#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmi s SER 2 N 0.00 -0.50 0.30 1.61 1.04 -1.26 -5.19 113.70 109.71 2dmi s SER 2 Ca 0.00 0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.41 2dmi s SER 2 Cb 0.00 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2dmi s SER 2 CO 0.00 -0.77 0.57 -0.44 0.98 0.00 0.00 173.24 173.58 2dmi s SER 3 N -2.39 0.11 0.00 7.02 0.01 -1.26 -5.17 113.70 112.01 2dmi s SER 3 Ca 0.01 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2dmi s SER 3 Cb -0.01 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.90 2dmi s SER 3 CO -0.08 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 172.87 2dmi n GLY 4 N -0.46 4.82 3.39 3.44 0.00 -1.26 -5.15 105.19 109.96 2dmi n GLY 4 Ca -0.03 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 2dmi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmi s SER 5 N 0.00 3.36 0.69 1.61 0.01 -1.26 -5.14 113.70 112.97 2dmi s SER 5 Ca 0.00 -0.62 -0.10 0.00 1.31 0.00 0.00 55.95 56.54 2dmi s SER 5 Cb 0.00 -0.33 0.02 0.00 0.21 0.00 0.00 66.02 65.93 2dmi s SER 5 CO 0.00 0.22 1.05 -0.44 0.41 0.00 0.00 173.24 174.48 2dmi s SER 6 N -1.63 5.34 0.25 2.44 0.01 -1.26 -5.09 113.70 113.76 2dmi s SER 6 Ca 0.13 0.93 0.10 0.00 1.31 0.00 0.00 55.95 58.43 2dmi s SER 6 Cb -0.10 -1.74 -0.05 0.00 0.21 0.00 0.00 66.02 64.35 2dmi s SER 6 CO 0.04 -1.35 -0.11 -0.83 0.41 0.00 0.00 173.24 171.41 2dmi s GLY 7 N -4.38 1.75 0.02 3.44 0.00 -1.26 -5.15 107.32 101.75 2dmi s GLY 7 Ca 0.58 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 43.46 2dmi s GLY 7 CO 0.49 -1.75 0.31 0.54 0.00 0.00 0.00 173.10 172.70 2dmi s LYS 8 N -3.35 0.76 0.16 2.90 1.02 -1.26 -5.18 119.74 114.81 2dmi s LYS 8 Ca 0.29 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.93 2dmi s LYS 8 Cb -0.07 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.53 2dmi s LYS 8 CO 0.16 -0.23 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.80 2dmi s LEU 9 N -1.78 2.35 0.36 3.17 1.43 -1.26 -5.17 118.68 117.77 2dmi s LEU 9 Ca -0.08 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 2dmi s LEU 9 Cb -0.02 -0.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.93 2dmi s LEU 9 CO -0.00 -0.45 0.07 -0.31 0.23 0.00 0.00 176.35 175.89 2dmi s TYR 10 N -3.48 1.91 0.00 0.29 1.51 -1.26 -5.15 117.35 111.18 2dmi s TYR 10 Ca 0.20 -1.04 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 2dmi s TYR 10 Cb 0.05 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 2dmi s TYR 10 CO 0.02 -0.06 0.00 0.41 -1.11 0.00 0.00 175.55 174.81 2dmi n GLY 11 N -0.77 4.08 2.83 0.71 0.00 -1.26 -5.14 105.19 105.64 2dmi n GLY 11 Ca -0.04 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2dmi n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmi s SER 12 N 1.63 3.66 0.13 1.61 0.15 -1.26 -5.12 113.70 114.49 2dmi s SER 12 Ca 0.00 -1.23 -0.19 0.00 0.70 0.00 0.00 55.95 55.23 2dmi s SER 12 Cb 0.00 -0.95 -0.07 0.00 -1.71 0.00 0.00 66.02 63.29 2dmi s SER 12 CO 0.00 -0.31 0.62 0.27 1.20 0.00 0.00 173.24 175.02 2dmi s ILE 13 N 1.56 4.69 0.12 6.45 -4.36 -1.26 -5.08 121.20 123.32 2dmi s ILE 13 Ca 0.00 1.20 -0.02 0.00 -0.26 0.00 0.00 60.65 61.57 2dmi s ILE 13 Cb -0.18 -3.88 -0.05 0.00 1.25 0.00 0.00 42.46 39.60 2dmi s ILE 13 CO -0.11 0.42 0.30 0.72 0.24 0.00 0.00 174.94 176.51 2dmi s PHE 14 N -1.27 3.49 -0.28 1.37 -0.12 -1.26 -5.09 117.98 114.82 2dmi s PHE 14 Ca 0.34 0.38 -0.00 0.00 -0.05 0.00 0.00 56.93 57.60 2dmi s PHE 14 Cb -0.18 -1.86 0.05 0.00 -0.63 0.00 0.00 43.02 40.39 2dmi s PHE 14 CO 0.20 0.50 -0.04 0.99 -0.05 0.00 0.00 175.22 176.82 2dmi s THR 15 N -1.63 2.70 -0.28 -4.49 2.01 -1.26 -4.88 115.64 107.81 2dmi s THR 15 Ca 0.38 -1.44 -0.25 0.00 0.31 0.00 0.00 61.69 60.68 2dmi s THR 15 Cb -0.12 -2.55 0.04 0.00 0.01 0.00 0.00 72.50 69.88 2dmi s THR 15 CO 0.27 -0.06 0.42 0.61 -0.69 0.00 0.00 174.62 175.17 2dmi n GLY 16 N 4.56 0.13 3.92 4.40 0.00 -1.26 -4.93 105.19 112.01 2dmi n GLY 16 Ca -0.14 0.73 -0.26 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.14 3.24 -0.30 4.61 0.00 -1.26 -5.10 121.76 121.81 2dmi s ALA 17 Ca 0.24 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 2dmi s ALA 17 Cb -0.03 -2.60 0.18 0.00 0.00 0.00 0.00 23.12 20.68 2dmi s ALA 17 CO 0.55 -1.04 1.14 0.45 0.00 0.00 0.00 175.76 176.86 2dmi s SER 18 N -4.41 -0.25 0.12 0.00 0.15 -1.26 -5.00 113.70 103.06 2dmi s SER 18 Ca 0.57 0.39 -0.26 0.00 0.70 0.00 0.00 55.95 57.35 2dmi s SER 18 Cb -0.11 1.11 -0.06 0.00 -1.71 0.00 0.00 66.02 65.26 2dmi s SER 18 CO 0.45 -0.06 1.64 0.11 1.20 0.00 0.00 173.24 176.58 2dmi h LYS 19 N 5.60 -0.39 -5.81 5.44 6.56 -1.78 -3.41 116.57 122.78 2dmi h LYS 19 Ca -0.26 0.03 -0.67 0.00 -1.06 0.00 0.00 60.65 58.68 2dmi h LYS 19 Cb 1.17 0.09 -0.10 0.00 -0.57 0.00 0.00 32.23 32.81 2dmi h LYS 19 CO 0.21 -0.26 -0.54 -0.06 -2.06 0.00 0.00 179.45 176.74 2dmi s PHE 20 N -6.07 3.40 -0.07 -1.35 0.40 -0.36 -5.02 117.98 108.92 2dmi s PHE 20 Ca -0.15 0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 56.53 2dmi s PHE 20 Cb 0.09 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.79 2dmi s PHE 20 CO 0.66 0.62 0.02 1.03 0.70 0.00 0.00 175.22 178.24 2dmi s ARG 21 N -1.05 0.45 -1.23 0.44 0.52 -1.26 -0.91 118.95 115.91 2dmi s ARG 21 Ca 0.15 0.14 -0.20 0.00 -0.52 0.00 0.00 55.73 55.30 2dmi s ARG 21 Cb -0.12 -0.95 0.03 0.00 0.52 0.00 0.00 34.95 34.43 2dmi s ARG 21 CO 0.04 -0.33 1.76 0.00 0.02 0.00 0.00 175.30 176.79 2dmi n LYS 23 N 8.44 -0.22 -0.24 0.00 4.81 -1.26 -0.66 118.16 129.03 2dmi n LYS 23 Ca 0.46 1.29 -0.06 0.00 -0.87 0.00 0.00 58.31 59.13 2dmi n LYS 23 Cb 0.47 -1.92 -0.06 0.00 0.02 0.00 0.00 35.03 33.54 2dmi n LYS 23 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2dmi n ASP 24 N -5.22 -0.62 -3.72 3.14 9.92 -1.26 -4.54 116.55 114.25 2dmi n ASP 24 Ca 0.08 1.17 -0.12 0.00 -0.53 0.00 0.00 54.79 55.39 2dmi n ASP 24 Cb 0.33 -0.20 0.03 0.00 -0.64 0.00 0.00 41.12 40.64 2dmi n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dmi n SER 26 N -2.49 7.53 -4.71 0.00 2.88 -1.26 -4.69 113.62 110.89 2dmi n SER 26 Ca 0.08 -3.79 -0.29 0.00 -1.33 0.00 0.00 58.87 53.54 2dmi n SER 26 Cb 0.36 -0.95 -0.08 0.00 -0.75 0.00 0.00 64.21 62.78 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 -3.81 3.66 0.24 -1.46 0.00 -1.26 -5.07 121.76 114.05 2dmi s ALA 27 Ca 0.64 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 2dmi s ALA 27 Cb 0.51 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.61 2dmi s ALA 27 CO -0.01 -0.12 0.58 0.00 0.00 0.00 0.00 175.76 176.22 2dmi s ALA 28 N -2.75 -0.87 0.08 0.00 0.00 -1.26 -2.43 121.76 114.53 2dmi s ALA 28 Ca 0.26 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 2dmi s ALA 28 Cb 0.05 0.91 0.00 0.00 0.00 0.00 0.00 23.12 24.09 2dmi s ALA 28 CO 0.14 -0.90 0.21 0.71 0.00 0.00 0.00 175.76 175.92 2dmi s TYR 29 N -3.92 0.10 -0.15 0.00 2.02 -0.09 -4.96 117.35 110.35 2dmi s TYR 29 Ca 0.13 -0.49 -0.18 0.00 -0.37 0.00 0.00 57.07 56.16 2dmi s TYR 29 Cb -0.03 -0.02 -0.24 0.00 -0.40 0.00 0.00 41.96 41.27 2dmi s TYR 29 CO 0.03 -0.54 0.41 -0.44 -1.57 0.00 0.00 175.55 173.44 2dmi h ASP 30 N 2.82 0.20 -3.57 2.29 5.19 -1.94 -0.93 116.42 120.48 2dmi h ASP 30 Ca -0.34 -0.74 -0.68 0.00 -0.62 0.00 0.00 57.03 54.65 2dmi h ASP 30 Cb 1.20 -0.06 -0.17 0.00 0.18 0.00 0.00 39.33 40.48 2dmi h ASP 30 CO 0.54 1.55 -0.68 0.42 -3.12 0.00 0.00 179.24 177.94 2dmi s THR 31 N -2.42 3.79 0.16 0.35 -4.23 -1.26 -4.41 115.64 107.63 2dmi s THR 31 Ca -0.24 -0.61 -0.16 0.00 -1.18 0.00 0.00 61.69 59.50 2dmi s THR 31 Cb 0.05 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.29 2dmi s THR 31 CO 0.69 0.47 1.78 0.25 -0.54 0.00 0.00 174.62 177.27 2dmi h LEU 32 N 4.77 0.30 -1.14 4.79 5.85 -1.99 -1.01 115.31 126.88 2dmi h LEU 32 Ca -0.49 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.29 2dmi h LEU 32 Cb 1.17 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2dmi h LEU 32 CO 0.54 0.22 0.68 -0.37 -0.34 0.00 0.00 178.44 179.17 2dmi h VAL 33 N 0.42 0.03 0.04 1.05 -1.51 -2.00 0.27 116.25 114.55 2dmi h VAL 33 Ca 0.17 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.34 2dmi h VAL 33 Cb 0.07 0.35 -0.03 0.00 -2.13 0.00 0.00 31.29 29.54 2dmi h VAL 33 CO -0.11 0.00 -1.65 -0.62 -1.23 0.00 0.00 177.57 173.96 2dmi n GLU 34 N -2.84 0.63 0.08 5.19 1.02 -0.41 -4.08 120.64 120.23 2dmi n GLU 34 Ca 0.02 0.44 -0.13 0.00 -0.02 0.00 0.00 57.16 57.46 2dmi n GLU 34 Cb 0.74 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 2dmi n GLU 34 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2dmi h LEU 35 N -0.63 -0.13 -0.48 -4.62 5.85 -0.34 -3.14 115.31 111.82 2dmi h LEU 35 Ca -0.41 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.20 2dmi h LEU 35 Cb 1.58 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.58 2dmi h LEU 35 CO -0.13 0.08 -0.38 0.71 -0.34 0.00 0.00 178.44 178.38 2dmi h THR 36 N -0.34 0.00 -0.94 1.05 1.35 -0.93 0.29 112.91 113.39 2dmi h THR 36 Ca -0.02 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 66.13 2dmi h THR 36 Cb 0.28 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 66.54 2dmi h THR 36 CO 0.03 0.00 0.26 0.58 -0.25 0.00 0.00 175.52 176.13 2dmi h VAL 37 N -0.12 0.18 -0.42 6.82 2.07 -1.70 0.55 116.25 123.62 2dmi h VAL 37 Ca 0.08 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 2dmi h VAL 37 Cb 0.32 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2dmi h VAL 37 CO -0.51 0.02 -0.12 -0.74 0.02 0.00 0.00 177.57 176.24 2dmi h HIS 38 N 0.13 0.93 -0.60 1.57 -0.00 -0.59 0.37 115.15 116.97 2dmi h HIS 38 Ca 0.63 -0.21 0.08 0.00 -0.00 0.00 0.00 60.37 60.88 2dmi h HIS 38 Cb 1.39 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 28.51 2dmi h HIS 38 CO -0.26 0.95 0.26 0.52 -0.00 0.00 0.00 177.93 179.39 2dmi h MET 39 N 0.65 0.46 0.12 5.26 2.86 0.33 0.14 114.93 124.75 2dmi h MET 39 Ca 0.10 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 2dmi h MET 39 Cb 0.66 -0.10 0.02 0.00 0.06 0.00 0.00 31.60 32.23 2dmi h MET 39 CO 0.05 0.30 -0.70 -0.91 1.06 0.00 0.00 176.91 176.71 2dmi h ASN 40 N 0.47 0.40 -0.92 1.22 2.35 -1.19 1.43 115.58 119.34 2dmi h ASN 40 Ca 0.29 -0.96 0.15 0.00 -0.55 0.00 0.00 56.30 55.24 2dmi h ASN 40 Cb 0.31 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.47 2dmi h ASN 40 CO -0.26 1.34 0.59 -0.33 -1.65 0.00 0.00 177.43 177.12 2dmi h GLU 41 N -0.46 0.69 0.00 0.81 4.39 -0.04 -3.12 114.58 116.86 2dmi h GLU 41 Ca -0.12 -0.04 -0.37 0.00 0.34 0.00 0.00 59.36 59.17 2dmi h GLU 41 Cb 1.55 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.98 2dmi h GLU 41 CO 0.13 0.46 -2.34 0.25 -1.16 0.00 0.00 179.01 176.34 2dmi n THR 42 N -4.59 1.34 0.00 1.13 -2.24 0.47 -5.05 114.28 105.34 2dmi n THR 42 Ca 0.19 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2dmi n THR 42 Cb 0.49 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 2.13 2.89 3.09 3.38 0.00 0.48 -5.06 105.19 112.10 2dmi n GLY 43 Ca -0.43 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.97 -4.33 1.61 8.25 -0.65 -4.69 115.22 113.45 2dmi n HIS 44 Ca 0.00 0.40 -0.19 0.00 -0.26 0.00 0.00 57.72 57.67 2dmi n HIS 44 Cb 0.00 -1.46 -0.06 0.00 1.12 0.00 0.00 29.99 29.59 2dmi n HIS 44 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2dmi n TYR 45 N -3.58 -0.25 -0.72 4.41 4.01 -1.26 -4.24 117.16 115.53 2dmi n TYR 45 Ca -0.01 -2.24 -0.32 0.00 -0.16 0.00 0.00 57.90 55.17 2dmi n TYR 45 Cb 0.68 0.11 0.15 0.00 -0.31 0.00 0.00 39.34 39.97 2dmi n TYR 45 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2dmi n ARG 46 N -0.65 -0.62 -1.21 -0.72 3.00 -1.26 -4.64 116.66 110.55 2dmi n ARG 46 Ca 0.01 -0.13 -0.15 0.00 -0.00 0.00 0.00 57.85 57.57 2dmi n ARG 46 Cb 0.50 -2.04 0.14 0.00 0.00 0.00 0.00 32.46 31.06 2dmi n ARG 46 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2dmi n ASP 47 N -2.60 3.91 -4.87 6.15 5.75 -1.26 -4.83 116.55 118.81 2dmi n ASP 47 Ca 0.08 -3.78 -0.21 0.00 -0.01 0.00 0.00 54.79 50.86 2dmi n ASP 47 Cb 0.54 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.97 2dmi n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2dmi s ASP 48 N -2.67 5.50 0.44 -1.12 2.15 -1.26 -4.93 116.67 114.78 2dmi s ASP 48 Ca 0.50 -0.35 -0.15 0.00 0.43 0.00 0.00 52.55 52.98 2dmi s ASP 48 Cb 0.43 -1.19 -0.08 0.00 -0.30 0.00 0.00 42.92 41.78 2dmi s ASP 48 CO 0.01 -0.25 0.87 0.54 -0.17 0.00 0.00 175.17 176.17 2dmi s ASN 49 N -3.97 6.64 0.07 -0.34 4.22 -1.26 -5.06 114.94 115.24 2dmi s ASN 49 Ca 0.38 1.39 -0.11 0.00 -2.14 0.00 0.00 52.86 52.38 2dmi s ASN 49 Cb -0.07 -2.43 -0.06 0.00 1.28 0.00 0.00 41.25 39.97 2dmi s ASN 49 CO 0.27 -0.44 0.41 -1.00 -2.04 0.00 0.00 177.10 174.30 2dmi s HIS 50 N -2.40 3.61 0.48 1.54 3.76 -1.26 -5.10 115.29 115.92 2dmi s HIS 50 Ca 0.56 0.85 0.03 0.00 -0.15 0.00 0.00 55.06 56.35 2dmi s HIS 50 Cb -0.10 -2.20 0.02 0.00 1.11 0.00 0.00 32.58 31.41 2dmi s HIS 50 CO 0.27 0.54 0.67 -2.00 -0.85 0.00 0.00 174.74 173.37 2dmi s GLU 51 N -1.76 2.77 1.13 1.40 2.12 -1.26 -5.10 118.70 118.00 2dmi s GLU 51 Ca 0.32 -0.87 -0.17 0.00 0.36 0.00 0.00 54.97 54.60 2dmi s GLU 51 Cb -0.14 -2.61 0.25 0.00 0.26 0.00 0.00 34.13 31.89 2dmi s GLU 51 CO 0.17 -0.44 1.11 0.95 -0.54 0.00 0.00 175.26 176.51 2dmi s THR 52 N -2.56 1.75 0.09 -1.70 -4.23 -1.26 -4.88 115.64 102.85 2dmi s THR 52 Ca 0.54 0.00 -0.32 0.00 -1.18 0.00 0.00 61.69 60.73 2dmi s THR 52 Cb -0.10 -2.50 -0.17 0.00 1.34 0.00 0.00 72.50 71.07 2dmi s THR 52 CO 0.36 0.00 0.75 -0.67 -0.54 0.00 0.00 174.62 174.52 2dmi n ASP 53 N -4.55 -0.58 -0.21 3.99 -0.08 -1.26 -4.80 116.55 109.05 2dmi n ASP 53 Ca 0.10 1.08 0.02 0.00 -1.51 0.00 0.00 54.79 54.48 2dmi n ASP 53 Cb 0.59 -0.88 0.12 0.00 2.34 0.00 0.00 41.12 43.29 2dmi n ASP 53 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2dmi h ASN 54 N 1.89 -0.18 -0.26 1.67 7.08 -2.06 -3.38 115.58 120.34 2dmi h ASN 54 Ca -0.37 0.15 -0.30 0.00 -3.08 0.00 0.00 56.30 52.70 2dmi h ASN 54 Cb 1.35 0.24 -0.07 0.00 -2.08 0.00 0.00 38.32 37.76 2dmi h ASN 54 CO 0.57 -0.09 1.40 -3.20 -2.08 0.00 0.00 177.43 174.04 2dmi n ASN 55 N -5.24 0.13 -4.29 6.14 2.85 -1.26 -4.85 115.26 108.74 2dmi n ASN 55 Ca 0.10 -0.67 -0.16 0.00 -0.11 0.00 0.00 54.58 53.74 2dmi n ASN 55 Cb 0.38 -1.02 -0.10 0.00 1.24 0.00 0.00 39.78 40.28 2dmi n ASN 55 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2dmi s ASN 56 N 5.87 2.12 0.00 1.20 0.02 -1.26 -5.01 114.94 117.88 2dmi s ASN 56 Ca 1.19 -1.01 0.00 0.00 -1.02 0.00 0.00 52.86 52.01 2dmi s ASN 56 Cb -0.66 -0.06 0.00 0.00 0.02 0.00 0.00 41.25 40.55 2dmi s ASN 56 CO 0.39 -0.26 0.47 -0.81 0.02 0.00 0.00 177.10 176.91 2dmi n PRO 57 N -0.26 0.48 -0.36 -0.60 -0.04 -1.26 -4.87 135.00 128.08 2dmi n PRO 57 Ca -0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 2dmi n PRO 57 Cb 0.60 -1.01 -0.04 0.00 -0.04 0.00 0.00 33.50 33.02 2dmi n PRO 57 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2dmi n LYS 58 N -0.46 0.00 -0.57 0.54 4.81 -1.26 -4.79 118.16 116.43 2dmi n LYS 58 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 2dmi n LYS 58 Cb 0.01 -0.38 0.18 0.00 0.02 0.00 0.00 35.03 34.86 2dmi n LYS 58 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2dmi n ARG 59 N 2.08 -2.23 -0.91 1.64 3.00 -1.26 -4.60 116.66 114.38 2dmi n ARG 59 Ca 0.16 -0.65 -0.37 0.00 -0.00 0.00 0.00 57.85 56.99 2dmi n ARG 59 Cb 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 32.46 30.74 2dmi n ARG 59 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 2dmi n TRP 60 N -4.61 0.90 -3.61 -0.14 -0.00 -1.26 -4.91 117.44 103.81 2dmi n TRP 60 Ca 0.04 0.59 -0.09 0.00 -0.00 0.00 0.00 57.50 58.04 2dmi n TRP 60 Cb 0.53 -1.24 -0.10 0.00 -0.00 0.00 0.00 31.31 30.50 2dmi n TRP 60 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2dmi s SER 61 N 2.02 -0.10 -0.22 5.87 0.15 -1.26 -5.15 113.70 115.01 2dmi s SER 61 Ca 0.60 0.82 -0.32 0.00 0.70 0.00 0.00 55.95 57.74 2dmi s SER 61 Cb -0.83 1.23 0.16 0.00 -1.71 0.00 0.00 66.02 64.87 2dmi s SER 61 CO 0.44 -0.24 1.24 -1.59 1.20 0.00 0.00 173.24 174.28 2dmi s LYS 62 N 2.58 0.25 0.92 5.44 0.00 -1.26 -5.17 119.74 122.49 2dmi s LYS 62 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 55.97 55.85 2dmi s LYS 62 Cb -0.13 0.12 0.14 0.00 0.00 0.00 0.00 37.83 37.96 2dmi s LYS 62 CO -0.13 -0.09 1.09 -1.25 0.00 0.00 0.00 175.35 174.97 2dmi s PRO 63 N -1.67 1.08 1.33 1.78 0.04 -1.26 -5.04 135.00 131.26 2dmi s PRO 63 Ca 0.07 0.76 -0.22 0.00 0.04 0.00 0.00 61.00 61.66 2dmi s PRO 63 Cb -0.01 -1.79 0.34 0.00 0.04 0.00 0.00 34.50 33.07 2dmi s PRO 63 CO -0.05 -2.35 1.01 -0.98 0.04 0.00 0.00 177.00 174.68 2dmi s ARG 64 N -4.94 -2.26 1.01 4.56 1.70 -1.26 -4.94 118.95 112.81 2dmi s ARG 64 Ca 0.64 0.02 -0.21 0.00 -0.47 0.00 0.00 55.73 55.71 2dmi s ARG 64 Cb -0.18 -1.47 -0.13 0.00 -0.57 0.00 0.00 34.95 32.60 2dmi s ARG 64 CO 0.57 -4.41 -0.91 1.63 -1.08 0.00 0.00 175.30 171.10 2dmi n LYS 65 N -5.28 -0.16 -0.87 3.89 4.76 -1.26 -4.83 118.16 114.41 2dmi n LYS 65 Ca 0.13 -0.04 -0.35 0.00 -2.87 0.00 0.00 58.31 55.19 2dmi n LYS 65 Cb 0.60 -1.14 0.09 0.00 -1.84 0.00 0.00 35.03 32.74 2dmi n LYS 65 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2dmi n ARG 66 N 1.74 -0.36 -2.31 1.97 1.85 -1.26 -4.98 116.66 113.32 2dmi n ARG 66 Ca -0.01 -0.09 -0.26 0.00 -1.00 0.00 0.00 57.85 56.50 2dmi n ARG 66 Cb 0.64 -1.43 0.11 0.00 -1.05 0.00 0.00 32.46 30.73 2dmi n ARG 66 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2dmi s SER 67 N -1.51 4.24 -0.57 2.89 0.01 -1.26 -5.06 113.70 112.44 2dmi s SER 67 Ca 0.48 0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.87 2dmi s SER 67 Cb -0.14 -0.48 0.20 0.00 0.21 0.00 0.00 66.02 65.80 2dmi s SER 67 CO 0.72 -1.95 0.51 -0.11 0.41 0.00 0.00 173.24 172.82 2dmi n LEU 68 N -3.06 1.84 -3.32 2.44 0.00 -1.26 -5.10 117.00 108.54 2dmi n LEU 68 Ca 0.12 -4.96 -0.35 0.00 0.00 0.00 0.00 56.01 50.82 2dmi n LEU 68 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 43.42 43.81 2dmi n LEU 68 CO 0.46 1.89 -0.08 0.18 0.00 0.00 0.00 177.39 179.85 2dmi n LEU 69 N 1.89 -1.21 -3.92 -1.96 7.99 -1.26 -4.92 117.00 113.61 2dmi n LEU 69 Ca 0.25 0.80 -0.30 0.00 -0.01 0.00 0.00 56.01 56.75 2dmi n LEU 69 Cb 0.42 -0.71 -0.14 0.00 -0.11 0.00 0.00 43.42 42.88 2dmi n LEU 69 CO 0.23 -2.46 -0.24 -1.61 -1.51 0.00 0.00 177.39 171.80 2dmi s GLU 70 N -0.76 1.64 0.18 3.23 8.01 -1.26 -5.09 118.70 124.66 2dmi s GLU 70 Ca 0.48 -2.21 -0.19 0.00 0.01 0.00 0.00 54.97 53.05 2dmi s GLU 70 Cb -0.66 -3.04 -0.12 0.00 -4.31 0.00 0.00 34.13 26.00 2dmi s GLU 70 CO 0.44 -1.06 0.30 -1.33 0.01 0.00 0.00 175.26 173.61 2dmi n MET 71 N 3.61 0.00 0.00 1.61 2.81 -1.26 -4.94 117.12 118.95 2dmi n MET 71 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2dmi n MET 71 Cb 0.36 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 2dmi n MET 71 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2dmi n GLU 72 N 0.80 0.00 -3.61 0.03 4.71 -1.26 -5.06 120.64 116.25 2dmi n GLU 72 Ca 0.12 0.06 -0.01 0.00 -0.01 0.00 0.00 57.16 57.32 2dmi n GLU 72 Cb 0.21 -0.34 -0.04 0.00 -1.01 0.00 0.00 31.44 30.26 2dmi n GLU 72 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2dmi s GLY 73 N -1.54 -0.61 -0.63 0.62 0.00 -1.26 -4.97 107.32 98.93 2dmi s GLY 73 Ca 0.00 2.49 -0.05 0.00 0.00 0.00 0.00 44.72 47.16 2dmi s GLY 73 CO 0.00 3.04 0.10 0.28 0.00 0.00 0.00 173.10 176.52 2dmi n LYS 74 N 5.24 -0.87 -1.04 2.90 4.76 -1.26 -4.73 118.16 123.16 2dmi n LYS 74 Ca -0.12 -0.07 -0.23 0.00 -2.87 0.00 0.00 58.31 55.02 2dmi n LYS 74 Cb 0.51 -1.22 0.07 0.00 -1.84 0.00 0.00 35.03 32.54 2dmi n LYS 74 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2dmi n GLU 75 N -2.64 2.13 -3.74 1.97 0.28 -1.26 -4.93 120.64 112.46 2dmi n GLU 75 Ca -0.11 -2.29 -0.25 0.00 -0.16 0.00 0.00 57.16 54.35 2dmi n GLU 75 Cb 0.29 -1.90 -0.00 0.00 1.43 0.00 0.00 31.44 31.26 2dmi n GLU 75 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2dmi s ASP 76 N -0.69 4.74 -0.57 -1.84 2.15 -1.26 -4.76 116.67 114.43 2dmi s ASP 76 Ca 0.45 -1.12 -0.02 0.00 0.43 0.00 0.00 52.55 52.28 2dmi s ASP 76 Cb 0.36 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 43.22 2dmi s ASP 76 CO 0.01 -1.06 0.49 0.00 -0.17 0.00 0.00 175.17 174.44 2dmi n ALA 77 N -1.78 -0.71 -1.71 3.66 0.00 -1.26 -4.96 120.51 113.75 2dmi n ALA 77 Ca 0.01 0.10 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 2dmi n ALA 77 Cb 0.64 -2.16 0.05 0.00 0.00 0.00 0.00 19.45 17.97 2dmi n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dmi n GLN 78 N -2.45 3.19 -0.02 0.00 1.13 -1.26 -4.53 117.38 113.43 2dmi n GLN 78 Ca -0.05 -3.77 -0.03 0.00 -1.94 0.00 0.00 57.00 51.20 2dmi n GLN 78 Cb 0.55 -2.28 -0.02 0.00 0.11 0.00 0.00 30.24 28.59 2dmi n GLN 78 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2dmi n LYS 79 N -0.80 0.12 -4.23 -1.09 3.00 -1.26 -5.06 118.16 108.84 2dmi n LYS 79 Ca 0.53 0.03 -0.17 0.00 -0.00 0.00 0.00 58.31 58.70 2dmi n LYS 79 Cb 0.82 -1.08 -0.13 0.00 0.00 0.00 0.00 35.03 34.64 2dmi n LYS 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dmi s VAL 80 N -2.10 0.75 -0.44 3.15 0.11 -1.26 -5.07 120.40 115.54 2dmi s VAL 80 Ca -0.07 -0.79 -0.35 0.00 -2.93 0.00 0.00 61.98 57.84 2dmi s VAL 80 Cb 0.02 -0.70 -0.16 0.00 -1.53 0.00 0.00 36.38 34.01 2dmi s VAL 80 CO 0.11 -0.07 1.78 0.18 -3.33 0.00 0.00 175.10 173.78 2dmi n LEU 81 N 2.10 0.58 -4.00 2.54 4.77 -1.26 -4.80 117.00 116.93 2dmi n LEU 81 Ca -0.18 0.52 -0.18 0.00 -0.03 0.00 0.00 56.01 56.15 2dmi n LEU 81 Cb 0.56 -0.74 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 2dmi n LEU 81 CO 0.23 -0.63 -0.42 -0.75 -1.33 0.00 0.00 177.39 174.49 2dmi s LYS 82 N 5.09 0.62 -0.49 3.23 2.47 -1.26 -0.72 119.74 128.68 2dmi s LYS 82 Ca 0.99 -0.27 -0.21 0.00 -1.56 0.00 0.00 55.97 54.92 2dmi s LYS 82 Cb -1.21 -0.60 0.04 0.00 -1.46 0.00 0.00 37.83 34.60 2dmi s LYS 82 CO 0.53 0.16 0.73 0.00 0.16 0.00 0.00 175.35 176.93 2dmi h MET 84 N 9.04 0.52 0.00 0.00 4.05 -1.96 2.11 114.93 128.69 2dmi h MET 84 Ca -0.26 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2dmi h MET 84 Cb 1.09 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 2dmi h MET 84 CO 0.97 0.35 0.00 0.98 0.23 0.00 0.00 176.91 179.44 2dmi n TYR 85 N -4.92 0.00 -0.11 1.39 4.19 -1.26 -3.90 117.16 112.55 2dmi n TYR 85 Ca 0.12 0.00 -0.24 0.00 3.31 0.00 0.00 57.90 61.09 2dmi n TYR 85 Cb 0.32 -0.45 -0.11 0.00 0.49 0.00 0.00 39.34 39.59 2dmi n TYR 85 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2dmi n GLY 87 N 1.44 0.75 3.09 0.00 0.00 0.71 -5.04 105.19 106.14 2dmi n GLY 87 Ca -0.40 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.39 2.78 0.13 1.61 3.76 -1.24 -4.86 115.29 116.08 2dmi s HIS 88 Ca 0.00 -1.74 -0.30 0.00 -0.15 0.00 0.00 55.06 52.87 2dmi s HIS 88 Cb 0.00 -1.86 -0.07 0.00 1.11 0.00 0.00 32.58 31.76 2dmi s HIS 88 CO 0.00 -0.80 1.22 -1.54 -0.85 0.00 0.00 174.74 172.77 2dmi s SER 89 N 1.28 7.05 0.30 1.40 1.04 -1.26 -3.23 113.70 120.28 2dmi s SER 89 Ca 0.02 2.17 0.01 0.00 0.48 0.00 0.00 55.95 58.63 2dmi s SER 89 Cb -0.15 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.39 2dmi s SER 89 CO -0.11 -0.44 0.12 0.49 0.98 0.00 0.00 173.24 174.28 2dmi n PHE 90 N 3.18 -0.16 0.00 5.02 3.72 0.10 -5.01 117.46 124.31 2dmi n PHE 90 Ca 0.07 -1.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.08 2dmi n PHE 90 Cb 0.45 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2dmi n PHE 90 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2dmi n GLU 91 N -0.99 0.00 -4.31 -1.08 1.02 -1.26 -4.53 120.64 109.49 2dmi n GLU 91 Ca -0.07 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.80 2dmi n GLU 91 Cb 0.36 -0.82 -0.10 0.00 -0.02 0.00 0.00 31.44 30.86 2dmi n GLU 91 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2dmi s SER 92 N -4.29 4.10 0.08 1.62 0.01 -1.26 -4.98 113.70 108.98 2dmi s SER 92 Ca 0.00 -0.62 -0.31 0.00 1.31 0.00 0.00 55.95 56.33 2dmi s SER 92 Cb 0.00 -0.64 -0.17 0.00 0.21 0.00 0.00 66.02 65.43 2dmi s SER 92 CO 0.00 0.11 1.65 -0.07 0.41 0.00 0.00 173.24 175.34 2dmi h LEU 93 N 3.01 -0.65 -0.80 2.44 3.38 -2.00 -2.83 115.31 117.86 2dmi h LEU 93 Ca -0.47 0.03 0.19 0.00 0.09 0.00 0.00 57.88 57.72 2dmi h LEU 93 Cb 1.20 0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.98 2dmi h LEU 93 CO 0.53 -0.43 -0.09 1.67 0.09 0.00 0.00 178.44 180.20 2dmi n GLN 94 N -5.40 -0.07 0.14 1.13 -0.06 -1.26 0.78 117.38 112.64 2dmi n GLN 94 Ca -0.12 1.22 -0.13 0.00 -2.00 0.00 0.00 57.00 55.98 2dmi n GLN 94 Cb 0.30 -1.89 -0.06 0.00 -4.06 0.00 0.00 30.24 24.53 2dmi n GLN 94 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2dmi h ASP 95 N 0.00 -0.53 -0.00 1.69 5.19 -1.93 0.73 116.42 121.57 2dmi h ASP 95 Ca 0.43 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.90 2dmi h ASP 95 Cb 0.79 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 2dmi h ASP 95 CO -0.79 -0.29 -0.03 0.25 -3.12 0.00 0.00 179.24 175.26 2dmi h LEU 96 N -0.42 -0.09 -0.10 1.55 7.12 0.44 0.14 115.31 123.94 2dmi h LEU 96 Ca 0.00 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.07 2dmi h LEU 96 Cb 0.40 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 40.52 2dmi h LEU 96 CO -0.05 -0.05 -0.18 0.28 -0.13 0.00 0.00 178.44 178.30 2dmi h SER 97 N -0.06 -0.57 0.06 1.25 0.02 -0.46 -1.89 113.55 111.91 2dmi h SER 97 Ca 0.01 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2dmi h SER 97 Cb 0.08 0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2dmi h SER 97 CO -0.04 -0.24 -0.03 0.58 -1.14 0.00 0.00 176.83 175.97 2dmi h VAL 98 N -0.25 0.00 -0.66 2.27 2.07 -0.69 -3.01 116.25 115.98 2dmi h VAL 98 Ca 0.09 -0.01 0.27 0.00 0.82 0.00 0.00 66.70 67.87 2dmi h VAL 98 Cb 0.38 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.03 2dmi h VAL 98 CO -0.25 0.00 0.33 1.57 0.02 0.00 0.00 177.57 179.24 2dmi n HIS 99 N -2.25 0.75 0.08 1.57 -0.00 0.48 -0.24 115.22 115.60 2dmi n HIS 99 Ca -0.01 0.78 -0.03 0.00 -0.00 0.00 0.00 57.72 58.46 2dmi n HIS 99 Cb 0.03 -1.20 -0.02 0.00 -0.00 0.00 0.00 29.99 28.81 2dmi n HIS 99 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2dmi h MET 100 N 0.00 -0.20 -0.99 1.57 2.86 -1.23 -1.50 114.93 115.44 2dmi h MET 100 Ca 0.55 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 58.28 2dmi h MET 100 Cb 1.44 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 33.07 2dmi h MET 100 CO -0.52 -0.13 0.63 0.82 1.06 0.00 0.00 176.91 178.77 2dmi h ILE 101 N -0.21 1.04 -0.95 -1.22 5.03 -0.49 1.84 117.51 122.56 2dmi h ILE 101 Ca -0.02 -0.38 0.14 0.00 -0.12 0.00 0.00 64.86 64.49 2dmi h ILE 101 Cb 0.16 -0.16 -0.08 0.00 -3.03 0.00 0.00 36.82 33.71 2dmi h ILE 101 CO 0.02 0.20 0.60 0.11 -0.68 0.00 0.00 178.15 178.40 2dmi h LYS 102 N 1.10 0.77 -0.19 2.37 1.57 -0.55 -1.61 116.57 120.03 2dmi h LYS 102 Ca 0.44 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2dmi h LYS 102 Cb 0.25 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2dmi h LYS 102 CO -0.20 0.51 0.00 0.25 -0.57 0.00 0.00 179.45 179.44 2dmi n THR 103 N -4.61 1.18 -3.61 -0.16 -2.24 -0.50 -4.97 114.28 99.37 2dmi n THR 103 Ca 0.19 -1.17 -0.26 0.00 -2.27 0.00 0.00 64.05 60.54 2dmi n THR 103 Cb 0.45 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.07 -3.18 0.25 -0.78 4.01 0.60 -4.80 118.16 114.19 2dmi n LYS 104 Ca 0.09 0.40 0.15 0.00 -0.51 0.00 0.00 58.31 58.44 2dmi n LYS 104 Cb 0.42 -5.10 0.47 0.00 -0.51 0.00 0.00 35.03 30.31 2dmi n LYS 104 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2dmi h HIS 105 N -1.05 0.00 0.00 2.13 3.86 -1.15 -2.87 115.15 116.07 2dmi h HIS 105 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2dmi h HIS 105 Cb 1.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.77 2dmi h HIS 105 CO 0.68 0.00 0.00 2.48 0.86 0.00 0.00 177.93 181.95 2dmi n TYR 106 N -3.06 0.00 -4.21 2.45 4.11 -1.26 -4.75 117.16 110.44 2dmi n TYR 106 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.82 2dmi n TYR 106 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.72 2dmi n TYR 106 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 2dmi n GLN 107 N -0.74 1.61 -1.99 -3.48 1.13 -1.08 -4.77 117.38 108.05 2dmi n GLN 107 Ca 0.09 -1.12 -0.17 0.00 -1.94 0.00 0.00 57.00 53.87 2dmi n GLN 107 Cb 0.04 0.29 -0.03 0.00 0.11 0.00 0.00 30.24 30.65 2dmi n GLN 107 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2dmi n LYS 108 N -0.40 -1.27 -3.53 -1.09 4.76 -1.26 -4.99 118.16 110.38 2dmi n LYS 108 Ca -0.06 0.92 -0.21 0.00 -2.87 0.00 0.00 58.31 56.08 2dmi n LYS 108 Cb 0.19 -5.26 -0.02 0.00 -1.84 0.00 0.00 35.03 28.10 2dmi n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2dmi s VAL 109 N -2.75 2.53 -0.64 -0.18 -7.23 -1.26 -5.07 120.40 105.81 2dmi s VAL 109 Ca 0.00 -1.32 -0.23 0.00 -1.81 0.00 0.00 61.98 58.62 2dmi s VAL 109 Cb 0.00 -2.85 0.06 0.00 0.56 0.00 0.00 36.38 34.15 2dmi s VAL 109 CO 0.00 0.00 0.98 -0.94 -0.31 0.00 0.00 175.10 174.83 2dmi s SER 110 N -4.20 6.21 -0.30 4.85 1.04 -1.26 -4.94 113.70 115.10 2dmi s SER 110 Ca 0.48 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 56.04 2dmi s SER 110 Cb -0.04 -2.43 0.18 0.00 0.10 0.00 0.00 66.02 63.83 2dmi s SER 110 CO 0.28 -1.42 0.77 -0.83 0.98 0.00 0.00 173.24 173.02 2dmi s GLY 111 N 3.49 -0.71 0.98 7.32 0.00 -1.26 -5.17 107.32 111.97 2dmi s GLY 111 Ca 0.25 2.27 -0.17 0.00 0.00 0.00 0.00 44.72 47.07 2dmi s GLY 111 CO 0.13 3.48 0.87 -1.55 0.00 0.00 0.00 173.10 176.03 2dmi n PRO 112 N 5.41 -2.71 -3.61 2.90 -0.04 -1.26 -5.10 135.00 130.59 2dmi n PRO 112 Ca -0.04 -1.40 -0.11 0.00 -0.04 0.00 0.00 63.50 61.91 2dmi n PRO 112 Cb 0.52 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 2dmi n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmi s SER 113 N -3.87 -0.30 0.06 3.54 0.01 -1.26 -5.18 113.70 106.70 2dmi s SER 113 Ca 0.57 -0.19 -0.28 0.00 1.31 0.00 0.00 55.95 57.36 2dmi s SER 113 Cb -0.06 0.48 0.09 0.00 0.21 0.00 0.00 66.02 66.75 2dmi s SER 113 CO 0.44 -0.83 1.09 -0.94 0.41 0.00 0.00 173.24 173.41 2dmi s SER 114 N -2.61 -0.14 0.00 2.44 1.04 -1.26 -5.37 113.70 107.79 2dmi s SER 114 Ca 0.01 -0.26 0.20 0.00 0.48 0.00 0.00 55.95 56.39 2dmi s SER 114 Cb 0.01 0.34 1.21 0.00 0.10 0.00 0.00 66.02 67.68 2dmi s SER 114 CO -0.10 -0.62 1.60 0.61 0.98 0.00 0.00 173.24 175.71