#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmi h SER 2 N 0.00 0.25 -3.50 1.61 4.64 -2.15 -3.47 113.55 110.93 2dmi h SER 2 Ca 0.00 -0.60 0.02 0.00 -0.47 0.00 0.00 61.79 60.74 2dmi h SER 2 Cb 0.00 -0.07 -0.24 0.00 -0.31 0.00 0.00 62.40 61.78 2dmi h SER 2 CO 0.00 0.81 0.31 -0.55 -0.87 0.00 0.00 176.83 176.53 2dmi s SER 3 N -6.12 -0.58 0.80 4.97 0.15 -1.26 -5.18 113.70 106.48 2dmi s SER 3 Ca -0.15 1.12 -0.05 0.00 0.70 0.00 0.00 55.95 57.56 2dmi s SER 3 Cb 0.03 1.14 0.15 0.00 -1.71 0.00 0.00 66.02 65.63 2dmi s SER 3 CO 0.73 -0.19 1.10 -0.83 1.20 0.00 0.00 173.24 175.25 2dmi s GLY 4 N 0.35 1.77 -0.29 9.45 0.00 -1.26 -5.12 107.32 112.22 2dmi s GLY 4 Ca 0.01 -1.61 -0.16 0.00 0.00 0.00 0.00 44.72 42.96 2dmi s GLY 4 CO -0.04 -0.97 0.86 -1.35 0.00 0.00 0.00 173.10 171.61 2dmi s SER 5 N -4.80 -0.69 0.13 1.64 1.04 -1.26 -5.18 113.70 104.58 2dmi s SER 5 Ca 0.69 1.10 -0.25 0.00 0.48 0.00 0.00 55.95 57.96 2dmi s SER 5 Cb -0.04 1.29 0.07 0.00 0.10 0.00 0.00 66.02 67.44 2dmi s SER 5 CO 0.47 -0.17 0.91 -0.55 0.98 0.00 0.00 173.24 174.88 2dmi s SER 6 N 1.49 -0.24 0.00 7.02 0.15 -1.26 -5.18 113.70 115.67 2dmi s SER 6 Ca -0.09 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dmi s SER 6 Cb -0.04 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2dmi s SER 6 CO -0.17 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.00 2dmi n GLY 7 N -0.42 2.38 3.53 9.45 0.00 -1.26 -5.11 105.19 113.77 2dmi n GLY 7 Ca -0.07 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2dmi n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmi s LYS 8 N -0.68 3.38 -0.18 1.61 3.01 -1.26 -5.01 119.74 120.61 2dmi s LYS 8 Ca 0.00 -0.15 -0.25 0.00 -1.01 0.00 0.00 55.97 54.56 2dmi s LYS 8 Cb 0.00 -4.03 -0.02 0.00 -1.01 0.00 0.00 37.83 32.78 2dmi s LYS 8 CO 0.00 -1.46 0.81 -0.51 0.51 0.00 0.00 175.35 174.69 2dmi s LEU 9 N 4.01 4.16 0.37 3.17 1.43 -1.26 -5.05 118.68 125.51 2dmi s LEU 9 Ca 0.33 1.12 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 2dmi s LEU 9 Cb -0.12 -3.19 -0.05 0.00 0.03 0.00 0.00 46.19 42.87 2dmi s LEU 9 CO 0.21 -0.39 0.10 -0.31 0.23 0.00 0.00 176.35 176.19 2dmi s TYR 10 N 2.17 2.60 0.00 0.29 1.51 -1.26 -5.06 117.35 117.60 2dmi s TYR 10 Ca 0.37 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 2dmi s TYR 10 Cb -0.16 -1.71 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 2dmi s TYR 10 CO 0.12 0.34 0.00 0.41 -1.11 0.00 0.00 175.55 175.30 2dmi n GLY 11 N -1.10 -0.43 3.34 0.71 0.00 -1.26 -5.09 105.19 101.35 2dmi n GLY 11 Ca -0.03 0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 2dmi n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmi s SER 12 N 0.00 7.07 -0.12 1.61 0.01 -1.26 -5.03 113.70 115.97 2dmi s SER 12 Ca 0.00 -3.17 -0.08 0.00 1.31 0.00 0.00 55.95 54.01 2dmi s SER 12 Cb 0.00 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 2dmi s SER 12 CO 0.00 -0.43 0.16 0.27 0.41 0.00 0.00 173.24 173.64 2dmi s ILE 13 N -0.53 5.47 -0.08 1.44 -4.36 -1.26 -5.10 121.20 116.79 2dmi s ILE 13 Ca 0.25 0.25 -0.05 0.00 -0.26 0.00 0.00 60.65 60.84 2dmi s ILE 13 Cb -0.10 -3.43 0.04 0.00 1.25 0.00 0.00 42.46 40.22 2dmi s ILE 13 CO -0.08 0.60 0.20 -0.36 0.24 0.00 0.00 174.94 175.53 2dmi s PHE 14 N -0.86 -0.25 -0.25 1.37 0.08 -1.26 -5.15 117.98 111.66 2dmi s PHE 14 Ca 0.15 0.62 -0.27 0.00 0.12 0.00 0.00 56.93 57.55 2dmi s PHE 14 Cb -0.12 0.01 0.14 0.00 -0.57 0.00 0.00 43.02 42.48 2dmi s PHE 14 CO 0.04 -0.18 1.12 -0.08 -0.10 0.00 0.00 175.22 176.02 2dmi s THR 15 N 0.91 0.00 0.05 0.64 -1.32 -1.26 -5.17 115.64 109.48 2dmi s THR 15 Ca -0.07 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.47 2dmi s THR 15 Cb -0.08 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.87 2dmi s THR 15 CO -0.05 0.00 -0.12 -0.83 -2.21 0.00 0.00 174.62 171.40 2dmi s GLY 16 N -0.28 1.69 0.83 6.08 0.00 -1.26 -5.13 107.32 109.26 2dmi s GLY 16 Ca 0.03 -1.16 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 2dmi s GLY 16 CO -0.06 -1.06 1.12 0.00 0.00 0.00 0.00 173.10 173.10 2dmi s ALA 17 N -1.03 2.18 -0.13 3.20 0.00 -1.26 -5.09 121.76 119.63 2dmi s ALA 17 Ca 0.17 -0.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 2dmi s ALA 17 Cb -0.11 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.00 2dmi s ALA 17 CO 0.08 -1.86 0.34 -1.54 0.00 0.00 0.00 175.76 172.78 2dmi s SER 18 N -4.06 -0.38 -0.16 0.00 1.04 -1.26 -4.83 113.70 104.05 2dmi s SER 18 Ca 0.62 0.71 -0.12 0.00 0.48 0.00 0.00 55.95 57.63 2dmi s SER 18 Cb -0.14 0.65 -0.07 0.00 0.10 0.00 0.00 66.02 66.56 2dmi s SER 18 CO 0.53 -0.15 -0.11 0.29 0.98 0.00 0.00 173.24 174.78 2dmi n LYS 19 N 3.63 0.48 -3.98 4.02 4.01 -1.15 -4.95 118.16 120.23 2dmi n LYS 19 Ca -0.19 0.52 -0.34 0.00 -0.51 0.00 0.00 58.31 57.79 2dmi n LYS 19 Cb 0.56 -1.69 -0.06 0.00 -0.51 0.00 0.00 35.03 33.33 2dmi n LYS 19 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2dmi s PHE 20 N -2.30 3.47 0.48 2.13 0.40 -0.96 -4.99 117.98 116.20 2dmi s PHE 20 Ca -0.19 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 2dmi s PHE 20 Cb 0.03 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2dmi s PHE 20 CO 0.31 0.63 0.06 1.03 0.70 0.00 0.00 175.22 177.95 2dmi s ARG 21 N -1.69 2.12 -0.45 0.44 0.52 -1.26 -0.61 118.95 118.02 2dmi s ARG 21 Ca 0.23 -2.34 0.04 0.00 -0.52 0.00 0.00 55.73 53.14 2dmi s ARG 21 Cb -0.12 -1.13 0.12 0.00 0.52 0.00 0.00 34.95 34.34 2dmi s ARG 21 CO 0.14 -0.44 0.19 0.00 0.02 0.00 0.00 175.30 175.21 2dmi n LYS 23 N 3.57 0.01 0.00 0.00 4.81 -1.25 -1.51 118.16 123.79 2dmi n LYS 23 Ca 0.05 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 2dmi n LYS 23 Cb 0.36 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.11 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 -3.30 0.00 -4.93 3.14 9.92 -1.26 -4.94 116.55 115.18 2dmi n ASP 24 Ca 0.28 0.25 -0.26 0.00 -0.53 0.00 0.00 54.79 54.53 2dmi n ASP 24 Cb 1.55 -0.23 -0.02 0.00 -0.64 0.00 0.00 41.12 41.78 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 -1.45 5.48 -4.26 0.00 7.64 -1.26 -3.93 113.62 115.84 2dmi n SER 26 Ca -0.03 -2.50 -0.34 0.00 1.01 0.00 0.00 58.87 57.00 2dmi n SER 26 Cb 0.55 -1.11 -0.15 0.00 -1.01 0.00 0.00 64.21 62.50 2dmi n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmi s ALA 27 N -0.28 2.68 0.36 -0.43 0.00 -1.26 -5.00 121.76 117.82 2dmi s ALA 27 Ca 0.05 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 50.90 2dmi s ALA 27 Cb 0.04 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2dmi s ALA 27 CO -0.00 -0.40 0.34 0.00 0.00 0.00 0.00 175.76 175.69 2dmi s ALA 28 N 1.41 3.95 0.04 0.00 0.00 -1.26 -2.99 121.76 122.91 2dmi s ALA 28 Ca 0.05 -1.69 -0.00 0.00 0.00 0.00 0.00 51.96 50.32 2dmi s ALA 28 Cb -0.14 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 2dmi s ALA 28 CO -0.06 -0.06 -0.04 0.71 0.00 0.00 0.00 175.76 176.32 2dmi s TYR 29 N -2.34 0.46 0.08 0.00 1.51 0.22 -4.99 117.35 112.30 2dmi s TYR 29 Ca 0.43 -0.83 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 2dmi s TYR 29 Cb -0.06 -0.33 -0.13 0.00 -0.11 0.00 0.00 41.96 41.33 2dmi s TYR 29 CO 0.27 -0.27 1.33 0.38 -1.11 0.00 0.00 175.55 176.15 2dmi h ASP 30 N 3.77 0.73 -4.05 2.29 3.04 -1.88 -2.51 116.42 117.81 2dmi h ASP 30 Ca -0.33 -0.56 -0.69 0.00 -3.24 0.00 0.00 57.03 52.21 2dmi h ASP 30 Cb 1.17 -0.21 -0.23 0.00 -1.04 0.00 0.00 39.33 39.02 2dmi h ASP 30 CO 0.55 1.16 -0.84 0.42 -2.04 0.00 0.00 179.24 178.50 2dmi s THR 31 N -4.00 2.53 0.03 1.15 -4.23 -1.26 -4.45 115.64 105.41 2dmi s THR 31 Ca -0.12 -1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 58.82 2dmi s THR 31 Cb 0.07 -2.05 -0.15 0.00 1.34 0.00 0.00 72.50 71.71 2dmi s THR 31 CO 0.84 0.30 1.41 0.25 -0.54 0.00 0.00 174.62 176.88 2dmi h LEU 32 N 4.49 0.18 -1.58 4.79 5.85 -1.96 -2.66 115.31 124.42 2dmi h LEU 32 Ca -0.48 -0.38 0.39 0.00 0.84 0.00 0.00 57.88 58.25 2dmi h LEU 32 Cb 1.15 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 2dmi h LEU 32 CO 0.45 0.52 0.87 1.62 -0.34 0.00 0.00 178.44 181.56 2dmi h VAL 33 N -0.15 0.27 0.17 1.05 3.04 -2.00 0.46 116.25 119.10 2dmi h VAL 33 Ca 0.02 -0.05 -0.25 0.00 -1.01 0.00 0.00 66.70 65.42 2dmi h VAL 33 Cb 0.44 0.12 0.03 0.00 -2.01 0.00 0.00 31.29 29.86 2dmi h VAL 33 CO 0.01 0.03 -1.08 -0.33 -1.01 0.00 0.00 177.57 175.19 2dmi h GLU 34 N 0.14 0.43 0.22 4.17 4.39 -1.96 -3.32 114.58 118.65 2dmi h GLU 34 Ca 0.72 -0.69 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2dmi h GLU 34 Cb 2.36 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 31.26 2dmi h GLU 34 CO -0.26 1.32 -0.10 1.25 -1.16 0.00 0.00 179.01 180.06 2dmi h LEU 35 N -0.11 -0.25 -0.96 1.33 5.85 0.08 -3.22 115.31 118.03 2dmi h LEU 35 Ca -0.18 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.52 2dmi h LEU 35 Cb 1.83 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.81 2dmi h LEU 35 CO 0.20 -0.04 -0.57 0.71 -0.34 0.00 0.00 178.44 178.40 2dmi h THR 36 N -0.44 0.00 -0.87 1.05 1.35 -0.65 0.26 112.91 113.61 2dmi h THR 36 Ca -0.03 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 66.02 2dmi h THR 36 Cb 0.34 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 66.59 2dmi h THR 36 CO 0.05 0.00 -0.17 0.52 -0.25 0.00 0.00 175.52 175.67 2dmi n VAL 37 N -5.18 -0.37 0.20 6.82 0.31 -1.22 -0.29 118.33 118.61 2dmi n VAL 37 Ca 0.02 1.98 -0.14 0.00 -0.01 0.00 0.00 64.34 66.19 2dmi n VAL 37 Cb 0.25 -2.77 -0.08 0.00 -0.91 0.00 0.00 33.84 30.34 2dmi n VAL 37 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2dmi h HIS 38 N 0.00 -0.48 -0.77 3.52 -0.00 -0.62 0.45 115.15 117.26 2dmi h HIS 38 Ca 0.44 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.97 2dmi h HIS 38 Cb 0.73 0.16 -0.14 0.00 -0.00 0.00 0.00 27.41 28.16 2dmi h HIS 38 CO -0.62 -0.16 -0.09 0.52 -0.00 0.00 0.00 177.93 177.58 2dmi h MET 39 N -0.81 0.05 0.13 5.26 2.86 0.59 0.30 114.93 123.31 2dmi h MET 39 Ca -0.05 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2dmi h MET 39 Cb 0.53 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2dmi h MET 39 CO 0.09 0.03 -0.06 -0.91 1.06 0.00 0.00 176.91 177.11 2dmi h ASN 40 N 0.05 -0.15 -0.45 1.22 2.35 -0.84 0.45 115.58 118.21 2dmi h ASN 40 Ca 0.40 -0.39 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2dmi h ASN 40 Cb 0.67 0.04 -0.09 0.00 0.05 0.00 0.00 38.32 39.00 2dmi h ASN 40 CO -0.73 0.44 -0.53 -0.33 -1.65 0.00 0.00 177.43 174.62 2dmi h GLU 41 N -0.87 -0.35 0.03 0.81 4.39 0.56 -2.88 114.58 116.27 2dmi h GLU 41 Ca -0.02 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dmi h GLU 41 Cb 0.54 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2dmi h GLU 41 CO 0.03 -0.23 -0.01 1.79 -1.16 0.00 0.00 179.01 179.43 2dmi h THR 42 N -0.36 1.41 0.00 1.13 1.35 -0.55 -3.49 112.91 112.41 2dmi h THR 42 Ca 0.09 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 2dmi h THR 42 Cb 0.59 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2dmi h THR 42 CO -0.62 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 175.64 2dmi n GLY 43 N 0.73 1.25 3.28 5.82 0.00 0.12 -5.07 105.19 111.33 2dmi n GLY 43 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.73 -4.21 1.61 8.25 0.75 -4.71 115.22 115.17 2dmi n HIS 44 Ca 0.00 0.20 -0.12 0.00 -0.26 0.00 0.00 57.72 57.54 2dmi n HIS 44 Cb 0.00 -1.62 -0.10 0.00 1.12 0.00 0.00 29.99 29.39 2dmi n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2dmi s TYR 45 N -2.26 1.10 1.12 4.41 5.04 -1.26 -3.71 117.35 121.79 2dmi s TYR 45 Ca 0.53 -1.03 -0.16 0.00 -2.44 0.00 0.00 57.07 53.98 2dmi s TYR 45 Cb -0.14 -0.63 0.23 0.00 0.35 0.00 0.00 41.96 41.77 2dmi s TYR 45 CO 0.68 -0.24 0.49 -2.13 -1.34 0.00 0.00 175.55 173.01 2dmi n ARG 46 N -0.18 -2.93 -1.17 4.97 0.63 -1.26 -3.91 116.66 112.80 2dmi n ARG 46 Ca -0.07 -0.87 0.03 0.00 -0.92 0.00 0.00 57.85 56.01 2dmi n ARG 46 Cb 0.63 -1.59 0.11 0.00 0.45 0.00 0.00 32.46 32.06 2dmi n ARG 46 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2dmi n ASP 47 N -2.43 1.63 -0.47 6.15 5.75 -1.26 -4.44 116.55 121.48 2dmi n ASP 47 Ca 0.08 -3.04 0.04 0.00 -0.01 0.00 0.00 54.79 51.86 2dmi n ASP 47 Cb 0.40 -0.42 0.12 0.00 -1.03 0.00 0.00 41.12 40.19 2dmi n ASP 47 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2dmi n ASP 48 N -0.42 2.73 -4.42 -1.12 -0.08 -1.26 -4.92 116.55 107.05 2dmi n ASP 48 Ca 0.15 -2.10 -0.44 0.00 -1.51 0.00 0.00 54.79 50.89 2dmi n ASP 48 Cb 0.90 -0.20 -0.04 0.00 2.34 0.00 0.00 41.12 44.12 2dmi n ASP 48 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2dmi s ASN 49 N -1.11 6.20 -1.13 1.67 -0.87 -1.26 -4.97 114.94 113.46 2dmi s ASN 49 Ca 0.19 -1.20 -0.23 0.00 -1.57 0.00 0.00 52.86 50.05 2dmi s ASN 49 Cb 0.11 -2.38 -0.07 0.00 -0.02 0.00 0.00 41.25 38.90 2dmi s ASN 49 CO 0.11 -1.31 1.91 -1.38 -2.57 0.00 0.00 177.10 173.86 2dmi s HIS 50 N 3.51 1.99 -0.94 2.20 -3.43 -1.26 -4.64 115.29 112.72 2dmi s HIS 50 Ca 0.19 0.33 0.25 0.00 -0.80 0.00 0.00 55.06 55.02 2dmi s HIS 50 Cb -0.19 -4.08 0.49 0.00 -1.43 0.00 0.00 32.58 27.37 2dmi s HIS 50 CO 0.08 -1.36 1.40 -1.91 -2.00 0.00 0.00 174.74 170.95 2dmi n GLU 51 N 8.42 0.05 -3.25 -0.38 2.13 -1.26 -4.77 120.64 121.58 2dmi n GLU 51 Ca 0.44 0.01 -0.43 0.00 0.66 0.00 0.00 57.16 57.84 2dmi n GLU 51 Cb 0.47 -1.53 -0.08 0.00 0.27 0.00 0.00 31.44 30.57 2dmi n GLU 51 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2dmi s THR 52 N -3.03 5.00 0.12 6.31 -4.23 -1.26 -5.05 115.64 113.49 2dmi s THR 52 Ca 0.10 -0.15 -0.25 0.00 -1.18 0.00 0.00 61.69 60.21 2dmi s THR 52 Cb 0.17 -4.09 -0.07 0.00 1.34 0.00 0.00 72.50 69.85 2dmi s THR 52 CO 0.70 -0.47 0.76 -0.62 -0.54 0.00 0.00 174.62 174.46 2dmi s ASP 53 N 1.87 7.31 0.33 3.99 -1.08 -1.26 -5.07 116.67 122.75 2dmi s ASP 53 Ca 0.16 1.55 0.05 0.00 -0.52 0.00 0.00 52.55 53.79 2dmi s ASP 53 Cb -0.16 -2.48 -0.02 0.00 -1.46 0.00 0.00 42.92 38.81 2dmi s ASP 53 CO 0.15 0.15 0.47 0.21 0.52 0.00 0.00 175.17 176.67 2dmi s ASN 54 N -0.76 6.06 -0.13 -0.34 2.47 -1.26 -5.11 114.94 115.88 2dmi s ASN 54 Ca 0.36 -0.02 0.03 0.00 0.42 0.00 0.00 52.86 53.66 2dmi s ASN 54 Cb -0.22 -1.49 0.01 0.00 -1.45 0.00 0.00 41.25 38.10 2dmi s ASN 54 CO 0.25 -0.37 -0.23 0.54 -3.72 0.00 0.00 177.10 173.58 2dmi s ASN 55 N -4.12 3.11 -0.00 -4.21 2.20 -1.26 -5.08 114.94 105.57 2dmi s ASN 55 Ca 0.42 -0.59 -0.38 0.00 -0.94 0.00 0.00 52.86 51.38 2dmi s ASN 55 Cb -0.09 -1.43 -0.17 0.00 -2.00 0.00 0.00 41.25 37.56 2dmi s ASN 55 CO 0.32 0.11 1.43 -3.20 -2.94 0.00 0.00 177.10 172.82 2dmi n ASN 56 N 3.87 1.80 0.00 3.54 2.85 -1.26 -4.81 115.26 121.25 2dmi n ASN 56 Ca -0.20 1.11 0.07 0.00 -0.11 0.00 0.00 54.58 55.45 2dmi n ASN 56 Cb 0.52 -1.17 0.36 0.00 1.24 0.00 0.00 39.78 40.72 2dmi n ASN 56 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2dmi n PRO 57 N 3.20 0.16 -3.16 1.20 -0.04 -1.26 -4.38 135.00 130.72 2dmi n PRO 57 Ca 0.20 0.17 -0.46 0.00 -0.04 0.00 0.00 63.50 63.38 2dmi n PRO 57 Cb 0.17 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.11 2dmi n PRO 57 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2dmi s LYS 58 N -2.67 3.54 0.76 0.54 -0.14 -1.26 -5.04 119.74 115.47 2dmi s LYS 58 Ca 0.12 -2.08 -0.14 0.00 -1.36 0.00 0.00 55.97 52.51 2dmi s LYS 58 Cb 0.10 -4.59 0.05 0.00 -1.68 0.00 0.00 37.83 31.71 2dmi s LYS 58 CO 0.23 -1.49 1.19 0.50 -0.76 0.00 0.00 175.35 175.02 2dmi s ARG 59 N 1.36 2.00 -0.22 1.68 3.52 -1.26 -4.84 118.95 121.20 2dmi s ARG 59 Ca 0.23 1.70 -0.40 0.00 -0.13 0.00 0.00 55.73 57.12 2dmi s ARG 59 Cb -0.10 -1.82 -0.16 0.00 -1.56 0.00 0.00 34.95 31.31 2dmi s ARG 59 CO -0.07 -1.93 1.64 1.87 -0.81 0.00 0.00 175.30 176.00 2dmi n TRP 60 N -2.96 1.90 -3.97 5.12 -0.00 -1.26 -4.95 117.44 111.31 2dmi n TRP 60 Ca 0.13 0.61 -0.22 0.00 -0.00 0.00 0.00 57.50 58.02 2dmi n TRP 60 Cb 0.51 -2.41 -0.05 0.00 -0.00 0.00 0.00 31.31 29.36 2dmi n TRP 60 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2dmi s SER 61 N 2.84 4.98 0.72 5.87 0.01 -1.26 -5.10 113.70 121.75 2dmi s SER 61 Ca 0.96 -0.63 -0.16 0.00 1.31 0.00 0.00 55.95 57.43 2dmi s SER 61 Cb -1.08 -0.85 0.03 0.00 0.21 0.00 0.00 66.02 64.32 2dmi s SER 61 CO 0.63 -0.32 1.22 0.29 0.41 0.00 0.00 173.24 175.47 2dmi n LYS 62 N -1.25 0.70 -0.55 12.44 4.01 -1.26 -5.01 118.16 127.23 2dmi n LYS 62 Ca -0.03 0.30 -0.16 0.00 -0.51 0.00 0.00 58.31 57.92 2dmi n LYS 62 Cb 0.60 -2.46 0.13 0.00 -0.51 0.00 0.00 35.03 32.80 2dmi n LYS 62 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2dmi n PRO 63 N -2.40 -2.16 -4.28 1.97 -0.04 -1.26 -5.07 135.00 121.75 2dmi n PRO 63 Ca 0.15 -0.93 -0.30 0.00 -0.04 0.00 0.00 63.50 62.38 2dmi n PRO 63 Cb 0.49 -0.88 -0.11 0.00 -0.04 0.00 0.00 33.50 32.97 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 -4.32 1.95 -0.44 0.54 3.00 -1.26 -5.04 118.95 113.37 2dmi s ARG 64 Ca 0.38 -1.10 -0.41 0.00 -1.00 0.00 0.00 55.73 53.59 2dmi s ARG 64 Cb -0.04 -2.20 -0.17 0.00 0.00 0.00 0.00 34.95 32.54 2dmi s ARG 64 CO 0.29 0.49 2.09 1.63 0.00 0.00 0.00 175.30 179.81 2dmi n LYS 65 N 0.79 0.38 -0.11 5.12 5.02 -1.26 -4.76 118.16 123.34 2dmi n LYS 65 Ca -0.15 0.11 -0.01 0.00 -2.02 0.00 0.00 58.31 56.24 2dmi n LYS 65 Cb 0.52 -1.81 0.03 0.00 -0.02 0.00 0.00 35.03 33.75 2dmi n LYS 65 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2dmi n ARG 66 N 7.31 1.23 -0.40 1.97 0.63 -1.26 -4.89 116.66 121.25 2dmi n ARG 66 Ca 0.48 -0.31 -0.21 0.00 -0.92 0.00 0.00 57.85 56.89 2dmi n ARG 66 Cb 0.05 -1.30 0.19 0.00 0.45 0.00 0.00 32.46 31.84 2dmi n ARG 66 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2dmi n SER 67 N 0.23 -2.72 -1.19 6.15 3.41 -1.26 -4.41 113.62 113.82 2dmi n SER 67 Ca 0.05 -0.75 -0.07 0.00 -0.26 0.00 0.00 58.87 57.83 2dmi n SER 67 Cb 0.51 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 2dmi n SER 67 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2dmi n LEU 68 N 0.00 -1.98 0.00 1.04 -0.00 -1.26 -5.03 117.00 109.78 2dmi n LEU 68 Ca 0.10 -0.10 -0.22 0.00 -0.00 0.00 0.00 56.01 55.78 2dmi n LEU 68 Cb 0.40 -1.30 0.21 0.00 -0.00 0.00 0.00 43.42 42.74 2dmi n LEU 68 CO 0.27 0.09 0.25 0.00 -0.00 0.00 0.00 177.39 178.00 2dmi n LEU 69 N -1.54 0.00 -3.69 -1.96 -0.00 -1.26 -5.07 117.00 103.48 2dmi n LEU 69 Ca -0.03 -0.63 -0.14 0.00 -0.00 0.00 0.00 56.01 55.21 2dmi n LEU 69 Cb 0.54 -0.75 -0.09 0.00 -0.00 0.00 0.00 43.42 43.12 2dmi n LEU 69 CO 0.16 -2.50 0.21 -1.83 -0.00 0.00 0.00 177.39 173.43 2dmi s GLU 70 N -4.37 0.62 -0.11 1.47 -1.05 -1.26 -5.16 118.70 108.84 2dmi s GLU 70 Ca 0.48 0.70 -0.02 0.00 -0.15 0.00 0.00 54.97 55.98 2dmi s GLU 70 Cb -0.08 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.87 2dmi s GLU 70 CO 0.40 -0.08 -0.02 -1.64 0.95 0.00 0.00 175.26 174.88 2dmi s MET 71 N 0.23 3.21 0.48 -4.83 -1.94 -1.26 -5.12 119.30 110.07 2dmi s MET 71 Ca -0.00 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 2dmi s MET 71 Cb -0.04 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 33.97 2dmi s MET 71 CO 0.01 0.53 0.04 -1.83 -0.01 0.00 0.00 175.02 173.76 2dmi s GLU 72 N -0.43 2.12 0.00 2.03 -1.05 -1.26 -5.16 118.70 114.95 2dmi s GLU 72 Ca 0.07 -2.33 0.00 0.00 -0.15 0.00 0.00 54.97 52.56 2dmi s GLU 72 Cb -0.12 -1.28 0.00 0.00 -0.44 0.00 0.00 34.13 32.29 2dmi s GLU 72 CO 0.02 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.26 2dmi n GLY 73 N -1.16 1.91 2.03 -3.83 0.00 -1.26 -5.02 105.19 97.86 2dmi n GLY 73 Ca -0.15 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2dmi n GLY 73 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dmi n LYS 74 N -0.13 1.98 -3.74 1.61 2.85 -1.26 -4.69 118.16 114.78 2dmi n LYS 74 Ca 0.00 -1.83 -0.29 0.00 -1.05 0.00 0.00 58.31 55.14 2dmi n LYS 74 Cb 0.00 -1.76 -0.13 0.00 -0.65 0.00 0.00 35.03 32.50 2dmi n LYS 74 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2dmi s GLU 75 N -1.96 1.56 0.04 -1.58 2.02 -1.26 -5.08 118.70 112.44 2dmi s GLU 75 Ca 0.38 -2.36 -0.28 0.00 0.02 0.00 0.00 54.97 52.73 2dmi s GLU 75 Cb 0.29 -2.55 0.10 0.00 0.10 0.00 0.00 34.13 32.06 2dmi s GLU 75 CO -0.04 -1.21 1.20 0.34 0.02 0.00 0.00 175.26 175.57 2dmi s ASP 76 N -0.13 -0.04 -0.42 -0.19 2.15 -1.26 -5.03 116.67 111.75 2dmi s ASP 76 Ca 0.21 -0.29 -0.01 0.00 0.43 0.00 0.00 52.55 52.89 2dmi s ASP 76 Cb -0.17 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 2dmi s ASP 76 CO -0.06 -0.49 0.36 0.00 -0.17 0.00 0.00 175.17 174.80 2dmi n ALA 77 N -0.66 -0.62 -1.16 3.66 0.00 -1.26 -4.95 120.51 115.51 2dmi n ALA 77 Ca -0.03 0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 2dmi n ALA 77 Cb 0.61 -1.43 0.10 0.00 0.00 0.00 0.00 19.45 18.72 2dmi n ALA 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2dmi n GLN 78 N -2.06 2.38 0.00 0.00 -0.06 -1.26 -4.10 117.38 112.29 2dmi n GLN 78 Ca -0.07 -2.87 0.00 0.00 -2.00 0.00 0.00 57.00 52.06 2dmi n GLN 78 Cb 0.55 -2.12 0.00 0.00 -4.06 0.00 0.00 30.24 24.60 2dmi n GLN 78 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 2dmi n LYS 79 N -0.77 2.01 -4.31 3.69 0.00 -1.26 -5.08 118.16 112.44 2dmi n LYS 79 Ca 0.56 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.67 2dmi n LYS 79 Cb 0.95 -0.79 -0.13 0.00 -0.00 0.00 0.00 35.03 35.06 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 -1.57 1.09 -0.10 0.58 0.11 -1.26 -5.10 120.40 114.15 2dmi s VAL 80 Ca 0.00 -1.06 -0.33 0.00 -2.93 0.00 0.00 61.98 57.66 2dmi s VAL 80 Cb 0.00 -1.01 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 2dmi s VAL 80 CO 0.00 -0.05 1.96 0.18 -3.33 0.00 0.00 175.10 173.86 2dmi n LEU 81 N 1.77 3.45 -3.67 2.54 4.77 -1.26 -4.91 117.00 119.69 2dmi n LEU 81 Ca -0.19 0.84 -0.15 0.00 -0.03 0.00 0.00 56.01 56.48 2dmi n LEU 81 Cb 0.55 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.09 2dmi n LEU 81 CO 0.22 -0.13 -0.18 -0.75 -1.33 0.00 0.00 177.39 175.23 2dmi s LYS 82 N 4.57 0.10 0.66 3.23 2.20 -1.26 -0.61 119.74 128.63 2dmi s LYS 82 Ca 0.94 0.64 -0.17 0.00 -0.36 0.00 0.00 55.97 57.02 2dmi s LYS 82 Cb -0.63 -0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 35.54 2dmi s LYS 82 CO 0.48 -0.28 1.20 0.00 -0.36 0.00 0.00 175.35 176.40 2dmi n MET 84 N -1.86 0.68 0.22 0.00 1.56 -1.26 -2.89 117.12 113.57 2dmi n MET 84 Ca 0.15 0.05 -0.16 0.00 -0.27 0.00 0.00 57.70 57.47 2dmi n MET 84 Cb 0.48 -1.55 -0.08 0.00 2.15 0.00 0.00 33.22 34.22 2dmi n MET 84 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2dmi h TYR 85 N 0.00 -1.20 0.00 1.12 5.03 -1.93 -3.38 116.97 116.62 2dmi h TYR 85 Ca -0.53 0.01 -0.35 0.00 2.58 0.00 0.00 58.73 60.45 2dmi h TYR 85 Cb 2.17 0.48 -0.05 0.00 1.55 0.00 0.00 36.73 40.87 2dmi h TYR 85 CO 0.01 -0.58 -2.15 0.00 -1.32 0.00 0.00 178.16 174.12 2dmi n GLY 87 N 1.66 0.68 3.30 0.00 0.00 -1.14 -5.07 105.19 104.62 2dmi n GLY 87 Ca -0.41 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.03 2.23 0.44 1.61 3.76 -1.25 -4.89 115.29 116.16 2dmi s HIS 88 Ca 0.00 -0.42 -0.18 0.00 -0.15 0.00 0.00 55.06 54.31 2dmi s HIS 88 Cb 0.00 -1.41 -0.09 0.00 1.11 0.00 0.00 32.58 32.19 2dmi s HIS 88 CO 0.00 0.00 0.92 -1.54 -0.85 0.00 0.00 174.74 173.28 2dmi s SER 89 N -0.75 6.79 0.29 1.40 1.04 -1.26 -1.93 113.70 119.27 2dmi s SER 89 Ca 0.10 1.56 0.05 0.00 0.48 0.00 0.00 55.95 58.14 2dmi s SER 89 Cb -0.10 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 2dmi s SER 89 CO -0.00 -0.42 0.18 0.49 0.98 0.00 0.00 173.24 174.47 2dmi n PHE 90 N -0.96 -0.32 -0.07 5.02 3.01 0.21 -4.97 117.46 119.39 2dmi n PHE 90 Ca 0.06 -2.14 -0.13 0.00 1.01 0.00 0.00 57.45 56.25 2dmi n PHE 90 Cb 0.54 0.13 -0.04 0.00 -0.01 0.00 0.00 39.48 40.10 2dmi n PHE 90 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2dmi n GLU 91 N -0.59 0.36 -4.31 -1.08 -0.58 -1.26 -4.53 120.64 108.65 2dmi n GLU 91 Ca 0.02 0.15 -0.16 0.00 -0.42 0.00 0.00 57.16 56.75 2dmi n GLU 91 Cb 0.48 -1.12 -0.10 0.00 -0.57 0.00 0.00 31.44 30.12 2dmi n GLU 91 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2dmi s SER 92 N -6.29 1.15 0.19 1.62 1.04 -1.26 -4.83 113.70 105.32 2dmi s SER 92 Ca -0.22 -1.41 -0.17 0.00 0.48 0.00 0.00 55.95 54.63 2dmi s SER 92 Cb 0.06 0.21 0.17 0.00 0.10 0.00 0.00 66.02 66.56 2dmi s SER 92 CO 0.30 -0.76 1.61 -0.07 0.98 0.00 0.00 173.24 175.30 2dmi h LEU 93 N 2.38 -0.80 -0.47 2.42 -0.00 -1.99 -1.61 115.31 115.24 2dmi h LEU 93 Ca -0.38 0.19 0.06 0.00 -0.00 0.00 0.00 57.88 57.76 2dmi h LEU 93 Cb 1.25 0.45 -0.09 0.00 -0.00 0.00 0.00 40.66 42.26 2dmi h LEU 93 CO 0.59 -0.25 -0.50 -0.61 -0.00 0.00 0.00 178.44 177.67 2dmi h GLN 94 N -0.09 -0.32 -0.74 1.13 -0.00 -1.99 0.40 115.11 113.50 2dmi h GLN 94 Ca 0.25 0.02 0.13 0.00 -0.00 0.00 0.00 58.65 59.06 2dmi h GLN 94 Cb 0.49 0.07 -0.09 0.00 0.00 0.00 0.00 27.48 27.95 2dmi h GLN 94 CO -0.62 -0.21 0.31 -0.44 0.00 0.00 0.00 178.83 177.87 2dmi h ASP 95 N -0.33 0.31 0.40 -0.69 5.19 -1.73 -1.98 116.42 117.59 2dmi h ASP 95 Ca 0.12 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 2dmi h ASP 95 Cb 0.58 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.16 2dmi h ASP 95 CO -0.63 0.13 -0.19 0.25 -3.12 0.00 0.00 179.24 175.68 2dmi h LEU 96 N 0.47 -0.45 -0.41 1.55 7.12 -0.11 -3.12 115.31 120.35 2dmi h LEU 96 Ca 0.40 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.46 2dmi h LEU 96 Cb 0.58 0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 40.78 2dmi h LEU 96 CO -0.38 -0.28 -0.24 -0.24 -0.13 0.00 0.00 178.44 177.16 2dmi n SER 97 N -3.66 -0.44 0.00 1.25 2.88 0.12 -1.94 113.62 111.82 2dmi n SER 97 Ca -0.07 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2dmi n SER 97 Cb 0.21 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2dmi n SER 97 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2dmi n VAL 98 N -3.92 0.00 -0.37 2.46 0.31 -0.76 -0.71 118.33 115.35 2dmi n VAL 98 Ca 0.01 1.06 -0.08 0.00 -0.01 0.00 0.00 64.34 65.31 2dmi n VAL 98 Cb 0.11 -1.43 -0.07 0.00 -0.91 0.00 0.00 33.84 31.54 2dmi n VAL 98 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2dmi n HIS 99 N -2.42 -0.33 -0.33 3.52 -0.00 -0.82 0.19 115.22 115.03 2dmi n HIS 99 Ca 0.00 1.10 0.23 0.00 -0.00 0.00 0.00 57.72 59.05 2dmi n HIS 99 Cb 0.00 -0.61 0.50 0.00 -0.00 0.00 0.00 29.99 29.88 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 0.39 0.08 1.57 2.86 -0.36 0.32 114.93 119.78 2dmi h MET 100 Ca 0.16 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2dmi h MET 100 Cb 0.38 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2dmi h MET 100 CO -0.83 0.26 -0.04 0.82 1.06 0.00 0.00 176.91 178.17 2dmi h ILE 101 N 0.40 0.00 -1.15 -1.22 2.04 0.38 1.98 117.51 119.94 2dmi h ILE 101 Ca 0.61 -0.72 0.33 0.00 1.00 0.00 0.00 64.86 66.07 2dmi h ILE 101 Cb 1.51 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 2dmi h ILE 101 CO -0.32 0.00 0.82 0.11 0.00 0.00 0.00 178.15 178.76 2dmi h LYS 102 N -0.83 0.05 0.00 2.37 1.57 0.22 0.27 116.57 120.22 2dmi h LYS 102 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2dmi h LYS 102 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2dmi h LYS 102 CO 0.02 0.03 -1.35 0.25 -0.57 0.00 0.00 179.45 177.83 2dmi n THR 103 N -4.25 0.00 -3.33 -0.16 -2.24 0.11 -5.02 114.28 99.40 2dmi n THR 103 Ca 0.25 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 2dmi n THR 103 Cb 1.18 0.45 0.08 0.00 -2.10 0.00 0.00 70.33 69.95 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 -1.79 -6.17 0.08 -0.78 4.01 0.61 -4.92 118.16 109.20 2dmi n LYS 104 Ca -0.01 0.78 0.03 0.00 -0.51 0.00 0.00 58.31 58.60 2dmi n LYS 104 Cb 0.35 -5.59 -0.03 0.00 -0.51 0.00 0.00 35.03 29.25 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 -1.80 0.00 -0.01 2.13 3.86 -0.09 -3.31 115.15 115.92 2dmi h HIS 105 Ca -0.54 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 2dmi h HIS 105 Cb 1.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.78 2dmi h HIS 105 CO 0.41 0.44 -0.45 2.48 0.86 0.00 0.00 177.93 181.67 2dmi n TYR 106 N -2.96 0.00 -0.96 2.45 4.11 -1.24 -4.13 117.16 114.43 2dmi n TYR 106 Ca -0.04 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.89 2dmi n TYR 106 Cb 0.75 -0.01 0.37 0.00 -0.00 0.00 0.00 39.34 40.45 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 -0.06 4.45 -0.00 -3.48 6.02 -1.25 -4.14 117.38 118.91 2dmi n GLN 107 Ca 0.10 -3.14 0.01 0.00 -0.01 0.00 0.00 57.00 53.95 2dmi n GLN 107 Cb 0.46 -2.23 -0.02 0.00 1.02 0.00 0.00 30.24 29.47 2dmi n GLN 107 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2dmi n LYS 108 N 0.32 1.12 0.18 -1.09 2.85 -1.26 -4.59 118.16 115.69 2dmi n LYS 108 Ca 0.32 -0.01 0.14 0.00 -1.05 0.00 0.00 58.31 57.70 2dmi n LYS 108 Cb 1.25 -1.05 0.53 0.00 -0.65 0.00 0.00 35.03 35.11 2dmi n LYS 108 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 2dmi h VAL 109 N 0.00 0.00 -0.85 0.58 -1.51 -1.80 -3.44 116.25 109.23 2dmi h VAL 109 Ca -0.02 -0.38 -0.54 0.00 -1.23 0.00 0.00 66.70 64.54 2dmi h VAL 109 Cb 0.40 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 30.77 2dmi h VAL 109 CO 0.00 0.00 -0.26 -0.55 -1.23 0.00 0.00 177.57 175.53 2dmi s SER 110 N -4.82 4.86 -0.01 4.19 0.15 -1.26 -5.14 113.70 111.67 2dmi s SER 110 Ca 0.04 -1.02 0.05 0.00 0.70 0.00 0.00 55.95 55.72 2dmi s SER 110 Cb 0.09 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 2dmi s SER 110 CO 0.47 -1.06 -0.16 -0.83 1.20 0.00 0.00 173.24 172.86 2dmi s GLY 111 N -4.35 0.79 0.00 9.45 0.00 -1.26 -5.05 107.32 106.89 2dmi s GLY 111 Ca 0.45 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2dmi s GLY 111 CO 0.28 -0.59 0.00 -1.55 0.00 0.00 0.00 173.10 171.24 2dmi n PRO 112 N 2.63 -0.77 -4.45 2.90 -0.04 -1.26 -5.10 135.00 128.91 2dmi n PRO 112 Ca -0.15 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.09 2dmi n PRO 112 Cb 0.54 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.51 2.31 0.49 3.54 0.15 -1.26 -5.18 113.70 112.26 2dmi s SER 113 Ca 0.00 -1.52 0.02 0.00 0.70 0.00 0.00 55.95 55.15 2dmi s SER 113 Cb 0.00 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.52 2dmi s SER 113 CO 0.00 -0.78 0.01 -0.94 1.20 0.00 0.00 173.24 172.73 2dmi s SER 114 N -3.50 4.03 0.00 5.45 1.04 -1.26 -5.37 113.70 114.08 2dmi s SER 114 Ca 0.31 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2dmi s SER 114 Cb 0.06 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2dmi s SER 114 CO 0.15 -0.81 0.42 0.61 0.98 0.00 0.00 173.24 174.59