00 -0.16 0.00 0.00 57.16 58.21 2dhm n GLU 58 Cb 0.00 -2.08 -0.17 0.00 1.43 0.00 0.00 31.44 30.62 2dhm n GLU 58 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2dhm s ARG 59 N -6.12 0.40 0.15 3.44 0.52 -1.26 -5.03 118.95 111.05 2dhm s ARG 59 Ca -0.13 0.09 -0.12 0.00 -0.52 0.00 0.00 55.73 55.05 2dhm s ARG 59 Cb 0.24 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 35.07 2dhm s ARG 59 CO 0.70 -0.19 1.56 0.74 0.02 0.00 0.00 175.30 178.13 2dhm h PHE 60 N 7.61 1.03 -0.34 -0.53 0.04 -2.00 -3.14 116.94 119.62 2dhm h PHE 60 Ca -0.33 -0.22 -0.00 0.00 2.80 0.00 0.00 57.97 60.21 2dhm h PHE 60 Cb 1.13 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 2dhm h PHE 60 CO 0.50 1.00 0.19 -0.07 -0.60 0.00 0.00 178.31 179.33 2dhm h LEU 61 N 0.76 0.42 -1.00 1.54 3.38 -1.96 -2.68 115.31 115.77 2dhm h LEU 61 Ca 0.12 -0.08 0.40 0.00 0.09 0.00 0.00 57.88 58.41 2dhm h LEU 61 Cb 0.67 -0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.14 2dhm h LEU 61 CO 0.05 0.37 0.47 0.78 0.09 0.00 0.00 178.44 180.19 2dhm h ASN 62 N 0.43 0.21 0.44 -0.43 2.35 -1.97 0.17 115.58 116.77 2dhm h ASN 62 Ca 0.12 0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 2dhm h ASN 62 Cb 0.04 0.30 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2dhm h ASN 62 CO -0.02 -0.42 -0.51 0.03 -1.65 0.00 0.00 177.43 174.86 2dhm h ARG 63 N 0.01 -0.93 0.34 0.81 3.08 -1.57 -2.54 114.38 113.58 2dhm h ARG 63 Ca 0.81 0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.92 2dhm h ARG 63 Cb 2.09 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 32.33 2dhm h ARG 63 CO -0.79 -0.62 -0.31 0.45 -1.07 0.00 0.00 179.97 177.63 2dhm h HIS 64 N -0.96 -0.84 -0.13 3.04 3.86 -0.83 -2.97 115.15 116.31 2dhm h HIS 64 Ca -0.05 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2dhm h HIS 64 Cb 0.85 0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 2dhm h HIS 64 CO -0.28 -0.45 -0.08 0.54 0.86 0.00 0.00 177.93 178.51 2dhm n ARG 65 N -5.43 -0.06 -0.30 2.45 1.74 -0.55 -0.03 116.66 114.48 2dhm n ARG 65 Ca -0.10 0.85 -0.01 0.00 -0.77 0.00 0.00 57.85 57.82 2dhm n ARG 65 Cb 0.33 -1.26 0.05 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.05 0.00 5.56 2.86 -1.43 0.20 114.93 122.07 2dhm h MET 66 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2dhm h MET 66 Cb 0.05 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2dhm h MET 66 CO -0.12 -0.04 0.00 -0.89 1.06 0.00 0.00 176.91 176.92 2dhm n ILE 67 N -5.48 0.00 -0.26 -1.22 2.08 0.95 -2.13 119.36 113.31 2dhm n ILE 67 Ca 0.09 1.29 -0.09 0.00 0.56 0.00 0.00 62.75 64.60 2dhm n ILE 67 Cb 0.39 -2.16 -0.07 0.00 -0.75 0.00 0.00 39.64 37.05 2dhm n ILE 67 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 2dhm h TYR 68 N 0.00 -1.38 -0.80 1.39 0.05 -0.59 0.22 116.97 115.86 2dhm h TYR 68 Ca 0.00 0.09 0.22 0.00 0.05 0.00 0.00 58.73 59.09 2dhm h TYR 68 Cb 0.00 0.69 -0.15 0.00 1.01 0.00 0.00 36.73 38.28 2dhm h TYR 68 CO -0.04 -0.30 0.03 0.45 -1.05 0.00 0.00 178.16 177.26 2dhm n SER 69 N -4.69 -0.08 0.35 3.88 2.88 0.67 0.18 113.62 116.81 2dhm n SER 69 Ca 0.00 1.35 -0.17 0.00 -1.33 0.00 0.00 58.87 58.73 2dhm n SER 69 Cb 0.21 -0.50 -0.09 0.00 -0.75 0.00 0.00 64.21 63.08 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 0.33 -0.74 2.46 2.02 -0.04 -2.95 112.91 113.99 2dhm h THR 70 Ca 0.49 -0.12 -0.41 0.00 0.77 0.00 0.00 66.41 67.15 2dhm h THR 70 Cb 1.03 0.37 -0.23 0.00 -1.74 0.00 0.00 68.15 67.58 2dhm h THR 70 CO -0.74 0.02 0.52 0.18 0.37 0.00 0.00 175.52 175.86 2dhm n LEU 71 N -5.43 6.01 -0.23 2.58 4.77 0.14 -4.66 117.00 120.18 2dhm n LEU 71 Ca -0.13 -3.19 -0.11 0.00 -0.03 0.00 0.00 56.01 52.55 2dhm n LEU 71 Cb 0.36 -0.80 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 2dhm n LEU 71 CO 0.36 0.98 0.53 0.00 -1.33 0.00 0.00 177.39 177.93 2dhm h ALA 72 N 1.35 -0.53 0.00 -1.18 0.00 0.20 0.42 119.26 119.51 2dhm h ALA 72 Ca 0.47 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.40 2dhm h ALA 72 Cb 2.12 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 21.01 2dhm h ALA 72 CO 0.88 -0.93 -0.38 1.49 0.00 0.00 0.00 179.25 180.31 2dhm h GLU 73 N -0.24 0.00 -0.90 0.00 4.81 -1.85 -3.15 114.58 113.24 2dhm h GLU 73 Ca 0.14 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.59 2dhm h GLU 73 Cb 0.55 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.76 2dhm h GLU 73 CO -0.72 0.55 -0.06 0.93 -0.73 0.00 0.00 179.01 178.98 2dhm h GLU 74 N -1.00 0.03 0.00 1.92 4.39 -1.86 1.40 114.58 119.47 2dhm h GLU 74 Ca -0.08 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2dhm h GLU 74 Cb 0.71 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2dhm h GLU 74 CO -0.05 0.02 -0.37 1.37 -1.16 0.00 0.00 179.01 178.83 2dhm h LEU 75 N 0.03 0.00 -1.42 1.33 8.10 -0.32 -2.41 115.31 120.62 2dhm h LEU 75 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.49 2dhm h LEU 75 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.14 2dhm h LEU 75 CO -0.86 0.37 0.00 -0.24 -4.11 0.00 0.00 178.44 173.60 2dhm n SER 76 N -3.83 1.94 -0.06 0.17 2.88 0.47 -3.29 113.62 111.91 2dhm n SER 76 Ca -0.01 -2.18 -0.03 0.00 -1.33 0.00 0.00 58.87 55.31 2dhm n SER 76 Cb 0.44 -0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.11 0.00 0.00 2.46 2.02 -0.83 -3.47 112.91 114.21 2dhm h THR 77 Ca 0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.36 2dhm h THR 77 Cb 0.72 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2dhm h THR 77 CO 0.10 0.00 -0.48 1.07 0.37 0.00 0.00 175.52 176.58 2dhm n THR 78 N -4.21 0.00 -2.19 3.16 5.66 -1.26 -5.04 114.28 110.40 2dhm n THR 78 Ca -0.05 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.53 2dhm n THR 78 Cb 0.18 -0.34 -0.03 0.00 -1.55 0.00 0.00 70.33 68.59 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 -1.48 3.73 0.00 1.08 1.01 -1.21 -4.94 120.40 118.60 2dhm s VAL 79 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2dhm s VAL 79 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2dhm s VAL 79 CO 0.00 -0.03 0.00 1.57 0.00 0.00 0.00 175.10 176.64 2dhm n HIS 80 N 5.94 0.00 -4.08 5.22 -0.00 -1.26 -4.39 115.22 116.65 2dhm n HIS 80 Ca 0.14 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 58.01 2dhm n HIS 80 Cb 0.43 -0.09 -0.07 0.00 -0.12 0.00 0.00 29.99 30.14 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 -3.20 3.57 -0.13 1.57 0.00 -1.26 -5.05 121.76 117.26 2dhm s ALA 81 Ca 0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 2dhm s ALA 81 Cb 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 23.12 21.67 2dhm s ALA 81 CO 0.00 0.73 0.39 -1.17 0.00 0.00 0.00 175.76 175.71 2dhm s LEU 82 N -2.13 0.52 -0.71 0.00 2.96 -1.26 -4.50 118.68 113.56 2dhm s LEU 82 Ca 0.27 0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 54.74 2dhm s LEU 82 Cb -0.12 1.37 0.18 0.00 0.50 0.00 0.00 46.19 48.12 2dhm s LEU 82 CO 0.19 -0.20 0.63 0.00 -1.32 0.00 0.00 176.35 175.65 2dhm s ALA 83 N -0.06 3.86 -0.21 5.97 0.00 -1.08 -5.03 121.76 125.21 2dhm s ALA 83 Ca -0.02 -3.08 -0.29 0.00 0.00 0.00 0.00 51.96 48.56 2dhm s ALA 83 Cb -0.03 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2dhm s ALA 83 CO 0.01 -2.17 1.50 -0.51 0.00 0.00 0.00 175.76 174.60 2dhm s LEU 84 N 0.54 3.97 -0.81 0.00 1.43 -1.26 -3.43 118.68 119.12 2dhm s LEU 84 Ca 0.14 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 2dhm s LEU 84 Cb -0.17 -3.53 0.21 0.00 0.03 0.00 0.00 46.19 42.73 2dhm s LEU 84 CO -0.05 -1.12 0.72 1.41 0.23 0.00 0.00 176.35 177.54 2dhm n HIS 85 N 7.88 3.71 -3.29 0.29 8.25 -1.00 -5.03 115.22 126.04 2dhm n HIS 85 Ca 0.17 -4.12 -0.38 0.00 -0.26 0.00 0.00 57.72 53.13 2dhm n HIS 85 Cb 0.45 -0.88 -0.06 0.00 1.12 0.00 0.00 29.99 30.62 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 -1.66 5.14 0.06 1.59 -4.23 -1.26 -3.98 115.64 111.30 2dhm s THR 86 Ca 0.29 1.02 0.07 0.00 -1.18 0.00 0.00 61.69 61.89 2dhm s THR 86 Cb -0.02 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 2dhm s THR 86 CO -0.11 0.35 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.81 2dhm s TYR 87 N 0.44 1.66 0.16 3.99 1.51 -1.26 -5.05 117.35 118.80 2dhm s TYR 87 Ca 0.27 -0.39 -0.25 0.00 -1.01 0.00 0.00 57.07 55.70 2dhm s TYR 87 Cb -0.16 -0.96 -0.08 0.00 -0.11 0.00 0.00 41.96 40.65 2dhm s TYR 87 CO 0.12 0.12 0.75 0.95 -1.11 0.00 0.00 175.55 176.38 2dhm s THR 88 N -0.96 4.41 0.08 -0.71 -4.23 -1.26 -3.56 115.64 109.41 2dhm s THR 88 Ca 0.05 1.65 -0.16 0.00 -1.18 0.00 0.00 61.69 62.05 2dhm s THR 88 Cb -0.09 -4.11 -0.04 0.00 1.34 0.00 0.00 72.50 69.60 2dhm s THR 88 CO 0.02 0.52 0.98 -0.38 -0.54 0.00 0.00 174.62 175.23 2dhm n ILE 89 N 1.58 -0.35 -0.25 2.99 -0.00 -1.26 -0.49 119.36 121.58 2dhm n ILE 89 Ca -0.06 1.53 -0.09 0.00 -0.00 0.00 0.00 62.75 64.14 2dhm n ILE 89 Cb 0.49 -1.92 -0.07 0.00 -0.00 0.00 0.00 39.64 38.13 2dhm n ILE 89 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2dhm h LYS 90 N 0.00 -0.08 -0.83 0.38 6.56 -1.98 0.23 116.57 120.85 2dhm h LYS 90 Ca 0.08 0.01 0.15 0.00 -1.06 0.00 0.00 60.65 59.83 2dhm h LYS 90 Cb 0.21 0.02 -0.15 0.00 -0.57 0.00 0.00 32.23 31.73 2dhm h LYS 90 CO -0.48 -0.05 -0.28 0.93 -2.06 0.00 0.00 179.45 177.51 2dhm h GLU 91 N -0.08 -0.03 -0.22 3.15 4.39 -1.17 0.15 114.58 120.77 2dhm h GLU 91 Ca 0.10 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2dhm h GLU 91 Cb 0.34 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2dhm h GLU 91 CO -0.62 -0.02 0.13 2.35 -1.16 0.00 0.00 179.01 179.69 2dhm h TRP 92 N -0.03 0.25 -1.02 4.33 -0.00 -0.13 0.71 115.95 120.06 2dhm h TRP 92 Ca 0.36 0.01 0.41 0.00 -0.00 0.00 0.00 58.89 59.67 2dhm h TRP 92 Cb 0.60 -0.08 -0.16 0.00 -0.00 0.00 0.00 29.16 29.52 2dhm h TRP 92 CO -0.71 0.15 0.58 0.39 -0.00 0.00 0.00 178.44 178.85 2dhm n GLU 93 N -4.95 -0.05 -2.68 2.65 1.02 0.59 -2.12 120.64 115.09 2dhm n GLU 93 Ca -0.03 1.27 -0.08 0.00 -0.02 0.00 0.00 57.16 58.31 2dhm n GLU 93 Cb 0.04 -2.33 0.06 0.00 -0.02 0.00 0.00 31.44 29.18 2dhm n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dhm n GLY 94 N -1.30 1.48 0.07 0.62 0.00 -0.93 -4.94 105.19 100.19 2dhm n GLY 94 Ca 0.36 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 2.64 -0.01 -0.11 0.99 7.12 0.96 -3.35 115.31 123.56 2dhm h LEU 95 Ca -0.16 -0.79 -0.02 0.00 0.13 0.00 0.00 57.88 57.03 2dhm h LEU 95 Cb 1.22 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.35 2dhm h LEU 95 CO 0.30 0.80 -0.03 -0.61 -0.13 0.00 0.00 178.44 178.77 2dhm h GLN 96 N -0.83 0.21 -6.40 1.25 4.15 -1.84 -3.43 115.11 108.23 2dhm h GLN 96 Ca -0.00 -0.08 -0.53 0.00 0.77 0.00 0.00 58.65 58.80 2dhm h GLN 96 Cb 0.80 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 28.50 2dhm h GLN 96 CO 0.00 0.52 1.14 0.34 -1.93 0.00 0.00 178.83 178.91 2dhm s ASP 97 N -5.80 6.50 0.09 -0.69 2.15 -1.26 -4.90 116.67 112.76 2dhm s ASP 97 Ca -0.15 2.60 -0.22 0.00 0.43 0.00 0.00 52.55 55.22 2dhm s ASP 97 Cb 0.05 -2.55 -0.12 0.00 -0.30 0.00 0.00 42.92 40.00 2dhm s ASP 97 CO 0.71 -0.99 1.68 0.71 -0.17 0.00 0.00 175.17 177.10 2dhm h THR 98 N 5.23 1.09 -2.66 1.71 1.35 -1.85 -3.38 112.91 114.41 2dhm h THR 98 Ca -0.46 -0.26 -0.62 0.00 -0.55 0.00 0.00 66.41 64.52 2dhm h THR 98 Cb 1.22 1.08 -0.14 0.00 -1.73 0.00 0.00 68.15 68.58 2dhm h THR 98 CO 0.94 0.08 0.58 -0.69 -0.25 0.00 0.00 175.52 176.18 2dhm s VAL 99 N -5.84 4.28 -0.39 6.82 1.01 -1.26 -5.00 120.40 120.02 2dhm s VAL 99 Ca -0.13 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 2dhm s VAL 99 Cb 0.06 -4.69 0.01 0.00 0.00 0.00 0.00 36.38 31.76 2dhm s VAL 99 CO 0.68 -1.47 0.77 0.12 0.00 0.00 0.00 175.10 175.20 2dhm s PHE 100 N 4.18 3.07 0.04 5.22 2.19 -1.26 -5.04 117.98 126.39 2dhm s PHE 100 Ca 0.23 0.41 0.06 0.00 0.33 0.00 0.00 56.93 57.96 2dhm s PHE 100 Cb -0.16 -3.47 -0.02 0.00 -1.31 0.00 0.00 43.02 38.05 2dhm s PHE 100 CO 0.11 -0.81 -0.17 0.00 1.83 0.00 0.00 175.22 176.18 2dhm s ALA 101 N 3.14 1.41 -0.05 11.12 0.00 -1.26 -5.15 121.76 130.97 2dhm s ALA 101 Ca 0.30 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 2dhm s ALA 101 Cb -0.13 -0.25 0.09 0.00 0.00 0.00 0.00 23.12 22.84 2dhm s ALA 101 CO 0.19 0.29 0.81 -1.12 0.00 0.00 0.00 175.76 175.92 2dhm s SER 102 N -1.16 -0.51 -0.18 0.00 0.01 -1.26 -5.08 113.70 105.52 2dhm s SER 102 Ca 0.04 0.42 -0.29 0.00 1.31 0.00 0.00 55.95 57.43 2dhm s SER 102 Cb -0.08 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 2dhm s SER 102 CO 0.01 -0.57 1.58 -2.16 0.41 0.00 0.00 173.24 172.52 2dhm s PRO 103 N -1.75 3.93 -0.26 12.44 0.04 -1.26 -4.96 135.00 143.18 2dhm s PRO 103 Ca -0.04 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2dhm s PRO 103 Cb -0.00 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 2dhm s PRO 103 CO 0.02 -1.13 1.64 -1.25 0.04 0.00 0.00 177.00 176.32 2dhm s PRO 104 N 4.39 3.67 -0.13 0.56 0.04 -1.26 -4.99 135.00 137.28 2dhm s PRO 104 Ca 0.70 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2dhm s PRO 104 Cb -0.26 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.23 2dhm s PRO 104 CO 0.27 -1.45 -0.12 0.00 0.04 0.00 0.00 177.00 175.75 2dhm h ARG 106 N 8.04 0.12 0.00 0.00 9.65 -2.06 -3.57 114.38 126.56 2dhm h ARG 106 Ca -0.35 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 2dhm h ARG 106 Cb 1.14 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 2dhm h ARG 106 CO 0.49 1.10 0.00 0.41 2.80 0.00 0.00 179.97 184.77