#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmi n SER 2 N 0.00 -0.47 -0.07 1.61 2.88 -1.26 -4.96 113.62 111.36 2dmi n SER 2 Ca 0.00 0.74 -0.10 0.00 -1.33 0.00 0.00 58.87 58.18 2dmi n SER 2 Cb 0.00 -1.25 -0.06 0.00 -0.75 0.00 0.00 64.21 62.15 2dmi n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dmi h SER 3 N 0.22 0.00 -5.05 -3.46 0.02 -2.16 -3.50 113.55 99.61 2dmi h SER 3 Ca -0.47 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.13 2dmi h SER 3 Cb 1.38 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.81 2dmi h SER 3 CO 0.48 0.91 -1.39 0.61 -1.14 0.00 0.00 176.83 176.29 2dmi n GLY 4 N 1.62 -4.89 2.92 -3.77 0.00 -1.26 -5.05 105.19 94.76 2dmi n GLY 4 Ca -0.11 1.46 -0.13 0.00 0.00 0.00 0.00 46.02 47.23 2dmi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmi s SER 5 N -0.59 -0.09 -0.14 1.61 1.04 -1.26 -5.15 113.70 109.11 2dmi s SER 5 Ca -0.23 0.26 -0.33 0.00 0.48 0.00 0.00 55.95 56.13 2dmi s SER 5 Cb 0.02 0.17 0.13 0.00 0.10 0.00 0.00 66.02 66.44 2dmi s SER 5 CO 0.62 -0.12 1.12 -0.94 0.98 0.00 0.00 173.24 174.89 2dmi s SER 6 N 0.93 -0.20 -0.31 7.02 1.04 -1.26 -5.15 113.70 115.77 2dmi s SER 6 Ca -0.07 0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.29 2dmi s SER 6 Cb -0.09 0.21 0.19 0.00 0.10 0.00 0.00 66.02 66.43 2dmi s SER 6 CO -0.04 -0.35 0.95 -0.83 0.98 0.00 0.00 173.24 173.95 2dmi s GLY 7 N -2.26 -1.11 0.30 7.32 0.00 -1.26 -5.17 107.32 105.13 2dmi s GLY 7 Ca 0.08 1.69 0.02 0.00 0.00 0.00 0.00 44.72 46.52 2dmi s GLY 7 CO -0.06 4.05 0.12 0.54 0.00 0.00 0.00 173.10 177.75 2dmi s LYS 8 N 2.71 1.56 0.17 2.90 -0.14 -1.26 -5.18 119.74 120.50 2dmi s LYS 8 Ca 0.22 -1.88 -0.00 0.00 -1.36 0.00 0.00 55.97 52.95 2dmi s LYS 8 Cb -0.02 -0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 35.78 2dmi s LYS 8 CO -0.21 -0.36 0.06 -0.48 -0.76 0.00 0.00 175.35 173.60 2dmi s LEU 9 N -3.39 1.70 0.00 3.17 -0.00 -1.26 -5.17 118.68 113.75 2dmi s LEU 9 Ca 0.35 -1.26 0.07 0.00 -0.00 0.00 0.00 54.13 53.29 2dmi s LEU 9 Cb 0.06 0.21 -0.03 0.00 -0.00 0.00 0.00 46.19 46.44 2dmi s LEU 9 CO 0.15 -0.72 -0.20 -0.31 -0.00 0.00 0.00 176.35 175.28 2dmi s TYR 10 N -3.96 2.51 -0.30 3.48 2.02 -1.26 -5.10 117.35 114.75 2dmi s TYR 10 Ca 0.29 -0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 56.60 2dmi s TYR 10 Cb 0.07 -1.51 0.18 0.00 -0.40 0.00 0.00 41.96 40.31 2dmi s TYR 10 CO 0.06 0.15 0.96 0.20 -1.57 0.00 0.00 175.55 175.35 2dmi s GLY 11 N -1.04 -0.60 -0.30 0.71 0.00 -1.26 -5.14 107.32 99.69 2dmi s GLY 11 Ca 0.12 2.41 -0.12 0.00 0.00 0.00 0.00 44.72 47.14 2dmi s GLY 11 CO 0.02 3.81 1.00 -1.35 0.00 0.00 0.00 173.10 176.57 2dmi s SER 12 N 2.93 -0.57 -0.00 1.64 1.04 -1.26 -5.17 113.70 112.32 2dmi s SER 12 Ca 0.08 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 56.83 2dmi s SER 12 Cb -0.09 1.48 -0.04 0.00 0.10 0.00 0.00 66.02 67.47 2dmi s SER 12 CO -0.16 -0.11 0.20 0.27 0.98 0.00 0.00 173.24 174.43 2dmi s ILE 13 N 2.94 5.41 -0.59 -1.02 -4.36 -1.26 -5.05 121.20 117.28 2dmi s ILE 13 Ca 0.02 -0.09 -0.28 0.00 -0.26 0.00 0.00 60.65 60.04 2dmi s ILE 13 Cb -0.11 -3.55 0.02 0.00 1.25 0.00 0.00 42.46 40.08 2dmi s ILE 13 CO -0.12 0.33 1.27 0.12 0.24 0.00 0.00 174.94 176.78 2dmi s PHE 14 N -1.32 2.48 -0.12 1.37 2.19 -1.26 -4.97 117.98 116.35 2dmi s PHE 14 Ca 0.27 0.40 -0.04 0.00 0.33 0.00 0.00 56.93 57.89 2dmi s PHE 14 Cb -0.13 -4.49 0.06 0.00 -1.31 0.00 0.00 43.02 37.15 2dmi s PHE 14 CO 0.18 -1.75 0.17 0.99 1.83 0.00 0.00 175.22 176.64 2dmi s THR 15 N 5.36 -0.26 0.00 0.12 2.01 -1.26 -5.03 115.64 116.58 2dmi s THR 15 Ca 0.45 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.64 2dmi s THR 15 Cb -0.09 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.01 2dmi s THR 15 CO 0.24 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 2dmi n GLY 16 N 5.32 -1.78 3.92 4.40 0.00 -1.26 -5.17 105.19 110.62 2dmi n GLY 16 Ca -0.05 0.70 -0.26 0.00 0.00 0.00 0.00 46.02 46.41 2dmi n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmi s ALA 17 N 0.00 3.90 -0.04 4.61 0.00 -1.26 -5.11 121.76 123.85 2dmi s ALA 17 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 2dmi s ALA 17 Cb 0.00 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.44 2dmi s ALA 17 CO 0.00 0.51 0.07 -1.54 0.00 0.00 0.00 175.76 174.80 2dmi s SER 18 N -3.27 0.85 -0.08 0.00 1.04 -1.26 -4.68 113.70 106.30 2dmi s SER 18 Ca 0.34 0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 2dmi s SER 18 Cb -0.11 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 2dmi s SER 18 CO 0.28 -0.23 0.16 0.11 0.98 0.00 0.00 173.24 174.54 2dmi h LYS 19 N 8.19 -0.12 -7.22 4.02 1.79 -1.58 -3.48 116.57 118.17 2dmi h LYS 19 Ca -0.19 0.01 -0.46 0.00 -2.18 0.00 0.00 60.65 57.83 2dmi h LYS 19 Cb 1.12 0.03 0.09 0.00 -1.58 0.00 0.00 32.23 31.89 2dmi h LYS 19 CO 0.21 -0.08 0.16 -0.06 -1.08 0.00 0.00 179.45 178.60 2dmi s PHE 20 N -1.94 2.12 0.07 -1.35 0.40 -1.04 -5.00 117.98 111.23 2dmi s PHE 20 Ca -0.02 0.03 -0.18 0.00 -0.60 0.00 0.00 56.93 56.16 2dmi s PHE 20 Cb 0.00 -3.17 0.04 0.00 0.51 0.00 0.00 43.02 40.40 2dmi s PHE 20 CO 0.06 -1.64 0.43 1.03 0.70 0.00 0.00 175.22 175.80 2dmi s ARG 21 N -5.22 0.98 -0.17 0.44 0.52 -1.26 -3.16 118.95 111.08 2dmi s ARG 21 Ca 0.64 -0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 55.38 2dmi s ARG 21 Cb -0.07 0.44 -0.03 0.00 0.52 0.00 0.00 34.95 35.81 2dmi s ARG 21 CO 0.45 -0.35 -0.01 0.00 0.02 0.00 0.00 175.30 175.40 2dmi h LYS 23 N 6.91 -0.57 -0.01 0.00 1.63 -1.91 -3.37 116.57 119.25 2dmi h LYS 23 Ca -0.33 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 2dmi h LYS 23 Cb 1.18 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2dmi h LYS 23 CO 0.64 -0.38 -0.02 -0.44 -3.45 0.00 0.00 179.45 175.80 2dmi h ASP 24 N -0.99 -0.05 -2.94 4.20 5.19 -1.96 -3.42 116.42 116.45 2dmi h ASP 24 Ca -0.06 0.01 -0.47 0.00 -0.62 0.00 0.00 57.03 55.88 2dmi h ASP 24 Cb 0.45 0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.01 2dmi h ASP 24 CO 0.10 -0.01 -0.10 0.00 -3.12 0.00 0.00 179.24 176.11 2dmi n SER 26 N -1.98 6.87 -4.26 0.00 2.88 -1.26 -4.36 113.62 111.51 2dmi n SER 26 Ca -0.02 -3.30 -0.34 0.00 -1.33 0.00 0.00 58.87 53.88 2dmi n SER 26 Cb 0.56 -1.04 -0.15 0.00 -0.75 0.00 0.00 64.21 62.84 2dmi n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmi s ALA 27 N -2.46 2.65 0.39 -1.46 0.00 -1.26 -5.01 121.76 114.61 2dmi s ALA 27 Ca 0.42 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 51.31 2dmi s ALA 27 Cb 0.33 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 2dmi s ALA 27 CO -0.01 -0.33 0.46 0.00 0.00 0.00 0.00 175.76 175.87 2dmi s ALA 28 N 1.30 4.24 0.19 0.00 0.00 -1.26 -3.02 121.76 123.21 2dmi s ALA 28 Ca 0.04 -1.67 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 2dmi s ALA 28 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 2dmi s ALA 28 CO -0.05 -0.16 0.11 0.71 0.00 0.00 0.00 175.76 176.37 2dmi s TYR 29 N -2.33 1.14 -0.18 0.00 2.02 -1.19 -4.99 117.35 111.82 2dmi s TYR 29 Ca 0.49 -1.32 -0.07 0.00 -0.37 0.00 0.00 57.07 55.79 2dmi s TYR 29 Cb -0.08 -0.58 -0.22 0.00 -0.40 0.00 0.00 41.96 40.68 2dmi s TYR 29 CO 0.30 -0.57 0.16 -0.25 -1.57 0.00 0.00 175.55 173.61 2dmi n ASP 30 N -0.25 2.04 -4.54 2.29 8.00 -1.26 -1.98 116.55 120.85 2dmi n ASP 30 Ca 0.00 0.17 -0.31 0.00 0.71 0.00 0.00 54.79 55.36 2dmi n ASP 30 Cb 0.65 -0.77 -0.11 0.00 -0.02 0.00 0.00 41.12 40.87 2dmi n ASP 30 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dmi s THR 31 N -2.52 3.23 0.06 -3.53 -4.23 -1.26 -4.27 115.64 103.11 2dmi s THR 31 Ca -0.27 -1.11 -0.26 0.00 -1.18 0.00 0.00 61.69 58.87 2dmi s THR 31 Cb 0.08 -2.43 -0.17 0.00 1.34 0.00 0.00 72.50 71.32 2dmi s THR 31 CO 0.68 0.27 1.57 0.25 -0.54 0.00 0.00 174.62 176.86 2dmi h LEU 32 N 4.20 -0.21 -1.78 4.79 5.85 -1.99 -2.47 115.31 123.70 2dmi h LEU 32 Ca -0.48 -0.09 0.40 0.00 0.84 0.00 0.00 57.88 58.55 2dmi h LEU 32 Cb 1.16 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 2dmi h LEU 32 CO 0.51 -0.04 0.95 1.62 -0.34 0.00 0.00 178.44 181.14 2dmi h VAL 33 N -0.37 0.28 0.08 1.05 3.04 -1.99 1.13 116.25 119.47 2dmi h VAL 33 Ca -0.02 -0.03 -0.25 0.00 -1.01 0.00 0.00 66.70 65.39 2dmi h VAL 33 Cb 0.29 0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 29.76 2dmi h VAL 33 CO 0.04 0.01 -1.13 -0.33 -1.01 0.00 0.00 177.57 175.15 2dmi h GLU 34 N 0.08 0.21 0.09 4.17 4.39 -1.88 -3.23 114.58 118.40 2dmi h GLU 34 Ca 0.70 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 2dmi h GLU 34 Cb 2.54 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 31.31 2dmi h GLU 34 CO -0.13 1.14 -0.04 1.25 -1.16 0.00 0.00 179.01 180.06 2dmi h LEU 35 N 0.07 -0.10 -0.28 1.33 5.85 0.15 -3.31 115.31 119.02 2dmi h LEU 35 Ca -0.09 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.23 2dmi h LEU 35 Cb 1.85 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.86 2dmi h LEU 35 CO 0.18 0.55 -0.28 0.71 -0.34 0.00 0.00 178.44 179.26 2dmi h THR 36 N -0.94 0.00 -1.37 1.05 1.35 -0.54 0.38 112.91 112.85 2dmi h THR 36 Ca -0.01 0.00 0.47 0.00 -0.55 0.00 0.00 66.41 66.32 2dmi h THR 36 Cb 0.52 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.81 2dmi h THR 36 CO 0.02 0.00 0.89 0.55 -0.25 0.00 0.00 175.52 176.73 2dmi n VAL 37 N -4.04 -0.23 0.13 6.82 3.14 -1.22 0.18 118.33 123.11 2dmi n VAL 37 Ca -0.01 1.74 -0.23 0.00 -2.96 0.00 0.00 64.34 62.88 2dmi n VAL 37 Cb 0.16 -2.85 -0.16 0.00 -1.06 0.00 0.00 33.84 29.93 2dmi n VAL 37 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 2dmi h HIS 38 N 0.00 0.88 -0.77 1.45 -0.00 -0.52 -1.19 115.15 115.00 2dmi h HIS 38 Ca 0.86 -0.65 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2dmi h HIS 38 Cb 2.81 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 30.14 2dmi h HIS 38 CO -0.01 1.53 0.49 0.52 -0.00 0.00 0.00 177.93 180.47 2dmi h MET 39 N 0.13 1.02 0.09 5.26 2.86 0.54 -0.30 114.93 124.53 2dmi h MET 39 Ca -0.25 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 57.12 2dmi h MET 39 Cb 2.14 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 33.57 2dmi h MET 39 CO 0.26 0.69 -1.00 -0.91 1.06 0.00 0.00 176.91 177.00 2dmi h ASN 40 N 1.04 0.29 -0.73 1.22 2.35 -1.08 0.26 115.58 118.93 2dmi h ASN 40 Ca 0.28 -0.86 0.10 0.00 -0.55 0.00 0.00 56.30 55.27 2dmi h ASN 40 Cb -0.10 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.10 2dmi h ASN 40 CO -0.06 1.44 0.36 -0.33 -1.65 0.00 0.00 177.43 177.19 2dmi h GLU 41 N -0.53 0.58 0.04 0.81 4.39 -1.11 -3.14 114.58 115.62 2dmi h GLU 41 Ca -0.22 -0.04 -0.30 0.00 0.34 0.00 0.00 59.36 59.14 2dmi h GLU 41 Cb 1.54 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 30.03 2dmi h GLU 41 CO 0.04 0.39 -1.67 0.25 -1.16 0.00 0.00 179.01 176.85 2dmi n THR 42 N -4.87 1.62 0.00 1.13 -2.24 -0.13 -5.02 114.28 104.77 2dmi n THR 42 Ca 0.12 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2dmi n THR 42 Cb 0.30 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 2dmi n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmi n GLY 43 N 1.65 1.17 3.24 3.38 0.00 0.80 -5.07 105.19 110.35 2dmi n GLY 43 Ca -0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2dmi n GLY 43 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dmi n HIS 44 N 0.00 -3.06 -4.29 1.61 8.25 -0.57 -4.76 115.22 112.41 2dmi n HIS 44 Ca 0.00 0.12 -0.16 0.00 -0.26 0.00 0.00 57.72 57.42 2dmi n HIS 44 Cb 0.00 -1.63 -0.10 0.00 1.12 0.00 0.00 29.99 29.38 2dmi n HIS 44 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2dmi s TYR 45 N -2.23 1.41 -0.15 4.41 2.02 -1.26 -4.24 117.35 117.32 2dmi s TYR 45 Ca 0.50 -0.75 -0.35 0.00 -0.37 0.00 0.00 57.07 56.10 2dmi s TYR 45 Cb -0.20 -0.73 -0.12 0.00 -0.40 0.00 0.00 41.96 40.52 2dmi s TYR 45 CO 0.74 0.11 1.93 -2.13 -1.57 0.00 0.00 175.55 174.63 2dmi n ARG 46 N -0.28 1.94 -0.18 -0.62 0.63 -1.26 -3.96 116.66 112.93 2dmi n ARG 46 Ca -0.09 0.69 -0.07 0.00 -0.92 0.00 0.00 57.85 57.46 2dmi n ARG 46 Cb 0.61 -2.61 -0.01 0.00 0.45 0.00 0.00 32.46 30.90 2dmi n ARG 46 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2dmi h ASP 47 N 9.79 -1.27 -3.04 6.15 3.58 -1.92 -3.41 116.42 126.29 2dmi h ASP 47 Ca -0.45 0.23 -0.49 0.00 0.42 0.00 0.00 57.03 56.73 2dmi h ASP 47 Cb 1.28 0.60 0.01 0.00 1.72 0.00 0.00 39.33 42.94 2dmi h ASP 47 CO 0.96 -0.32 -0.13 -0.62 -2.88 0.00 0.00 179.24 176.24 2dmi s ASP 48 N -5.14 6.34 -0.27 2.28 -1.08 -1.26 -4.96 116.67 112.58 2dmi s ASP 48 Ca -0.14 0.60 -0.23 0.00 -0.52 0.00 0.00 52.55 52.25 2dmi s ASP 48 Cb 0.14 -2.10 0.08 0.00 -1.46 0.00 0.00 42.92 39.59 2dmi s ASP 48 CO 0.68 -0.30 0.77 0.20 0.52 0.00 0.00 175.17 177.03 2dmi s ASN 49 N -3.75 -0.73 -0.75 -0.34 -0.87 -1.26 -5.11 114.94 102.12 2dmi s ASN 49 Ca 0.42 1.36 -0.27 0.00 -1.57 0.00 0.00 52.86 52.81 2dmi s ASN 49 Cb -0.10 1.37 0.03 0.00 -0.02 0.00 0.00 41.25 42.52 2dmi s ASN 49 CO 0.35 -0.23 1.37 -1.00 -2.57 0.00 0.00 177.10 175.02 2dmi s HIS 50 N 0.59 2.23 0.07 2.20 3.76 -1.26 -4.96 115.29 117.92 2dmi s HIS 50 Ca -0.01 -0.02 -0.06 0.00 -0.15 0.00 0.00 55.06 54.81 2dmi s HIS 50 Cb -0.05 -4.57 -0.01 0.00 1.11 0.00 0.00 32.58 29.06 2dmi s HIS 50 CO -0.04 -2.09 0.12 -1.83 -0.85 0.00 0.00 174.74 170.05 2dmi s GLU 51 N 5.83 0.74 0.06 1.40 -1.05 -1.26 -5.17 118.70 119.25 2dmi s GLU 51 Ca 0.40 -1.00 0.07 0.00 -0.15 0.00 0.00 54.97 54.29 2dmi s GLU 51 Cb -0.08 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.87 2dmi s GLU 51 CO 0.13 -0.21 -0.16 -0.08 0.95 0.00 0.00 175.26 175.90 2dmi s THR 52 N -3.68 2.97 0.16 1.83 -1.32 -1.26 -5.08 115.64 109.26 2dmi s THR 52 Ca 0.04 -1.21 -0.32 0.00 -1.21 0.00 0.00 61.69 58.99 2dmi s THR 52 Cb 0.05 -2.30 -0.12 0.00 -1.51 0.00 0.00 72.50 68.63 2dmi s THR 52 CO -0.10 0.27 1.76 -0.67 -2.21 0.00 0.00 174.62 173.67 2dmi n ASP 53 N 1.30 3.93 -4.57 8.08 2.03 -1.26 -4.89 116.55 121.17 2dmi n ASP 53 Ca -0.16 1.03 -0.44 0.00 0.52 0.00 0.00 54.79 55.74 2dmi n ASP 53 Cb 0.52 -1.55 -0.01 0.00 -0.72 0.00 0.00 41.12 39.36 2dmi n ASP 53 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2dmi n ASN 54 N 4.66 1.03 -4.45 1.67 2.85 -1.26 -4.92 115.26 114.84 2dmi n ASN 54 Ca 0.17 1.15 -0.44 0.00 -0.11 0.00 0.00 54.58 55.36 2dmi n ASN 54 Cb 0.35 -1.26 -0.07 0.00 1.24 0.00 0.00 39.78 40.03 2dmi n ASN 54 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2dmi s ASN 55 N -0.62 6.20 -0.50 1.20 -0.87 -1.26 -4.99 114.94 114.10 2dmi s ASN 55 Ca 0.59 -0.91 0.03 0.00 -1.57 0.00 0.00 52.86 51.01 2dmi s ASN 55 Cb -0.70 -2.24 0.15 0.00 -0.02 0.00 0.00 41.25 38.44 2dmi s ASN 55 CO 0.59 -0.71 0.33 0.54 -2.57 0.00 0.00 177.10 175.28 2dmi s ASN 56 N 2.32 3.29 0.00 -1.22 4.22 -1.26 -4.94 114.94 117.35 2dmi s ASN 56 Ca 0.11 -3.06 0.15 0.00 -2.14 0.00 0.00 52.86 47.92 2dmi s ASN 56 Cb -0.19 -1.00 0.77 0.00 1.28 0.00 0.00 41.25 42.11 2dmi s ASN 56 CO 0.11 -0.19 1.40 -0.81 -2.04 0.00 0.00 177.10 175.58 2dmi n PRO 57 N 2.95 0.24 -0.56 3.55 -0.04 -1.26 -3.22 135.00 136.65 2dmi n PRO 57 Ca 0.18 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2dmi n PRO 57 Cb 0.39 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.40 2dmi n PRO 57 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2dmi n LYS 58 N -1.26 1.50 -3.60 0.54 2.85 -1.26 -4.58 118.16 112.35 2dmi n LYS 58 Ca 0.07 -1.10 -0.28 0.00 -1.05 0.00 0.00 58.31 55.95 2dmi n LYS 58 Cb 0.11 -1.43 -0.12 0.00 -0.65 0.00 0.00 35.03 32.94 2dmi n LYS 58 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2dmi s ARG 59 N -1.23 1.20 0.17 -1.58 6.06 -1.20 -5.11 118.95 117.26 2dmi s ARG 59 Ca 0.21 -2.09 0.09 0.00 -2.50 0.00 0.00 55.73 51.44 2dmi s ARG 59 Cb 0.17 -2.02 -0.04 0.00 0.06 0.00 0.00 34.95 33.12 2dmi s ARG 59 CO 0.02 -1.25 -0.20 -0.46 -2.50 0.00 0.00 175.30 170.91 2dmi s TRP 60 N 0.15 1.95 0.02 5.12 -0.11 -1.26 -5.14 118.94 119.67 2dmi s TRP 60 Ca 0.23 -0.43 0.02 0.00 1.22 0.00 0.00 56.10 57.14 2dmi s TRP 60 Cb -0.13 -0.97 -0.01 0.00 -1.50 0.00 0.00 33.47 30.85 2dmi s TRP 60 CO -0.08 0.38 -0.07 -1.12 -4.62 0.00 0.00 176.95 171.44 2dmi s SER 61 N -2.65 0.76 0.55 5.86 0.01 -1.26 -5.15 113.70 111.82 2dmi s SER 61 Ca 0.17 -0.32 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 2dmi s SER 61 Cb -0.06 -0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.09 2dmi s SER 61 CO 0.07 -0.06 1.08 -0.54 0.41 0.00 0.00 173.24 174.20 2dmi s LYS 62 N -0.82 3.44 0.85 12.44 1.02 -1.26 -5.05 119.74 130.36 2dmi s LYS 62 Ca -0.04 1.39 -0.14 0.00 0.02 0.00 0.00 55.97 57.21 2dmi s LYS 62 Cb -0.06 -2.04 0.21 0.00 -0.52 0.00 0.00 37.83 35.43 2dmi s LYS 62 CO 0.00 -0.74 0.76 -0.35 -0.92 0.00 0.00 175.35 174.10 2dmi n PRO 63 N -1.49 -2.49 -4.49 -1.68 -0.04 -1.26 -5.08 135.00 118.46 2dmi n PRO 63 Ca 0.10 -1.21 -0.22 0.00 -0.04 0.00 0.00 63.50 62.13 2dmi n PRO 63 Cb 0.52 -1.13 -0.14 0.00 -0.04 0.00 0.00 33.50 32.71 2dmi n PRO 63 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2dmi s ARG 64 N -4.71 1.09 -0.02 0.54 3.00 -1.26 -5.14 118.95 112.45 2dmi s ARG 64 Ca 0.49 -0.75 -0.18 0.00 -1.00 0.00 0.00 55.73 54.30 2dmi s ARG 64 Cb -0.05 -1.12 -0.05 0.00 0.00 0.00 0.00 34.95 33.73 2dmi s ARG 64 CO 0.38 0.29 0.49 -1.59 0.00 0.00 0.00 175.30 174.87 2dmi s LYS 65 N -0.97 4.17 0.58 5.12 -2.85 -1.26 -5.09 119.74 119.45 2dmi s LYS 65 Ca 0.04 0.55 0.07 0.00 -1.00 0.00 0.00 55.97 55.63 2dmi s LYS 65 Cb -0.08 -3.31 0.07 0.00 -2.06 0.00 0.00 37.83 32.45 2dmi s LYS 65 CO 0.01 0.46 0.60 -0.98 0.10 0.00 0.00 175.35 175.54 2dmi s ARG 66 N -0.41 2.23 -0.20 1.78 1.70 -1.26 -5.10 118.95 117.69 2dmi s ARG 66 Ca 0.27 -1.90 -0.14 0.00 -0.47 0.00 0.00 55.73 53.49 2dmi s ARG 66 Cb -0.17 -2.33 -0.04 0.00 -0.57 0.00 0.00 34.95 31.83 2dmi s ARG 66 CO 0.14 -0.80 0.30 -1.12 -1.08 0.00 0.00 175.30 172.75 2dmi s SER 67 N -4.49 6.35 -0.40 -2.89 0.01 -1.26 -4.98 113.70 106.04 2dmi s SER 67 Ca 0.46 0.41 0.04 0.00 1.31 0.00 0.00 55.95 58.18 2dmi s SER 67 Cb -0.04 -2.18 0.46 0.00 0.21 0.00 0.00 66.02 64.47 2dmi s SER 67 CO 0.29 0.02 1.46 0.00 0.41 0.00 0.00 173.24 175.42 2dmi n LEU 68 N 4.13 5.68 -2.85 2.44 -0.00 -1.26 -5.07 117.00 120.07 2dmi n LEU 68 Ca -0.11 -4.54 -0.29 0.00 -0.00 0.00 0.00 56.01 51.07 2dmi n LEU 68 Cb 0.52 -0.55 -0.01 0.00 -0.00 0.00 0.00 43.42 43.38 2dmi n LEU 68 CO 0.39 1.86 -0.19 0.18 -0.00 0.00 0.00 177.39 179.62 2dmi n LEU 69 N -0.81 -1.53 -4.52 1.47 4.32 -1.26 -4.92 117.00 109.75 2dmi n LEU 69 Ca 0.49 0.60 -0.34 0.00 -0.02 0.00 0.00 56.01 56.74 2dmi n LEU 69 Cb 0.88 -0.59 -0.12 0.00 -1.62 0.00 0.00 43.42 41.97 2dmi n LEU 69 CO 0.50 -2.49 -0.37 -1.61 -1.22 0.00 0.00 177.39 172.19 2dmi s GLU 70 N -0.66 3.32 1.16 3.23 8.01 -1.26 -5.12 118.70 127.39 2dmi s GLU 70 Ca 0.40 -0.54 -0.19 0.00 0.01 0.00 0.00 54.97 54.65 2dmi s GLU 70 Cb -0.48 -2.77 0.28 0.00 -4.31 0.00 0.00 34.13 26.84 2dmi s GLU 70 CO 0.40 0.39 1.16 -1.64 0.01 0.00 0.00 175.26 175.58 2dmi s MET 71 N -0.07 -0.93 0.45 1.61 -1.94 -1.26 -5.09 119.30 112.07 2dmi s MET 71 Ca 0.01 -0.19 0.03 0.00 -1.71 0.00 0.00 55.69 53.83 2dmi s MET 71 Cb -0.13 -1.64 -0.03 0.00 2.01 0.00 0.00 34.83 35.04 2dmi s MET 71 CO 0.03 -3.50 0.05 -1.21 -0.01 0.00 0.00 175.02 170.38 2dmi s GLU 72 N -5.55 2.03 -0.27 2.03 2.02 -1.26 -5.14 118.70 112.57 2dmi s GLU 72 Ca 0.72 -2.25 0.01 0.00 0.02 0.00 0.00 54.97 53.47 2dmi s GLU 72 Cb -0.08 -1.16 0.08 0.00 0.10 0.00 0.00 34.13 33.07 2dmi s GLU 72 CO 0.55 -0.35 0.00 0.20 0.02 0.00 0.00 175.26 175.68 2dmi s GLY 73 N -3.73 1.32 -0.04 -1.39 0.00 -1.26 -5.07 107.32 97.16 2dmi s GLY 73 Ca 0.18 -1.60 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 2dmi s GLY 73 CO 0.10 1.11 0.06 0.54 0.00 0.00 0.00 173.10 174.91 2dmi s LYS 74 N 1.38 -0.05 -1.56 2.90 1.02 -1.26 -4.88 119.74 117.30 2dmi s LYS 74 Ca 0.01 0.32 -0.10 0.00 0.02 0.00 0.00 55.97 56.22 2dmi s LYS 74 Cb -0.18 -0.37 0.10 0.00 -0.52 0.00 0.00 37.83 36.86 2dmi s LYS 74 CO -0.11 -0.25 0.26 -1.91 -0.92 0.00 0.00 175.35 172.41 2dmi n GLU 75 N 4.80 -0.85 -2.25 1.68 0.00 -1.26 -4.90 120.64 117.86 2dmi n GLU 75 Ca -0.14 0.10 -0.27 0.00 0.00 0.00 0.00 57.16 56.85 2dmi n GLU 75 Cb 0.50 -3.76 0.15 0.00 0.00 0.00 0.00 31.44 28.33 2dmi n GLU 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2dmi s ASP 76 N -3.70 3.67 -0.68 4.31 2.15 -1.26 -4.89 116.67 116.27 2dmi s ASP 76 Ca 0.36 -0.06 -0.27 0.00 0.43 0.00 0.00 52.55 53.01 2dmi s ASP 76 Cb -0.21 -0.13 -0.25 0.00 -0.30 0.00 0.00 42.92 42.03 2dmi s ASP 76 CO 0.93 -2.34 1.88 0.00 -0.17 0.00 0.00 175.17 175.46 2dmi n ALA 77 N -3.33 1.11 -2.20 3.66 0.00 -1.26 -4.86 120.51 113.63 2dmi n ALA 77 Ca 0.15 -2.67 -0.22 0.00 0.00 0.00 0.00 53.44 50.71 2dmi n ALA 77 Cb 0.60 -3.55 0.02 0.00 0.00 0.00 0.00 19.45 16.52 2dmi n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dmi s GLN 78 N 7.19 2.37 0.59 0.00 -1.52 -1.26 -4.95 119.66 122.08 2dmi s GLN 78 Ca 0.72 -1.72 0.37 0.00 -1.95 0.00 0.00 55.36 52.78 2dmi s GLN 78 Cb 0.05 -2.41 1.30 0.00 -0.22 0.00 0.00 33.01 31.73 2dmi s GLN 78 CO 0.23 -0.60 1.44 1.57 -0.25 0.00 0.00 175.29 177.68 2dmi h LYS 79 N 0.58 0.00 -3.20 2.91 5.09 -2.03 -3.41 116.57 116.51 2dmi h LYS 79 Ca -0.35 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.41 2dmi h LYS 79 Cb 1.29 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.56 2dmi h LYS 79 CO 0.50 0.00 0.13 0.54 -2.09 0.00 0.00 179.45 178.53 2dmi s VAL 80 N -4.64 0.00 0.10 0.07 0.11 -1.26 -5.10 120.40 109.68 2dmi s VAL 80 Ca -0.04 -1.12 0.07 0.00 -2.93 0.00 0.00 61.98 57.96 2dmi s VAL 80 Cb 0.20 -2.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.87 2dmi s VAL 80 CO 0.66 0.00 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.56 2dmi s LEU 81 N -2.96 2.96 -0.11 2.54 2.01 -1.26 -4.91 118.68 116.95 2dmi s LEU 81 Ca 0.15 -0.41 -0.05 0.00 0.01 0.00 0.00 54.13 53.83 2dmi s LEU 81 Cb -0.04 -1.77 0.05 0.00 0.01 0.00 0.00 46.19 44.44 2dmi s LEU 81 CO 0.08 0.18 0.23 -0.75 1.01 0.00 0.00 176.35 177.11 2dmi s LYS 82 N -2.14 0.15 0.80 1.70 2.47 -1.26 -1.93 119.74 119.53 2dmi s LYS 82 Ca 0.20 0.59 -0.13 0.00 -1.56 0.00 0.00 55.97 55.07 2dmi s LYS 82 Cb -0.11 -0.12 0.08 0.00 -1.46 0.00 0.00 37.83 36.22 2dmi s LYS 82 CO 0.13 -0.22 1.21 0.00 0.16 0.00 0.00 175.35 176.62 2dmi n MET 84 N -3.25 0.68 0.00 0.00 2.81 -1.26 -3.39 117.12 112.71 2dmi n MET 84 Ca 0.14 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2dmi n MET 84 Cb 0.50 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 2dmi n MET 84 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2dmi n TYR 85 N -2.78 0.00 0.08 2.03 9.36 -1.26 -4.55 117.16 120.04 2dmi n TYR 85 Ca -0.28 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.72 2dmi n TYR 85 Cb 1.10 -0.38 -0.15 0.00 -0.63 0.00 0.00 39.34 39.29 2dmi n TYR 85 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dmi n GLY 87 N 1.59 -0.26 2.85 0.00 0.00 -1.22 -5.03 105.19 103.14 2dmi n GLY 87 Ca -0.14 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 2dmi n GLY 87 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dmi s HIS 88 N -0.77 0.14 0.02 1.61 3.76 -1.26 -4.84 115.29 113.95 2dmi s HIS 88 Ca 0.00 0.01 -0.27 0.00 -0.15 0.00 0.00 55.06 54.65 2dmi s HIS 88 Cb 0.00 -0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.47 2dmi s HIS 88 CO 0.00 -0.04 0.87 -1.54 -0.85 0.00 0.00 174.74 173.17 2dmi s SER 89 N 0.39 7.27 0.03 1.40 1.04 -1.26 -2.65 113.70 119.93 2dmi s SER 89 Ca -0.03 1.53 0.05 0.00 0.48 0.00 0.00 55.95 57.98 2dmi s SER 89 Cb -0.06 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 2dmi s SER 89 CO -0.01 -0.13 -0.11 -0.36 0.98 0.00 0.00 173.24 173.60 2dmi s PHE 90 N 0.55 2.75 0.10 5.02 0.08 -0.81 -5.02 117.98 120.64 2dmi s PHE 90 Ca 0.45 -0.14 -0.16 0.00 0.12 0.00 0.00 56.93 57.20 2dmi s PHE 90 Cb -0.21 -1.53 -0.06 0.00 -0.57 0.00 0.00 43.02 40.65 2dmi s PHE 90 CO 0.25 0.33 1.50 1.05 -0.10 0.00 0.00 175.22 178.25 2dmi h GLU 91 N 4.41 0.60 -6.06 0.44 4.11 -1.97 -3.34 114.58 112.77 2dmi h GLU 91 Ca -0.48 -0.23 -0.59 0.00 0.07 0.00 0.00 59.36 58.13 2dmi h GLU 91 Cb 1.16 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 2dmi h GLU 91 CO 0.51 0.79 -0.65 -1.54 0.07 0.00 0.00 179.01 178.20 2dmi s SER 92 N -6.21 4.11 0.03 3.06 1.04 -1.26 -4.93 113.70 109.55 2dmi s SER 92 Ca -0.13 -0.97 -0.20 0.00 0.48 0.00 0.00 55.95 55.14 2dmi s SER 92 Cb 0.09 -0.53 -0.17 0.00 0.10 0.00 0.00 66.02 65.51 2dmi s SER 92 CO 0.79 -0.16 1.25 0.25 0.98 0.00 0.00 173.24 176.34 2dmi h LEU 93 N 1.90 0.48 -0.83 2.42 6.46 -2.00 -3.23 115.31 120.50 2dmi h LEU 93 Ca -0.43 -0.59 0.20 0.00 -0.12 0.00 0.00 57.88 56.94 2dmi h LEU 93 Cb 1.25 -0.14 -0.12 0.00 -0.73 0.00 0.00 40.66 40.92 2dmi h LEU 93 CO 0.65 0.99 0.29 -0.61 -0.62 0.00 0.00 178.44 179.13 2dmi h GLN 94 N -0.01 0.32 -0.61 1.25 5.75 -2.00 0.11 115.11 119.92 2dmi h GLN 94 Ca -0.01 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 2dmi h GLN 94 Cb 0.93 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 29.35 2dmi h GLN 94 CO 0.07 0.21 0.30 -0.44 -2.65 0.00 0.00 178.83 176.31 2dmi h ASP 95 N 0.33 0.40 -0.21 -0.69 5.19 -1.98 -1.33 116.42 118.12 2dmi h ASP 95 Ca 0.50 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 57.00 2dmi h ASP 95 Cb 0.92 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.37 2dmi h ASP 95 CO -0.54 0.26 -0.07 0.25 -3.12 0.00 0.00 179.24 176.02 2dmi h LEU 96 N 0.54 -0.25 0.30 1.55 7.12 -0.85 0.26 115.31 124.00 2dmi h LEU 96 Ca 0.28 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.35 2dmi h LEU 96 Cb 0.24 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 2dmi h LEU 96 CO -0.22 -0.09 -0.15 0.28 -0.13 0.00 0.00 178.44 178.13 2dmi h SER 97 N -0.03 -0.35 -0.84 1.25 0.02 -1.07 -1.95 113.55 110.58 2dmi h SER 97 Ca 0.11 0.01 0.24 0.00 -0.84 0.00 0.00 61.79 61.31 2dmi h SER 97 Cb 0.19 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2dmi h SER 97 CO -0.23 -0.25 0.68 1.62 -1.14 0.00 0.00 176.83 177.51 2dmi h VAL 98 N -0.41 0.42 0.36 2.27 3.04 -1.25 -0.84 116.25 119.85 2dmi h VAL 98 Ca -0.04 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 2dmi h VAL 98 Cb 0.32 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 2dmi h VAL 98 CO 0.07 0.00 -0.17 -0.74 -1.01 0.00 0.00 177.57 175.71 2dmi h HIS 99 N 0.00 -0.45 -0.01 3.17 -0.00 -0.13 -1.87 115.15 115.85 2dmi h HIS 99 Ca 0.40 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.77 2dmi h HIS 99 Cb 1.76 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 29.29 2dmi h HIS 99 CO 0.00 -0.14 -0.28 0.52 -0.00 0.00 0.00 177.93 178.03 2dmi h MET 100 N -0.76 -0.34 -0.95 5.26 2.86 -0.37 0.22 114.93 120.85 2dmi h MET 100 Ca -0.05 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.84 2dmi h MET 100 Cb 0.51 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.13 2dmi h MET 100 CO 0.08 -0.22 0.50 0.82 1.06 0.00 0.00 176.91 179.15 2dmi h ILE 101 N -0.35 0.53 -0.76 -1.22 5.03 -1.62 2.04 117.51 121.16 2dmi h ILE 101 Ca 0.01 -0.18 -0.05 0.00 -0.12 0.00 0.00 64.86 64.52 2dmi h ILE 101 Cb 0.38 -0.03 -0.03 0.00 -3.03 0.00 0.00 36.82 34.10 2dmi h ILE 101 CO -0.20 0.09 0.28 0.11 -0.68 0.00 0.00 178.15 177.76 2dmi h LYS 102 N 0.52 1.15 -0.39 2.37 1.57 -0.41 -2.70 116.57 118.68 2dmi h LYS 102 Ca 0.60 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2dmi h LYS 102 Cb 1.11 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2dmi h LYS 102 CO -0.48 0.95 0.00 0.25 -0.57 0.00 0.00 179.45 179.59 2dmi n THR 103 N -4.27 2.45 -3.71 -0.16 -2.24 0.79 -4.95 114.28 102.19 2dmi n THR 103 Ca 0.07 -1.68 -0.28 0.00 -2.27 0.00 0.00 64.05 59.89 2dmi n THR 103 Cb 0.20 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 2dmi n THR 103 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2dmi n LYS 104 N -0.04 -0.84 0.12 -0.78 5.02 0.66 -4.76 118.16 117.54 2dmi n LYS 104 Ca 0.24 0.09 -0.21 0.00 -2.02 0.00 0.00 58.31 56.41 2dmi n LYS 104 Cb 1.00 -3.13 -0.15 0.00 -0.02 0.00 0.00 35.03 32.73 2dmi n LYS 104 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dmi h HIS 105 N -0.73 0.74 -1.00 2.13 3.86 -1.58 -2.96 115.15 115.61 2dmi h HIS 105 Ca -0.44 -0.54 0.15 0.00 -1.16 0.00 0.00 60.37 58.38 2dmi h HIS 105 Cb 0.99 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.34 2dmi h HIS 105 CO 0.47 1.45 0.62 0.10 0.86 0.00 0.00 177.93 181.43 2dmi h TYR 106 N 0.11 1.10 0.02 2.45 -0.00 -1.86 -2.28 116.97 116.51 2dmi h TYR 106 Ca -0.22 0.03 -0.09 0.00 -0.00 0.00 0.00 58.73 58.45 2dmi h TYR 106 Cb 2.08 -0.34 0.01 0.00 -0.00 0.00 0.00 36.73 38.48 2dmi h TYR 106 CO 0.10 0.35 -0.38 1.96 -0.00 0.00 0.00 178.16 180.19 2dmi h GLN 107 N 0.88 0.22 -5.73 0.10 1.08 -1.92 -3.42 115.11 106.32 2dmi h GLN 107 Ca 0.53 -0.26 -0.63 0.00 -1.45 0.00 0.00 58.65 56.84 2dmi h GLN 107 Cb 0.68 0.08 -0.13 0.00 -0.05 0.00 0.00 27.48 28.06 2dmi h GLN 107 CO -0.31 1.02 0.32 0.15 -0.95 0.00 0.00 178.83 179.06 2dmi s LYS 108 N -2.91 3.45 0.00 1.46 -0.14 -0.86 -4.81 119.74 115.94 2dmi s LYS 108 Ca -0.15 -0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.39 2dmi s LYS 108 Cb 0.01 -3.92 0.00 0.00 -1.68 0.00 0.00 37.83 32.24 2dmi s LYS 108 CO 0.77 -1.05 0.00 0.28 -0.76 0.00 0.00 175.35 174.59 2dmi n VAL 109 N 6.03 0.00 -3.54 3.17 0.31 -1.26 -4.66 118.33 118.39 2dmi n VAL 109 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 2dmi n VAL 109 Cb 0.48 -0.41 -0.05 0.00 -0.91 0.00 0.00 33.84 32.94 2dmi n VAL 109 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2dmi s SER 110 N -3.80 -0.53 -0.01 4.52 1.04 -1.26 -4.91 113.70 108.76 2dmi s SER 110 Ca 0.00 0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.99 2dmi s SER 110 Cb 0.00 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2dmi s SER 110 CO 0.00 -0.50 0.01 -0.83 0.98 0.00 0.00 173.24 172.90 2dmi s GLY 111 N -1.22 1.90 1.25 7.32 0.00 -1.26 -5.12 107.32 110.19 2dmi s GLY 111 Ca -0.06 -0.93 -0.21 0.00 0.00 0.00 0.00 44.72 43.51 2dmi s GLY 111 CO 0.05 -0.80 1.10 -1.55 0.00 0.00 0.00 173.10 171.91 2dmi n PRO 112 N 1.39 -3.19 -4.06 2.90 -0.04 -1.26 -5.10 135.00 125.65 2dmi n PRO 112 Ca -0.14 -1.77 -0.11 0.00 -0.04 0.00 0.00 63.50 61.44 2dmi n PRO 112 Cb 0.53 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 2dmi n PRO 112 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmi s SER 113 N -4.47 0.17 0.31 3.54 0.15 -1.26 -5.19 113.70 106.96 2dmi s SER 113 Ca 0.72 -1.15 -0.15 0.00 0.70 0.00 0.00 55.95 56.07 2dmi s SER 113 Cb -0.07 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 2dmi s SER 113 CO 0.55 -1.12 0.65 -0.55 1.20 0.00 0.00 173.24 173.97 2dmi s SER 114 N -3.09 0.01 0.00 5.45 0.15 -1.26 -5.37 113.70 109.58 2dmi s SER 114 Ca 0.28 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2dmi s SER 114 Cb 0.01 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2dmi s SER 114 CO 0.12 -1.39 0.00 0.61 1.20 0.00 0.00 173.24 173.78