#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgq s SER 32 N 0.00 4.58 -0.49 1.61 0.01 -1.26 -4.94 113.70 113.21 2dgq s SER 32 Ca 0.00 -0.96 0.02 0.00 1.31 0.00 0.00 55.95 56.31 2dgq s SER 32 Cb 0.00 -1.71 0.13 0.00 0.21 0.00 0.00 66.02 64.65 2dgq s SER 32 CO 0.00 -0.17 0.25 -0.55 0.41 0.00 0.00 173.24 173.17 2dgq s SER 33 N 1.33 4.72 0.00 2.44 0.15 -1.26 -4.90 113.70 116.18 2dgq s SER 33 Ca -0.01 -2.68 0.00 0.00 0.70 0.00 0.00 55.95 53.96 2dgq s SER 33 Cb -0.18 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2dgq s SER 33 CO -0.03 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2dgq n GLY 34 N 3.61 1.67 0.06 9.45 0.00 -1.26 -5.02 105.19 113.70 2dgq n GLY 34 Ca 0.05 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 2dgq n GLY 34 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dgq h SER 35 N 0.00 -0.01 -2.02 1.61 0.87 -2.04 -3.41 113.55 108.56 2dgq h SER 35 Ca 0.00 -0.58 -0.50 0.00 -1.23 0.00 0.00 61.79 59.47 2dgq h SER 35 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2dgq h SER 35 CO 0.00 0.58 1.36 -0.55 -0.53 0.00 0.00 176.83 177.69 2dgq s SER 36 N -5.79 5.28 -0.14 6.23 0.15 -1.26 -4.83 113.70 113.34 2dgq s SER 36 Ca -0.16 0.44 -0.29 0.00 0.70 0.00 0.00 55.95 56.64 2dgq s SER 36 Cb 0.01 -2.53 -0.26 0.00 -1.71 0.00 0.00 66.02 61.53 2dgq s SER 36 CO 0.67 -2.35 0.78 1.23 1.20 0.00 0.00 173.24 174.77 2dgq h GLY 37 N 16.38 0.01 -4.90 9.45 0.00 -2.00 -3.47 103.07 118.54 2dgq h GLY 37 Ca -0.26 -0.02 -0.65 0.00 0.00 0.00 0.00 47.33 46.40 2dgq h GLY 37 CO 1.20 0.01 -0.21 -0.62 0.00 0.00 0.00 176.54 176.93 2dgq n VAL 38 N -4.61 0.88 -2.04 4.60 0.31 -1.26 -4.74 118.33 111.46 2dgq n VAL 38 Ca -0.10 -0.22 -0.37 0.00 -0.01 0.00 0.00 64.34 63.64 2dgq n VAL 38 Cb 0.48 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.38 2dgq n VAL 38 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2dgq s PRO 39 N -0.44 2.62 -0.05 5.55 0.04 -1.26 -4.96 135.00 136.50 2dgq s PRO 39 Ca 0.69 0.51 0.05 0.00 0.04 0.00 0.00 61.00 62.30 2dgq s PRO 39 Cb -0.98 -4.46 -0.01 0.00 0.04 0.00 0.00 34.50 29.09 2dgq s PRO 39 CO 0.50 -2.80 -0.22 0.00 0.04 0.00 0.00 177.00 174.52 2dgq s MET 40 N 7.04 2.27 0.27 4.56 0.23 -1.26 -5.13 119.30 127.27 2dgq s MET 40 Ca 0.67 -0.80 0.02 0.00 -1.03 0.00 0.00 55.69 54.55 2dgq s MET 40 Cb -0.12 -1.94 0.02 0.00 -1.53 0.00 0.00 34.83 31.26 2dgq s MET 40 CO 0.18 0.33 0.13 0.36 -2.03 0.00 0.00 175.02 174.00 2dgq n LYS 41 N 3.01 1.19 -2.90 3.16 0.00 -1.26 -4.77 118.16 116.59 2dgq n LYS 41 Ca -0.18 -1.79 -0.28 0.00 -0.00 0.00 0.00 58.31 56.06 2dgq n LYS 41 Cb 0.52 0.30 -0.02 0.00 -0.00 0.00 0.00 35.03 35.84 2dgq n LYS 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2dgq s ASP 42 N -2.55 6.40 0.51 -5.58 2.15 -0.24 -4.96 116.67 112.39 2dgq s ASP 42 Ca 0.10 0.93 0.34 0.00 0.43 0.00 0.00 52.55 54.36 2dgq s ASP 42 Cb -0.01 -2.24 1.69 0.00 -0.30 0.00 0.00 42.92 42.06 2dgq s ASP 42 CO 0.06 -0.42 2.04 1.12 -0.17 0.00 0.00 175.17 177.80 2dgq h HIS 43 N 0.92 0.00 0.00 -5.34 2.07 -2.01 -2.12 115.15 108.66 2dgq h HIS 43 Ca -0.47 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.02 2dgq h HIS 43 Cb 1.20 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.13 2dgq h HIS 43 CO 0.59 0.00 -0.47 -0.25 -3.07 0.00 0.00 177.93 174.72 2dgq n ASP 44 N -2.81 1.68 -3.42 3.10 8.00 -1.26 -5.08 116.55 116.76 2dgq n ASP 44 Ca -0.01 -3.44 -0.24 0.00 0.71 0.00 0.00 54.79 51.81 2dgq n ASP 44 Cb 0.16 -0.47 0.23 0.00 -0.02 0.00 0.00 41.12 41.01 2dgq n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dgq n ALA 45 N -0.93 -3.02 -3.05 2.24 0.00 -0.80 -4.83 120.51 110.12 2dgq n ALA 45 Ca 0.16 -1.52 -0.12 0.00 0.00 0.00 0.00 53.44 51.96 2dgq n ALA 45 Cb 0.74 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 2dgq n ALA 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2dgq s ILE 46 N -2.10 -0.01 -0.26 0.00 1.01 -1.26 -4.98 121.20 113.60 2dgq s ILE 46 Ca 0.53 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 61.10 2dgq s ILE 46 Cb -0.10 -0.13 -0.05 0.00 0.01 0.00 0.00 42.46 42.19 2dgq s ILE 46 CO 0.45 0.01 0.16 -0.75 0.00 0.00 0.00 174.94 174.81 2dgq s LYS 47 N 0.17 3.93 -0.01 2.79 2.20 -1.26 -3.68 119.74 123.88 2dgq s LYS 47 Ca -0.01 -0.34 -0.18 0.00 -0.36 0.00 0.00 55.97 55.08 2dgq s LYS 47 Cb -0.02 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.69 2dgq s LYS 47 CO -0.00 -0.11 0.52 -0.51 -0.36 0.00 0.00 175.35 174.89 2dgq s LEU 48 N 1.52 4.43 -0.21 5.43 1.43 0.82 0.11 118.68 132.21 2dgq s LEU 48 Ca 0.07 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 2dgq s LEU 48 Cb -0.15 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.31 2dgq s LEU 48 CO 0.08 0.18 -0.15 0.12 0.23 0.00 0.00 176.35 176.80 2dgq s PHE 49 N -0.47 2.93 -0.13 0.29 5.36 0.87 -0.22 117.98 126.62 2dgq s PHE 49 Ca 0.28 -1.74 -0.11 0.00 -0.96 0.00 0.00 56.93 54.39 2dgq s PHE 49 Cb -0.18 -1.95 -0.05 0.00 -0.34 0.00 0.00 43.02 40.51 2dgq s PHE 49 CO 0.15 -0.80 0.24 0.08 -1.46 0.00 0.00 175.22 173.43 2dgq s VAL 50 N 1.26 5.33 -0.16 3.12 1.01 -0.83 -2.17 120.40 127.98 2dgq s VAL 50 Ca 0.01 0.44 0.15 0.00 0.00 0.00 0.00 61.98 62.58 2dgq s VAL 50 Cb -0.15 -3.55 0.42 0.00 0.00 0.00 0.00 36.38 33.10 2dgq s VAL 50 CO -0.10 0.50 1.21 0.61 0.00 0.00 0.00 175.10 177.32 2dgq n GLY 51 N 2.73 4.06 2.52 4.51 0.00 -0.87 -1.91 105.19 116.24 2dgq n GLY 51 Ca -0.15 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 2dgq n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dgq n GLN 52 N -0.68 2.40 -3.52 1.61 -0.06 -1.25 -4.83 117.38 111.05 2dgq n GLN 52 Ca 0.16 -3.78 -0.41 0.00 -2.00 0.00 0.00 57.00 50.97 2dgq n GLN 52 Cb 0.82 -1.83 -0.10 0.00 -4.06 0.00 0.00 30.24 25.06 2dgq n GLN 52 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2dgq s ILE 53 N -4.13 5.20 0.00 1.69 1.01 -1.21 -4.87 121.20 118.89 2dgq s ILE 53 Ca 0.37 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2dgq s ILE 53 Cb 0.38 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2dgq s ILE 53 CO -0.02 -0.10 0.00 -0.81 0.00 0.00 0.00 174.94 174.01 2dgq n PRO 54 N 5.11 -0.71 -3.69 2.79 -0.04 -1.26 -4.20 135.00 133.00 2dgq n PRO 54 Ca -0.12 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.96 2dgq n PRO 54 Cb 0.49 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.83 2dgq n PRO 54 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dgq s ARG 55 N -2.54 3.59 0.00 0.54 3.00 -1.26 -4.40 118.95 117.88 2dgq s ARG 55 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 55.73 55.19 2dgq s ARG 55 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.48 2dgq s ARG 55 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.30 175.44 2dgq n GLY 56 N 4.97 1.20 3.94 -3.53 0.00 -1.26 -5.13 105.19 105.38 2dgq n GLY 56 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 2dgq n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dgq s LEU 57 N 0.00 3.92 0.00 0.99 1.43 -1.26 -5.11 118.68 118.64 2dgq s LEU 57 Ca 0.00 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2dgq s LEU 57 Cb 0.00 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 2dgq s LEU 57 CO 0.00 -0.34 0.20 0.47 0.23 0.00 0.00 176.35 176.91 2dgq n ASP 58 N -1.51 -0.52 0.31 2.29 9.92 -1.26 -5.00 116.55 120.78 2dgq n ASP 58 Ca -0.02 -2.40 0.21 0.00 -0.53 0.00 0.00 54.79 52.05 2dgq n ASP 58 Cb 0.58 1.16 1.12 0.00 -0.64 0.00 0.00 41.12 43.35 2dgq n ASP 58 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2dgq h GLU 59 N 0.00 0.00 -0.00 -1.24 5.08 -1.98 0.21 114.58 116.65 2dgq h GLU 59 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2dgq h GLU 59 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2dgq h GLU 59 CO 0.22 0.00 -0.12 1.04 -1.00 0.00 0.00 179.01 179.16 2dgq n GLN 60 N -2.94 0.09 -0.01 2.33 6.02 -1.26 -2.28 117.38 119.33 2dgq n GLN 60 Ca -0.03 -0.02 0.07 0.00 -0.01 0.00 0.00 57.00 57.01 2dgq n GLN 60 Cb 0.06 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.72 2dgq n GLN 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2dgq n ASP 61 N -1.44 1.59 0.03 1.08 9.92 0.70 -4.45 116.55 123.98 2dgq n ASP 61 Ca 0.08 -0.13 0.11 0.00 -0.53 0.00 0.00 54.79 54.32 2dgq n ASP 61 Cb 0.33 1.54 -0.09 0.00 -0.64 0.00 0.00 41.12 42.25 2dgq n ASP 61 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dgq n LEU 62 N -1.88 0.38 -0.12 0.64 4.77 -0.92 -4.29 117.00 115.57 2dgq n LEU 62 Ca -0.02 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2dgq n LEU 62 Cb 0.34 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2dgq n LEU 62 CO 0.29 -0.05 0.89 0.50 -1.33 0.00 0.00 177.39 177.70 2dgq h LYS 63 N 0.00 0.57 -0.57 3.23 3.64 -1.67 -2.45 116.57 119.32 2dgq h LYS 63 Ca 0.00 -0.12 0.11 0.00 -1.27 0.00 0.00 60.65 59.38 2dgq h LYS 63 Cb 0.95 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.58 2dgq h LYS 63 CO 0.00 0.57 -0.18 -1.35 -2.27 0.00 0.00 179.45 176.23 2dgq h PRO 64 N 0.45 -0.03 -0.04 1.90 0.11 -1.80 1.01 132.00 133.59 2dgq h PRO 64 Ca 0.12 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 2dgq h PRO 64 Cb 0.23 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2dgq h PRO 64 CO -0.01 -0.02 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.69 2dgq h LEU 65 N -0.04 0.07 -2.15 2.35 3.38 -1.78 -2.77 115.31 114.38 2dgq h LEU 65 Ca 0.27 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2dgq h LEU 65 Cb 0.45 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2dgq h LEU 65 CO -0.61 0.37 -0.06 -0.26 0.09 0.00 0.00 178.44 177.97 2dgq h PHE 66 N -0.23 0.00 -0.00 1.13 0.04 -0.88 -0.53 116.94 116.47 2dgq h PHE 66 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2dgq h PHE 66 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 2dgq h PHE 66 CO 0.03 0.06 -0.00 0.39 -0.60 0.00 0.00 178.31 178.19 2dgq n GLU 67 N -3.40 1.15 0.10 1.51 1.02 0.34 -3.12 120.64 118.25 2dgq n GLU 67 Ca -0.02 -0.25 0.12 0.00 -0.02 0.00 0.00 57.16 56.99 2dgq n GLU 67 Cb 0.20 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.18 2dgq n GLU 67 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dgq h GLU 68 N 0.60 0.00 0.00 3.49 5.08 -0.98 -3.38 114.58 119.39 2dgq h GLU 68 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 2dgq h GLU 68 Cb 0.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 2dgq h GLU 68 CO 0.00 0.00 -2.43 1.19 -1.00 0.00 0.00 179.01 176.77 2dgq n PHE 69 N -2.52 0.00 -3.96 4.33 3.72 -1.19 -5.10 117.46 112.74 2dgq n PHE 69 Ca 0.01 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.42 2dgq n PHE 69 Cb 0.51 -0.95 0.01 0.00 -0.94 0.00 0.00 39.48 38.12 2dgq n PHE 69 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dgq n GLY 70 N 2.03 0.37 3.74 1.37 0.00 -1.18 -4.91 105.19 106.60 2dgq n GLY 70 Ca -0.46 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 2dgq n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dgq s ARG 71 N -2.02 4.46 0.59 1.61 6.06 -1.26 -4.17 118.95 124.22 2dgq s ARG 71 Ca 0.25 1.92 -0.10 0.00 -2.50 0.00 0.00 55.73 55.30 2dgq s ARG 71 Cb -0.01 -3.23 -0.04 0.00 0.06 0.00 0.00 34.95 31.73 2dgq s ARG 71 CO 0.01 -0.13 0.98 0.42 -2.50 0.00 0.00 175.30 174.08 2dgq s ILE 72 N -0.02 4.74 -0.07 4.11 1.01 -1.26 -3.78 121.20 125.94 2dgq s ILE 72 Ca 0.54 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.96 2dgq s ILE 72 Cb -0.34 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 2dgq s ILE 72 CO 0.37 -1.06 -0.05 0.00 0.00 0.00 0.00 174.94 174.20 2dgq n TYR 73 N -2.58 0.00 -3.58 3.97 4.19 -0.24 -4.66 117.16 114.26 2dgq n TYR 73 Ca 0.05 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.25 2dgq n TYR 73 Cb 0.54 -0.28 -0.06 0.00 0.49 0.00 0.00 39.34 40.04 2dgq n TYR 73 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 2dgq s GLU 74 N -2.14 0.36 -0.15 2.98 2.12 -1.19 -4.99 118.70 115.68 2dgq s GLU 74 Ca -0.08 0.70 0.01 0.00 0.36 0.00 0.00 54.97 55.95 2dgq s GLU 74 Cb 0.02 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.63 2dgq s GLU 74 CO 0.18 -0.09 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.48 2dgq s LEU 75 N 1.69 1.82 -0.01 2.70 2.96 -1.26 -0.98 118.68 125.60 2dgq s LEU 75 Ca -0.07 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 2dgq s LEU 75 Cb -0.04 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.38 2dgq s LEU 75 CO -0.16 -0.03 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.90 2dgq s THR 76 N 1.37 0.41 -0.12 3.68 2.01 -0.89 -4.97 115.64 117.13 2dgq s THR 76 Ca 0.04 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.72 2dgq s THR 76 Cb -0.13 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 2dgq s THR 76 CO -0.10 0.12 0.25 -0.69 -0.69 0.00 0.00 174.62 173.51 2dgq s VAL 77 N -0.03 5.32 0.01 3.82 1.01 -1.26 0.53 120.40 129.81 2dgq s VAL 77 Ca 0.01 0.47 -0.25 0.00 0.00 0.00 0.00 61.98 62.21 2dgq s VAL 77 Cb -0.03 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2dgq s VAL 77 CO -0.00 0.51 0.76 -0.76 0.00 0.00 0.00 175.10 175.61 2dgq s LEU 78 N -0.33 4.41 0.05 3.92 1.43 0.10 -4.92 118.68 123.34 2dgq s LEU 78 Ca 0.17 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 2dgq s LEU 78 Cb -0.13 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.85 2dgq s LEU 78 CO 0.05 -0.03 -0.07 -0.54 0.23 0.00 0.00 176.35 175.98 2dgq s LYS 79 N 0.21 0.55 1.40 1.70 1.02 -1.26 -3.45 119.74 119.91 2dgq s LYS 79 Ca 0.39 -0.81 -0.23 0.00 0.02 0.00 0.00 55.97 55.34 2dgq s LYS 79 Cb -0.20 -0.27 0.36 0.00 -0.52 0.00 0.00 37.83 37.21 2dgq s LYS 79 CO 0.22 0.04 0.82 -3.47 -0.92 0.00 0.00 175.35 172.04 2dgq n ASP 80 N 1.31 -4.08 -0.03 2.83 2.03 -0.90 -4.90 116.55 112.80 2dgq n ASP 80 Ca -0.22 -0.83 -0.04 0.00 0.52 0.00 0.00 54.79 54.23 2dgq n ASP 80 Cb 0.55 -0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 2dgq n ASP 80 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dgq n ARG 81 N -5.54 0.39 0.08 -0.67 1.74 -1.26 -3.54 116.66 107.86 2dgq n ARG 81 Ca 0.13 0.03 -0.17 0.00 -0.77 0.00 0.00 57.85 57.07 2dgq n ARG 81 Cb 0.57 -1.11 -0.09 0.00 -1.02 0.00 0.00 32.46 30.80 2dgq n ARG 81 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dgq h LEU 82 N 0.00 0.64 0.00 0.55 3.38 -2.00 -3.33 115.31 114.55 2dgq h LEU 82 Ca -0.12 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2dgq h LEU 82 Cb 1.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2dgq h LEU 82 CO -0.02 1.39 -0.98 0.35 0.09 0.00 0.00 178.44 179.28 2dgq n THR 83 N -3.72 0.00 -1.94 0.22 -2.24 -1.26 -4.98 114.28 100.36 2dgq n THR 83 Ca -0.09 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 2dgq n THR 83 Cb 0.92 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 2dgq n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dgq n GLY 84 N 1.47 0.06 3.95 3.38 0.00 -1.23 -4.91 105.19 107.91 2dgq n GLY 84 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2dgq n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dgq s LEU 85 N -4.44 4.09 -0.45 0.99 1.43 -1.26 -4.68 118.68 114.36 2dgq s LEU 85 Ca 0.00 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.17 2dgq s LEU 85 Cb 0.00 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 2dgq s LEU 85 CO 0.00 -0.24 2.23 -2.28 0.23 0.00 0.00 176.35 176.29 2dgq s HIS 86 N -2.22 1.25 0.26 0.29 5.65 -1.26 -2.13 115.29 117.13 2dgq s HIS 86 Ca 0.38 1.18 -0.05 0.00 0.25 0.00 0.00 55.06 56.83 2dgq s HIS 86 Cb -0.09 -3.78 0.30 0.00 -1.18 0.00 0.00 32.58 27.83 2dgq s HIS 86 CO 0.34 -2.79 1.88 0.87 -0.65 0.00 0.00 174.74 174.40 2dgq h LYS 87 N 17.46 1.16 0.00 2.88 1.57 -1.91 -3.47 116.57 134.26 2dgq h LYS 87 Ca -0.28 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2dgq h LYS 87 Cb 1.24 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2dgq h LYS 87 CO 1.13 0.84 0.00 0.41 -0.57 0.00 0.00 179.45 181.26 2dgq n GLY 88 N -1.18 0.99 3.47 3.86 0.00 -1.26 -5.04 105.19 106.03 2dgq n GLY 88 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 2dgq n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgq s ALA 90 N -2.59 -0.89 -0.41 0.00 0.00 -0.80 0.01 121.76 117.08 2dgq s ALA 90 Ca -0.04 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 2dgq s ALA 90 Cb -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.71 2dgq s ALA 90 CO -0.03 -0.20 0.53 -0.06 0.00 0.00 0.00 175.76 176.00 2dgq s PHE 91 N -0.21 3.13 -0.12 0.00 0.08 0.19 -1.96 117.98 119.09 2dgq s PHE 91 Ca -0.04 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 2dgq s PHE 91 Cb -0.03 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 2dgq s PHE 91 CO 0.02 -0.73 0.08 -1.17 -0.10 0.00 0.00 175.22 173.31 2dgq s LEU 92 N 2.44 4.02 -0.02 -0.37 2.96 0.69 -2.10 118.68 126.31 2dgq s LEU 92 Ca 0.17 0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.44 2dgq s LEU 92 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2dgq s LEU 92 CO 0.16 0.36 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.46 2dgq s THR 93 N -0.78 1.62 -0.07 3.68 2.01 -0.15 -0.13 115.64 121.83 2dgq s THR 93 Ca 0.13 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2dgq s THR 93 Cb -0.12 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 2dgq s THR 93 CO 0.03 0.46 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.96 2dgq s TYR 94 N -0.45 2.71 0.21 4.92 2.02 -1.24 -1.08 117.35 124.43 2dgq s TYR 94 Ca 0.07 -0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 56.40 2dgq s TYR 94 Cb -0.08 -1.67 0.16 0.00 -0.40 0.00 0.00 41.96 39.96 2dgq s TYR 94 CO -0.01 0.08 1.80 0.00 -1.57 0.00 0.00 175.55 175.85 2dgq s ALA 96 N -5.65 4.08 -0.18 0.00 0.00 -1.26 -1.08 121.76 117.67 2dgq s ALA 96 Ca -0.13 -1.85 0.13 0.00 0.00 0.00 0.00 51.96 50.12 2dgq s ALA 96 Cb 0.15 -1.81 -0.23 0.00 0.00 0.00 0.00 23.12 21.23 2dgq s ALA 96 CO 0.83 -1.18 0.14 2.89 0.00 0.00 0.00 175.76 178.43 2dgq n ARG 97 N -2.58 0.68 -0.03 0.00 1.85 -1.26 -4.24 116.66 111.08 2dgq n ARG 97 Ca 0.15 0.08 -0.14 0.00 -1.00 0.00 0.00 57.85 56.95 2dgq n ARG 97 Cb 0.61 -1.58 -0.10 0.00 -1.05 0.00 0.00 32.46 30.34 2dgq n ARG 97 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2dgq h ASP 98 N 0.00 0.14 -0.99 2.89 2.03 -1.96 -3.22 116.42 115.31 2dgq h ASP 98 Ca -0.50 -0.59 0.25 0.00 -0.73 0.00 0.00 57.03 55.46 2dgq h ASP 98 Cb 2.14 -0.04 -0.19 0.00 -0.83 0.00 0.00 39.33 40.41 2dgq h ASP 98 CO 0.02 0.71 -0.08 0.28 -1.03 0.00 0.00 179.24 179.14 2dgq h SER 99 N -0.41 -0.65 0.09 4.15 0.02 -1.91 0.40 113.55 115.24 2dgq h SER 99 Ca -0.00 0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2dgq h SER 99 Cb 0.69 0.54 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 2dgq h SER 99 CO 0.02 -0.35 -0.05 0.00 -1.14 0.00 0.00 176.83 175.31 2dgq h ALA 100 N 1.99 -0.13 -0.43 3.77 0.00 -1.77 -0.10 119.26 122.59 2dgq h ALA 100 Ca 0.56 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.51 2dgq h ALA 100 Cb 1.05 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2dgq h ALA 100 CO -0.97 -0.58 0.06 -0.07 0.00 0.00 0.00 179.25 177.69 2dgq h LEU 101 N -0.14 -0.06 0.08 0.00 3.38 -0.30 0.36 115.31 118.63 2dgq h LEU 101 Ca -0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dgq h LEU 101 Cb 0.11 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2dgq h LEU 101 CO 0.01 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.62 2dgq h LYS 102 N 0.18 -0.10 -0.54 1.13 1.57 -0.85 0.85 116.57 118.81 2dgq h LYS 102 Ca 0.21 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.16 2dgq h LYS 102 Cb 0.28 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2dgq h LYS 102 CO -0.30 -0.07 0.66 0.00 -0.57 0.00 0.00 179.45 179.17 2dgq h ALA 103 N -1.94 2.29 0.07 3.86 0.00 -0.99 0.96 119.26 123.51 2dgq h ALA 103 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dgq h ALA 103 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dgq h ALA 103 CO 0.02 -0.94 -0.03 0.37 0.00 0.00 0.00 179.25 178.66 2dgq h GLN 104 N 0.00 -0.09 0.00 0.00 4.15 -0.06 -2.00 115.11 117.11 2dgq h GLN 104 Ca 0.26 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.68 2dgq h GLN 104 Cb 1.58 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.29 2dgq h GLN 104 CO -0.00 -0.06 0.00 0.45 -1.93 0.00 0.00 178.83 177.29 2dgq n SER 105 N -3.33 0.00 -0.02 -0.69 2.88 0.27 0.39 113.62 113.12 2dgq n SER 105 Ca -0.01 -0.07 0.08 0.00 -1.33 0.00 0.00 58.87 57.54 2dgq n SER 105 Cb 0.04 -0.23 -0.17 0.00 -0.75 0.00 0.00 64.21 63.10 2dgq n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dgq n ALA 106 N -1.23 2.65 -0.06 -1.46 0.00 0.33 -4.66 120.51 116.07 2dgq n ALA 106 Ca 0.09 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 2dgq n ALA 106 Cb 0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 2dgq n ALA 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dgq n LEU 107 N -2.32 1.41 -4.30 0.00 4.77 -0.75 -4.53 117.00 111.28 2dgq n LEU 107 Ca -0.08 0.11 -0.57 0.00 -0.03 0.00 0.00 56.01 55.44 2dgq n LEU 107 Cb 0.64 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 2dgq n LEU 107 CO 0.46 0.38 1.80 1.57 -1.33 0.00 0.00 177.39 180.26 2dgq n HIS 108 N -3.41 1.15 -3.82 -1.77 -0.00 0.16 0.13 115.22 107.66 2dgq n HIS 108 Ca -0.25 0.66 -0.28 0.00 0.46 0.00 0.00 57.72 58.32 2dgq n HIS 108 Cb 0.69 -2.33 0.04 0.00 -0.12 0.00 0.00 29.99 28.27 2dgq n HIS 108 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2dgq n GLU 109 N 7.70 -5.95 0.00 1.57 1.02 -0.35 -4.83 120.64 119.80 2dgq n GLU 109 Ca 0.54 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 58.33 2dgq n GLU 109 Cb 0.00 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 25.89 2dgq n GLU 109 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2dgq n GLN 110 N -4.69 0.00 -3.03 3.49 -0.06 0.36 -4.99 117.38 108.45 2dgq n GLN 110 Ca -0.01 0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.82 2dgq n GLN 110 Cb 0.55 -0.48 0.01 0.00 -4.06 0.00 0.00 30.24 26.26 2dgq n GLN 110 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2dgq s LYS 111 N -1.73 2.84 -0.25 3.69 -0.14 -1.06 -4.98 119.74 118.12 2dgq s LYS 111 Ca 0.00 -1.23 -0.02 0.00 -1.36 0.00 0.00 55.97 53.36 2dgq s LYS 111 Cb 0.00 -2.76 0.12 0.00 -1.68 0.00 0.00 37.83 33.50 2dgq s LYS 111 CO 0.00 -0.25 0.26 0.99 -0.76 0.00 0.00 175.35 175.59 2dgq s THR 112 N -2.34 -0.38 0.77 2.17 2.01 -1.26 -1.37 115.64 115.24 2dgq s THR 112 Ca 0.55 -0.29 -0.14 0.00 0.31 0.00 0.00 61.69 62.12 2dgq s THR 112 Cb -0.10 -0.83 0.06 0.00 0.01 0.00 0.00 72.50 71.64 2dgq s THR 112 CO 0.33 -0.32 1.20 -0.76 -0.69 0.00 0.00 174.62 174.37 2dgq s LEU 113 N 2.36 3.21 -0.33 4.42 1.43 -1.26 -4.90 118.68 123.60 2dgq s LEU 113 Ca 0.09 2.32 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 2dgq s LEU 113 Cb -0.15 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.47 2dgq s LEU 113 CO -0.22 -2.45 1.69 -2.16 0.23 0.00 0.00 176.35 173.44 2dgq s PRO 114 N -4.09 3.45 0.00 1.29 0.04 -1.26 -2.33 135.00 132.10 2dgq s PRO 114 Ca 0.73 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2dgq s PRO 114 Cb -0.28 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2dgq s PRO 114 CO 0.48 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 176.22 2dgq n GLY 115 N 5.26 0.90 3.23 0.56 0.00 -1.26 -5.03 105.19 108.84 2dgq n GLY 115 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2dgq n GLY 115 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dgq s MET 116 N -0.38 2.52 0.41 1.61 -1.94 -0.99 -4.97 119.30 115.57 2dgq s MET 116 Ca 0.00 -1.24 0.12 0.00 -1.71 0.00 0.00 55.69 52.86 2dgq s MET 116 Cb 0.00 -3.35 0.96 0.00 2.01 0.00 0.00 34.83 34.45 2dgq s MET 116 CO 0.00 -0.67 1.96 -0.97 -0.01 0.00 0.00 175.02 175.33 2dgq h ASN 117 N 8.12 0.45 -3.01 3.03 -0.73 -1.98 -3.42 115.58 118.04 2dgq h ASN 117 Ca -0.22 0.01 -0.51 0.00 1.87 0.00 0.00 56.30 57.45 2dgq h ASN 117 Cb 1.07 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.57 2dgq h ASN 117 CO 0.58 0.27 -0.21 -0.13 -0.37 0.00 0.00 177.43 177.57 2dgq s ARG 118 N -5.47 3.57 1.14 6.67 0.52 -1.26 -5.09 118.95 119.03 2dgq s ARG 118 Ca -0.08 -0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 54.79 2dgq s ARG 118 Cb 0.20 -2.70 0.26 0.00 0.52 0.00 0.00 34.95 33.22 2dgq s ARG 118 CO 0.76 0.25 1.11 -1.25 0.02 0.00 0.00 175.30 176.18 2dgq s PRO 119 N -3.66 -0.75 -0.14 3.54 0.04 -1.26 -4.59 135.00 128.17 2dgq s PRO 119 Ca 0.41 0.10 -0.23 0.00 0.04 0.00 0.00 61.00 61.32 2dgq s PRO 119 Cb -0.11 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 2dgq s PRO 119 CO 0.31 -3.43 0.72 -1.50 0.04 0.00 0.00 177.00 173.14 2dgq s ILE 120 N -3.00 4.98 -0.28 0.56 2.07 -0.47 -4.84 121.20 120.22 2dgq s ILE 120 Ca 0.69 1.43 -0.13 0.00 -1.41 0.00 0.00 60.65 61.23 2dgq s ILE 120 Cb -0.12 -4.04 -0.04 0.00 0.13 0.00 0.00 42.46 38.38 2dgq s ILE 120 CO 0.57 0.13 0.27 -1.10 -1.91 0.00 0.00 174.94 172.89 2dgq s GLN 121 N 1.60 3.97 -0.13 3.50 1.11 -1.26 -1.21 119.66 127.23 2dgq s GLN 121 Ca 0.35 -0.18 -0.00 0.00 0.01 0.00 0.00 55.36 55.53 2dgq s GLN 121 Cb -0.17 -3.66 0.03 0.00 -1.01 0.00 0.00 33.01 28.20 2dgq s GLN 121 CO 0.14 -0.23 -0.07 0.08 0.01 0.00 0.00 175.29 175.22 2dgq s VAL 122 N 1.89 1.06 0.07 1.09 1.01 -1.26 -2.05 120.40 122.21 2dgq s VAL 122 Ca 0.10 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2dgq s VAL 122 Cb -0.16 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2dgq s VAL 122 CO 0.11 0.27 -0.22 -1.59 0.00 0.00 0.00 175.10 173.67 2dgq s LYS 123 N 1.68 1.31 -1.12 2.72 -2.85 -0.92 -4.60 119.74 115.95 2dgq s LYS 123 Ca 0.03 -1.08 -0.23 0.00 -1.00 0.00 0.00 55.97 53.70 2dgq s LYS 123 Cb -0.14 -1.52 -0.08 0.00 -2.06 0.00 0.00 37.83 34.04 2dgq s LYS 123 CO -0.08 0.37 1.94 -1.25 0.10 0.00 0.00 175.35 176.43 2dgq s PRO 124 N -1.55 2.50 -0.87 1.78 0.04 -1.26 -0.09 135.00 135.55 2dgq s PRO 124 Ca 0.08 -0.97 -0.18 0.00 0.04 0.00 0.00 61.00 59.96 2dgq s PRO 124 Cb -0.09 -5.20 -0.24 0.00 0.04 0.00 0.00 34.50 29.00 2dgq s PRO 124 CO 0.03 -3.86 2.13 0.00 0.04 0.00 0.00 177.00 175.34 2dgq n ALA 125 N 14.32 0.59 -3.84 8.56 0.00 0.29 -4.85 120.51 135.58 2dgq n ALA 125 Ca 0.44 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 2dgq n ALA 125 Cb 0.47 -2.02 -0.17 0.00 0.00 0.00 0.00 19.45 17.72 2dgq n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dgq s ALA 126 N 4.25 1.30 0.04 0.00 0.00 -1.26 -4.45 121.76 121.65 2dgq s ALA 126 Ca 1.17 -0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.38 2dgq s ALA 126 Cb -0.93 -0.86 -0.16 0.00 0.00 0.00 0.00 23.12 21.18 2dgq s ALA 126 CO 0.46 -0.34 1.51 1.03 0.00 0.00 0.00 175.76 178.42 2dgq h SER 127 N 8.00 0.09 -3.62 0.00 0.87 -2.01 -3.40 113.55 113.48 2dgq h SER 127 Ca -0.30 -0.26 -0.69 0.00 -1.23 0.00 0.00 61.79 59.32 2dgq h SER 127 Cb 1.14 -0.02 -0.25 0.00 -0.44 0.00 0.00 62.40 62.83 2dgq h SER 127 CO 0.42 0.32 -0.56 -1.61 -0.53 0.00 0.00 176.83 174.86 2dgq s GLU 128 N -5.18 3.05 -0.01 2.24 0.41 -1.26 -5.09 118.70 112.86 2dgq s GLU 128 Ca -0.14 -0.91 -0.05 0.00 -0.41 0.00 0.00 54.97 53.46 2dgq s GLU 128 Cb 0.05 -3.56 -0.04 0.00 -1.78 0.00 0.00 34.13 28.79 2dgq s GLU 128 CO 0.68 -0.54 0.23 0.20 -0.49 0.00 0.00 175.26 175.34 2dgq s GLY 129 N 1.55 2.22 0.13 -1.39 0.00 -1.26 -5.09 107.32 103.47 2dgq s GLY 129 Ca 0.03 -0.65 -0.23 0.00 0.00 0.00 0.00 44.72 43.87 2dgq s GLY 129 CO 0.05 -0.49 0.70 0.50 0.00 0.00 0.00 173.10 173.86 2dgq s ARG 130 N -1.77 4.43 0.00 2.90 3.00 -1.26 -4.98 118.95 121.27 2dgq s ARG 130 Ca 0.26 1.00 0.00 0.00 0.00 0.00 0.00 55.73 57.00 2dgq s ARG 130 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.56 2dgq s ARG 130 CO 0.16 0.59 0.00 0.41 0.00 0.00 0.00 175.30 176.46 2dgq n GLY 131 N 1.67 -0.61 3.18 -3.53 0.00 -1.26 -5.16 105.19 99.48 2dgq n GLY 131 Ca -0.07 0.66 -0.28 0.00 0.00 0.00 0.00 46.02 46.33 2dgq n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dgq n GLU 132 N 0.00 -2.04 -1.20 1.61 1.02 -1.26 -4.90 120.64 113.86 2dgq n GLU 132 Ca 0.00 -0.59 -0.34 0.00 -0.02 0.00 0.00 57.16 56.21 2dgq n GLU 132 Cb 0.00 -1.63 0.12 0.00 -0.02 0.00 0.00 31.44 29.91 2dgq n GLU 132 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2dgq s SER 133 N -1.95 3.74 0.00 1.62 0.01 -1.26 -4.95 113.70 110.91 2dgq s SER 133 Ca 0.50 2.38 0.00 0.00 1.31 0.00 0.00 55.95 60.14 2dgq s SER 133 Cb -0.09 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2dgq s SER 133 CO 0.55 -2.57 0.03 0.61 0.41 0.00 0.00 173.24 172.27 2dgq n GLY 134 N 0.50 -0.23 3.77 3.44 0.00 -1.26 -4.56 105.19 106.85 2dgq n GLY 134 Ca 0.14 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2dgq n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dgq s PRO 135 N -0.07 3.54 0.03 1.61 0.04 -1.26 -4.99 135.00 133.89 2dgq s PRO 135 Ca 0.00 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 2dgq s PRO 135 Cb 0.00 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2dgq s PRO 135 CO 0.00 -0.72 -0.08 0.45 0.04 0.00 0.00 177.00 176.69 2dgq n SER 136 N -0.94 1.24 0.33 6.66 2.88 -1.26 -4.86 113.62 117.66 2dgq n SER 136 Ca 0.10 0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.67 2dgq n SER 136 Cb 0.50 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 63.48 2dgq n SER 136 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dgq h SER 137 N -0.23 -0.74 -0.01 -3.46 4.64 -1.99 -3.53 113.55 108.23 2dgq h SER 137 Ca -0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dgq h SER 137 Cb 0.31 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2dgq h SER 137 CO -0.01 -0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.21