#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd4 s VAL 24 N 0.00 4.49 0.70 2.62 -7.23 -1.26 -5.06 120.40 114.65 2dd4 s VAL 24 Ca 0.00 1.37 -0.05 0.00 -1.81 0.00 0.00 61.98 61.49 2dd4 s VAL 24 Cb 0.00 -3.83 0.08 0.00 0.56 0.00 0.00 36.38 33.19 2dd4 s VAL 24 CO 0.00 0.08 0.99 -0.94 -0.31 0.00 0.00 175.10 174.92 2dd4 s SER 25 N -1.79 4.69 0.42 4.85 1.04 -1.26 -4.93 113.70 116.71 2dd4 s SER 25 Ca 0.48 0.20 0.14 0.00 0.48 0.00 0.00 55.95 57.25 2dd4 s SER 25 Cb -0.15 -0.81 0.88 0.00 0.10 0.00 0.00 66.02 66.04 2dd4 s SER 25 CO 0.20 -1.64 1.92 0.44 0.98 0.00 0.00 173.24 175.14 2dd4 h ASP 26 N -0.53 0.00 -0.43 7.02 3.32 -1.99 -2.01 116.42 121.80 2dd4 h ASP 26 Ca -0.43 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 2dd4 h ASP 26 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 2dd4 h ASP 26 CO 0.53 0.26 -0.25 -0.26 -1.72 0.00 0.00 179.24 177.81 2dd4 h PHE 27 N 0.00 1.07 -0.20 4.55 0.04 -1.99 -1.45 116.94 118.96 2dd4 h PHE 27 Ca -0.00 -0.28 -0.14 0.00 2.80 0.00 0.00 57.97 60.35 2dd4 h PHE 27 Cb 0.46 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2dd4 h PHE 27 CO 0.00 1.08 -0.48 0.93 -0.60 0.00 0.00 178.31 179.25 2dd4 h GLU 28 N 0.75 0.52 -0.07 1.51 5.08 -1.82 0.74 114.58 121.29 2dd4 h GLU 28 Ca 0.09 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2dd4 h GLU 28 Cb 0.82 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2dd4 h GLU 28 CO 0.07 0.88 0.01 0.82 -1.00 0.00 0.00 179.01 179.80 2dd4 h ILE 29 N 0.42 1.20 -0.42 3.13 1.08 -1.30 -2.44 117.51 119.17 2dd4 h ILE 29 Ca 0.02 -0.61 -0.08 0.00 -0.39 0.00 0.00 64.86 63.80 2dd4 h ILE 29 Cb 0.99 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 2dd4 h ILE 29 CO 0.09 0.17 -0.09 0.25 -0.69 0.00 0.00 178.15 177.88 2dd4 h LEU 30 N -0.11 0.72 -0.23 1.44 5.85 -1.17 -1.93 115.31 119.87 2dd4 h LEU 30 Ca 0.02 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2dd4 h LEU 30 Cb 0.26 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2dd4 h LEU 30 CO 0.00 0.84 0.15 -0.08 -0.34 0.00 0.00 178.44 179.01 2dd4 h GLU 31 N 0.67 0.30 -0.66 1.25 4.22 -0.75 -0.47 114.58 119.14 2dd4 h GLU 31 Ca 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.53 2dd4 h GLU 31 Cb 0.54 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2dd4 h GLU 31 CO 0.03 0.20 0.35 0.52 -2.18 0.00 0.00 179.01 177.93 2dd4 h MET 32 N 0.31 0.92 0.02 1.92 2.86 -1.29 -1.40 114.93 118.27 2dd4 h MET 32 Ca 0.08 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2dd4 h MET 32 Cb -0.03 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 2dd4 h MET 32 CO -0.02 0.71 -0.04 0.00 1.06 0.00 0.00 176.91 178.62 2dd4 h ALA 33 N 1.17 -0.06 -0.29 6.32 0.00 -0.91 -1.26 119.26 124.22 2dd4 h ALA 33 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2dd4 h ALA 33 Cb 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2dd4 h ALA 33 CO -0.03 -0.54 0.15 0.28 0.00 0.00 0.00 179.25 179.10 2dd4 h VAL 34 N -0.08 1.14 -0.27 0.00 2.07 -0.95 -1.88 116.25 116.28 2dd4 h VAL 34 Ca 0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2dd4 h VAL 34 Cb 0.09 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2dd4 h VAL 34 CO -0.03 0.14 0.12 -0.09 0.02 0.00 0.00 177.57 177.73 2dd4 h ARG 35 N 0.34 0.40 -0.62 1.57 2.43 -1.16 -1.26 114.38 116.08 2dd4 h ARG 35 Ca 0.10 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2dd4 h ARG 35 Cb 0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2dd4 h ARG 35 CO -0.01 0.41 0.28 0.93 -1.51 0.00 0.00 179.97 180.07 2dd4 h GLU 36 N 0.30 0.90 -0.43 0.20 5.08 -1.19 -1.72 114.58 117.72 2dd4 h GLU 36 Ca 0.09 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2dd4 h GLU 36 Cb 0.15 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2dd4 h GLU 36 CO -0.01 0.74 0.18 -0.07 -1.00 0.00 0.00 179.01 178.85 2dd4 h LEU 37 N 0.85 0.59 -0.44 1.33 3.38 -1.23 0.71 115.31 120.49 2dd4 h LEU 37 Ca 0.21 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2dd4 h LEU 37 Cb 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2dd4 h LEU 37 CO -0.02 0.59 0.28 0.00 0.09 0.00 0.00 178.44 179.37 2dd4 h ALA 38 N 1.02 0.56 -0.18 1.53 0.00 -1.01 -0.19 119.26 120.99 2dd4 h ALA 38 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2dd4 h ALA 38 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2dd4 h ALA 38 CO -0.01 -0.02 0.00 0.82 0.00 0.00 0.00 179.25 180.04 2dd4 h ILE 39 N 0.56 1.25 -0.98 0.00 2.04 -1.15 0.60 117.51 119.84 2dd4 h ILE 39 Ca 0.17 -0.84 0.08 0.00 1.00 0.00 0.00 64.86 65.27 2dd4 h ILE 39 Cb -0.04 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 2dd4 h ILE 39 CO -0.05 0.25 0.62 -0.33 0.00 0.00 0.00 178.15 178.64 2dd4 h GLU 40 N 0.07 1.05 -0.00 2.37 5.08 -0.62 0.67 114.58 123.20 2dd4 h GLU 40 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dd4 h GLU 40 Cb 0.38 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2dd4 h GLU 40 CO 0.01 0.70 -0.00 1.63 -1.00 0.00 0.00 179.01 180.34 2dd4 n LYS 41 N -4.56 1.09 -2.19 2.33 4.76 -0.10 -4.91 118.16 114.58 2dd4 n LYS 41 Ca 0.16 -0.18 -0.11 0.00 -2.87 0.00 0.00 58.31 55.31 2dd4 n LYS 41 Cb 0.24 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.92 2dd4 n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dd4 n GLY 42 N 1.05 -0.06 0.21 0.72 0.00 0.23 -4.92 105.19 102.42 2dd4 n GLY 42 Ca 0.23 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2dd4 n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dd4 h LEU 43 N 0.00 0.88 -7.48 0.99 3.38 -1.11 -3.46 115.31 108.51 2dd4 h LEU 43 Ca -0.27 -0.61 -0.08 0.00 0.09 0.00 0.00 57.88 57.02 2dd4 h LEU 43 Cb 1.19 -0.26 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 2dd4 h LEU 43 CO 0.32 1.40 -0.17 0.72 0.09 0.00 0.00 178.44 180.81 2dd4 s PHE 44 N -3.63 -0.16 0.44 1.13 -0.12 -1.25 -5.05 117.98 109.33 2dd4 s PHE 44 Ca -0.10 -0.02 -0.02 0.00 -0.05 0.00 0.00 56.93 56.75 2dd4 s PHE 44 Cb 0.08 0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.62 2dd4 s PHE 44 CO 0.90 -0.58 0.68 -1.54 -0.05 0.00 0.00 175.22 174.63 2dd4 s SER 45 N -2.31 6.12 0.40 1.98 1.04 -1.26 -4.09 113.70 115.58 2dd4 s SER 45 Ca -0.02 0.59 0.06 0.00 0.48 0.00 0.00 55.95 57.06 2dd4 s SER 45 Cb 0.00 -1.96 0.82 0.00 0.10 0.00 0.00 66.02 64.99 2dd4 s SER 45 CO -0.06 -0.55 2.04 0.00 0.98 0.00 0.00 173.24 175.65 2dd4 h ALA 46 N 0.42 1.67 -0.47 5.32 0.00 -1.98 -1.07 119.26 123.14 2dd4 h ALA 46 Ca -0.48 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 2dd4 h ALA 46 Cb 1.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2dd4 h ALA 46 CO 0.60 0.30 -0.19 1.49 0.00 0.00 0.00 179.25 181.46 2dd4 h GLU 47 N 0.58 0.94 -0.41 0.00 4.81 -1.99 -2.51 114.58 116.00 2dd4 h GLU 47 Ca 0.15 -0.38 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 2dd4 h GLU 47 Cb -0.04 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2dd4 h GLU 47 CO -0.03 1.04 0.19 -0.44 -0.73 0.00 0.00 179.01 179.04 2dd4 h ASP 48 N 0.82 0.25 -0.65 1.04 3.32 -1.58 0.14 116.42 119.76 2dd4 h ASP 48 Ca 0.11 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2dd4 h ASP 48 Cb 0.74 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2dd4 h ASP 48 CO 0.06 0.19 0.32 -0.74 -1.72 0.00 0.00 179.24 177.35 2dd4 h HIS 49 N 0.38 0.93 -0.36 4.55 2.76 -1.33 0.47 115.15 122.54 2dd4 h HIS 49 Ca 0.18 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 2dd4 h HIS 49 Cb 0.12 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 2dd4 h HIS 49 CO -0.12 0.69 -0.11 0.00 -1.30 0.00 0.00 177.93 177.10 2dd4 h ARG 50 N 0.89 0.71 -0.76 5.26 3.08 -1.09 -1.88 114.38 120.59 2dd4 h ARG 50 Ca 0.22 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2dd4 h ARG 50 Cb 0.10 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2dd4 h ARG 50 CO -0.03 0.87 0.46 0.28 -1.07 0.00 0.00 179.97 180.48 2dd4 h VAL 51 N 0.50 1.21 -0.26 2.04 2.07 -0.44 0.05 116.25 121.43 2dd4 h VAL 51 Ca 0.09 -0.46 -0.18 0.00 0.82 0.00 0.00 66.70 66.96 2dd4 h VAL 51 Cb 0.63 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2dd4 h VAL 51 CO 0.04 0.22 -0.56 -0.25 0.02 0.00 0.00 177.57 177.05 2dd4 h TRP 52 N 1.04 0.98 -0.55 1.57 2.91 -0.72 -1.61 115.95 119.58 2dd4 h TRP 52 Ca 0.27 -0.35 -0.09 0.00 1.13 0.00 0.00 58.89 59.85 2dd4 h TRP 52 Cb -0.04 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.40 2dd4 h TRP 52 CO 0.00 1.16 -0.01 0.87 -1.03 0.00 0.00 178.44 179.43 2dd4 h LYS 53 N 0.60 0.95 -0.30 2.65 1.57 -0.94 -0.55 116.57 120.55 2dd4 h LYS 53 Ca 0.01 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2dd4 h LYS 53 Cb 1.15 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2dd4 h LYS 53 CO 0.12 0.94 0.19 -0.44 -0.57 0.00 0.00 179.45 179.69 2dd4 h ASP 54 N 0.87 0.35 -0.17 0.86 3.32 -0.86 -0.48 116.42 120.32 2dd4 h ASP 54 Ca 0.16 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.20 2dd4 h ASP 54 Cb 0.52 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2dd4 h ASP 54 CO 0.03 0.28 0.01 0.22 -1.72 0.00 0.00 179.24 178.06 2dd4 h TYR 55 N 0.39 0.02 -0.91 4.55 3.20 -0.95 -2.05 116.97 121.22 2dd4 h TYR 55 Ca 0.11 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.06 2dd4 h TYR 55 Cb -0.01 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2dd4 h TYR 55 CO -0.05 -0.01 0.59 0.28 -1.64 0.00 0.00 178.16 177.33 2dd4 h VAL 56 N 0.07 1.03 0.00 1.81 2.07 -0.77 -0.89 116.25 119.58 2dd4 h VAL 56 Ca 0.08 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2dd4 h VAL 56 Cb 0.08 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2dd4 h VAL 56 CO -0.12 0.18 -0.05 -0.74 0.02 0.00 0.00 177.57 176.86 2dd4 h HIS 57 N 0.99 0.00 -0.00 1.57 -0.00 -0.38 -1.99 115.15 115.34 2dd4 h HIS 57 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.77 2dd4 h HIS 57 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 2dd4 h HIS 57 CO -0.00 0.05 -0.41 0.25 -0.00 0.00 0.00 177.93 177.82 2dd4 n THR 58 N -3.32 0.00 -2.70 6.26 -2.24 -0.35 -4.92 114.28 107.01 2dd4 n THR 58 Ca -0.01 -0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 2dd4 n THR 58 Cb 0.21 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 2dd4 n THR 58 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dd4 s LEU 59 N -2.99 3.87 0.00 3.22 1.43 -0.75 -5.04 118.68 118.41 2dd4 s LEU 59 Ca 0.12 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 2dd4 s LEU 59 Cb 0.18 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.86 2dd4 s LEU 59 CO 0.67 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 177.40 2dd4 n GLY 60 N -0.78 -0.95 0.02 -3.19 0.00 -1.26 -4.77 105.19 94.26 2dd4 n GLY 60 Ca 0.07 -1.01 0.14 0.00 0.00 0.00 0.00 46.02 45.23 2dd4 n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dd4 n PRO 61 N -0.03 0.25 -0.18 1.61 -0.04 -0.93 -3.24 135.00 132.43 2dd4 n PRO 61 Ca 0.00 -0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.40 2dd4 n PRO 61 Cb 0.00 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 2dd4 n PRO 61 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dd4 h LEU 62 N 0.10 0.28 -0.75 1.53 3.38 -1.88 -1.64 115.31 116.33 2dd4 h LEU 62 Ca 0.00 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2dd4 h LEU 62 Cb 0.41 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2dd4 h LEU 62 CO 0.00 0.18 0.36 -0.65 0.09 0.00 0.00 178.44 178.42 2dd4 h PRO 63 N 0.44 1.08 -0.56 1.13 0.11 -1.75 -1.52 132.00 130.93 2dd4 h PRO 63 Ca 0.26 -0.16 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 2dd4 h PRO 63 Cb 0.26 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 2dd4 h PRO 63 CO -0.24 0.84 0.09 0.00 -0.21 0.00 0.00 178.00 178.49 2dd4 h ALA 64 N 1.18 1.11 -0.49 -0.75 0.00 -1.18 -1.45 119.26 117.68 2dd4 h ALA 64 Ca 0.26 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2dd4 h ALA 64 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2dd4 h ALA 64 CO -0.03 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.79 2dd4 h ALA 65 N 1.25 1.05 -0.25 0.00 0.00 -0.91 -2.32 119.26 118.09 2dd4 h ALA 65 Ca 0.17 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2dd4 h ALA 65 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2dd4 h ALA 65 CO 0.01 0.59 -0.39 0.00 0.00 0.00 0.00 179.25 179.46 2dd4 h ARG 66 N 0.77 0.57 -0.68 0.00 3.08 -0.85 -1.41 114.38 115.85 2dd4 h ARG 66 Ca 0.15 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2dd4 h ARG 66 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2dd4 h ARG 66 CO 0.02 0.86 0.36 1.25 -1.07 0.00 0.00 179.97 181.40 2dd4 h LEU 67 N 0.47 0.86 -0.18 3.04 6.46 -0.95 0.78 115.31 125.80 2dd4 h LEU 67 Ca 0.04 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 2dd4 h LEU 67 Cb 0.88 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 2dd4 h LEU 67 CO 0.08 0.72 0.05 0.58 -0.62 0.00 0.00 178.44 179.25 2dd4 h VAL 68 N 0.94 1.20 -0.41 1.05 2.07 -1.17 -1.10 116.25 118.83 2dd4 h VAL 68 Ca 0.24 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2dd4 h VAL 68 Cb 0.06 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2dd4 h VAL 68 CO -0.04 0.19 0.22 0.00 0.02 0.00 0.00 177.57 177.96 2dd4 h ALA 69 N 0.86 0.51 -0.71 1.67 0.00 -0.95 -0.45 119.26 120.20 2dd4 h ALA 69 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2dd4 h ALA 69 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2dd4 h ALA 69 CO -0.00 -0.13 0.30 0.87 0.00 0.00 0.00 179.25 180.28 2dd4 h LYS 70 N 0.44 1.03 -0.50 0.00 1.57 -0.76 -1.76 116.57 116.60 2dd4 h LYS 70 Ca 0.17 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2dd4 h LYS 70 Cb 0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2dd4 h LYS 70 CO -0.11 0.83 0.13 0.00 -0.57 0.00 0.00 179.45 179.73 2dd4 h ALA 71 N 1.31 0.65 -0.51 3.86 0.00 -0.61 0.18 119.26 124.13 2dd4 h ALA 71 Ca 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2dd4 h ALA 71 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2dd4 h ALA 71 CO -0.02 0.33 0.25 -1.49 0.00 0.00 0.00 179.25 178.32 2dd4 h TRP 72 N 0.68 0.70 -0.01 0.00 6.55 -0.67 -2.77 115.95 120.43 2dd4 h TRP 72 Ca 0.16 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.98 2dd4 h TRP 72 Cb 0.31 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.39 2dd4 h TRP 72 CO 0.02 0.51 -0.24 1.28 -1.05 0.00 0.00 178.44 178.97 2dd4 n LEU 73 N -4.38 0.97 -3.44 -4.49 4.77 -0.70 -4.73 117.00 104.99 2dd4 n LEU 73 Ca 0.04 -0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 55.59 2dd4 n LEU 73 Cb 0.12 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 2dd4 n LEU 73 CO 0.37 0.18 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.78 2dd4 s ASP 74 N -2.49 2.14 0.42 -1.43 -1.08 0.01 -5.03 116.67 109.21 2dd4 s ASP 74 Ca 0.25 -0.87 0.17 0.00 -0.52 0.00 0.00 52.55 51.58 2dd4 s ASP 74 Cb 0.19 0.28 1.08 0.00 -1.46 0.00 0.00 42.92 43.01 2dd4 s ASP 74 CO 0.51 -0.40 1.87 -0.65 0.52 0.00 0.00 175.17 177.02 2dd4 h PRO 75 N 8.30 0.40 -0.18 4.34 0.11 -1.85 -0.80 132.00 142.33 2dd4 h PRO 75 Ca -0.15 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.72 2dd4 h PRO 75 Cb 1.06 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.09 2dd4 h PRO 75 CO 0.36 0.26 -0.75 0.93 -0.21 0.00 0.00 178.00 178.60 2dd4 h GLU 76 N 0.41 0.82 -0.46 1.05 4.39 -1.96 -2.34 114.58 116.49 2dd4 h GLU 76 Ca 0.45 -0.64 -0.09 0.00 0.34 0.00 0.00 59.36 59.42 2dd4 h GLU 76 Cb 1.11 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 2dd4 h GLU 76 CO -0.17 1.25 -0.09 -0.92 -1.16 0.00 0.00 179.01 177.93 2dd4 h TYR 77 N 0.57 0.89 -0.71 4.33 3.20 -1.67 -2.03 116.97 121.55 2dd4 h TYR 77 Ca -0.04 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 61.68 2dd4 h TYR 77 Cb 1.38 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 2dd4 h TYR 77 CO 0.09 0.86 0.47 -0.22 -1.64 0.00 0.00 178.16 177.71 2dd4 h LYS 78 N 0.74 0.93 -0.90 1.82 3.64 -1.10 0.11 116.57 121.81 2dd4 h LYS 78 Ca 0.13 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2dd4 h LYS 78 Cb 0.57 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 2dd4 h LYS 78 CO 0.04 0.61 0.59 0.87 -2.27 0.00 0.00 179.45 179.29 2dd4 h LYS 79 N 0.95 1.17 -0.61 1.90 1.57 -0.97 -1.36 116.57 119.22 2dd4 h LYS 79 Ca 0.26 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2dd4 h LYS 79 Cb -0.10 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 31.92 2dd4 h LYS 79 CO -0.06 0.77 0.26 1.25 -0.57 0.00 0.00 179.45 181.10 2dd4 h LEU 80 N 1.20 0.83 -0.18 2.94 5.85 -0.57 -1.63 115.31 123.76 2dd4 h LEU 80 Ca 0.34 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2dd4 h LEU 80 Cb -0.11 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2dd4 h LEU 80 CO -0.08 0.76 0.06 0.00 -0.34 0.00 0.00 178.44 178.84 2dd4 h ILE 82 N 0.14 1.23 0.10 0.00 2.04 -1.12 -3.11 117.51 116.79 2dd4 h ILE 82 Ca 0.08 -0.85 -0.35 0.00 1.00 0.00 0.00 64.86 64.74 2dd4 h ILE 82 Cb 0.06 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2dd4 h ILE 82 CO -0.09 0.31 -1.90 -0.08 0.00 0.00 0.00 178.15 176.39 2dd4 h GLU 83 N 0.77 0.22 -2.41 2.37 4.57 -1.10 -3.44 114.58 115.56 2dd4 h GLU 83 Ca 0.17 -0.37 -0.59 0.00 -1.18 0.00 0.00 59.36 57.39 2dd4 h GLU 83 Cb 0.33 0.14 -0.38 0.00 -0.16 0.00 0.00 28.75 28.67 2dd4 h GLU 83 CO 0.00 1.07 -0.95 0.34 -1.18 0.00 0.00 179.01 178.29 2dd4 s ASP 84 N -6.86 1.74 0.29 1.04 -1.08 0.11 -5.00 116.67 106.91 2dd4 s ASP 84 Ca -0.18 -2.87 0.01 0.00 -0.52 0.00 0.00 52.55 48.99 2dd4 s ASP 84 Cb 0.07 -0.42 0.53 0.00 -1.46 0.00 0.00 42.92 41.64 2dd4 s ASP 84 CO 0.79 -0.20 1.87 1.23 0.52 0.00 0.00 175.17 179.38 2dd4 h GLY 85 N 5.94 1.50 0.98 2.66 0.00 -1.55 -1.87 103.07 110.73 2dd4 h GLY 85 Ca 0.22 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2dd4 h GLY 85 CO 0.35 0.24 0.19 -2.08 0.00 0.00 0.00 176.54 175.24 2dd4 h VAL 86 N 1.03 1.06 -0.32 4.60 2.07 -1.90 -0.15 116.25 122.64 2dd4 h VAL 86 Ca 0.45 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.79 2dd4 h VAL 86 Cb 0.35 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2dd4 h VAL 86 CO -0.21 0.07 0.02 -0.08 0.02 0.00 0.00 177.57 177.40 2dd4 h GLU 87 N 0.39 0.55 -0.53 1.57 4.57 -1.84 -2.96 114.58 116.34 2dd4 h GLU 87 Ca 0.11 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2dd4 h GLU 87 Cb -0.03 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 2dd4 h GLU 87 CO -0.03 0.67 0.35 0.00 -1.18 0.00 0.00 179.01 178.82 2dd4 h ALA 88 N 0.86 1.63 0.00 2.92 0.00 -1.13 -2.25 119.26 121.29 2dd4 h ALA 88 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dd4 h ALA 88 Cb 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dd4 h ALA 88 CO 0.01 0.35 -0.03 1.03 0.00 0.00 0.00 179.25 180.61 2dd4 h SER 89 N 0.71 0.00 -0.32 0.00 0.87 -0.85 -1.99 113.55 111.98 2dd4 h SER 89 Ca 0.19 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2dd4 h SER 89 Cb -0.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2dd4 h SER 89 CO -0.04 0.03 0.17 0.11 -0.53 0.00 0.00 176.83 176.57 2dd4 h LYS 90 N 0.00 0.48 0.00 2.24 1.57 -1.42 -1.88 116.57 117.56 2dd4 h LYS 90 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2dd4 h LYS 90 Cb 0.06 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2dd4 h LYS 90 CO 0.00 0.37 -0.01 0.00 -0.57 0.00 0.00 179.45 179.25 2dd4 h ALA 91 N 1.71 1.18 -0.42 3.86 0.00 -1.51 -1.42 119.26 122.66 2dd4 h ALA 91 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2dd4 h ALA 91 Cb 0.05 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2dd4 h ALA 91 CO -0.02 0.01 0.06 1.33 0.00 0.00 0.00 179.25 180.63 2dd4 n VAL 92 N -3.36 2.55 -1.13 0.00 0.24 -0.75 -4.94 118.33 110.95 2dd4 n VAL 92 Ca -0.03 -2.10 -0.04 0.00 -2.04 0.00 0.00 64.34 60.13 2dd4 n VAL 92 Cb 0.09 -0.31 -0.02 0.00 -1.47 0.00 0.00 33.84 32.14 2dd4 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dd4 n GLY 93 N -0.65 0.70 3.02 7.63 0.00 -0.53 -4.84 105.19 110.51 2dd4 n GLY 93 Ca 0.31 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2dd4 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dd4 s VAL 94 N -2.03 2.46 -0.47 1.61 1.01 -0.97 -5.01 120.40 117.00 2dd4 s VAL 94 Ca 0.00 -2.54 -0.19 0.00 0.00 0.00 0.00 61.98 59.25 2dd4 s VAL 94 Cb 0.00 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.65 2dd4 s VAL 94 CO 0.00 -0.66 0.57 0.21 0.00 0.00 0.00 175.10 175.22 2dd4 s ASN 95 N 0.72 6.23 0.64 3.32 3.84 -1.26 -3.43 114.94 125.00 2dd4 s ASN 95 Ca 0.12 -0.78 0.33 0.00 0.21 0.00 0.00 52.86 52.75 2dd4 s ASN 95 Cb -0.21 -2.27 1.81 0.00 -0.55 0.00 0.00 41.25 40.03 2dd4 s ASN 95 CO -0.06 -0.78 2.07 -0.50 -2.79 0.00 0.00 177.10 175.03 2dd4 h TRP 96 N 8.90 0.00 0.03 0.43 4.06 -1.94 0.16 115.95 127.59 2dd4 h TRP 96 Ca -0.27 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.34 2dd4 h TRP 96 Cb 1.10 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.22 2dd4 h TRP 96 CO 0.71 0.00 -1.93 0.28 -3.56 0.00 0.00 178.44 173.93 2dd4 n VAL 97 N -3.22 1.59 0.89 1.49 0.31 -1.26 -3.66 118.33 114.48 2dd4 n VAL 97 Ca -0.00 -0.35 0.09 0.00 -0.01 0.00 0.00 64.34 64.07 2dd4 n VAL 97 Cb 0.32 -1.84 -0.09 0.00 -0.91 0.00 0.00 33.84 31.32 2dd4 n VAL 97 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2dd4 n THR 98 N -3.98 0.00 -0.05 2.52 -2.24 -1.07 -1.88 114.28 107.58 2dd4 n THR 98 Ca -0.40 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.14 2dd4 n THR 98 Cb 0.87 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 70.07 2dd4 n THR 98 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dd4 h SER 99 N 0.29 0.96 -4.26 3.42 0.02 -0.96 -3.45 113.55 109.58 2dd4 h SER 99 Ca 0.00 -0.59 -0.51 0.00 -0.84 0.00 0.00 61.79 59.85 2dd4 h SER 99 Cb 0.48 -0.28 0.13 0.00 0.14 0.00 0.00 62.40 62.87 2dd4 h SER 99 CO 0.00 1.39 0.33 -2.84 -1.14 0.00 0.00 176.83 174.57 2dd4 s PRO 100 N -3.90 2.32 0.55 3.45 0.02 -1.26 -4.91 135.00 131.26 2dd4 s PRO 100 Ca -0.10 1.32 0.37 0.00 0.02 0.00 0.00 61.00 62.60 2dd4 s PRO 100 Cb 0.09 -1.90 1.91 0.00 0.02 0.00 0.00 34.50 34.63 2dd4 s PRO 100 CO 0.90 -1.61 2.12 -1.35 -0.33 0.00 0.00 177.00 176.73 2dd4 h PRO 101 N -0.74 0.00 0.00 5.54 0.11 -1.93 -3.07 132.00 131.91 2dd4 h PRO 101 Ca -0.45 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 2dd4 h PRO 101 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2dd4 h PRO 101 CO 0.51 0.00 -0.86 1.79 -0.21 0.00 0.00 178.00 179.23 2dd4 h THR 102 N 0.00 1.58 -0.15 -1.15 1.35 -1.90 -3.47 112.91 109.16 2dd4 h THR 102 Ca 0.00 -2.83 -0.07 0.00 -0.55 0.00 0.00 66.41 62.96 2dd4 h THR 102 Cb 0.10 2.55 -0.03 0.00 -1.73 0.00 0.00 68.15 69.04 2dd4 h THR 102 CO 0.00 0.81 -0.06 0.00 -0.25 0.00 0.00 175.52 176.02 2dd4 n GLN 103 N -3.56 -0.38 -0.78 4.72 1.13 -1.16 -4.80 117.38 112.54 2dd4 n GLN 103 Ca -0.01 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 2dd4 n GLN 103 Cb 0.81 -4.07 -0.00 0.00 0.11 0.00 0.00 30.24 27.09 2dd4 n GLN 103 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 2dd4 n PHE 104 N -2.83 0.00 0.00 1.08 1.16 -1.00 -4.73 117.46 111.14 2dd4 n PHE 104 Ca -0.03 -0.17 0.00 0.00 -1.87 0.00 0.00 57.45 55.38 2dd4 n PHE 104 Cb 0.15 0.05 0.00 0.00 -1.61 0.00 0.00 39.48 38.07 2dd4 n PHE 104 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2dd4 n GLY 105 N 0.11 -1.77 3.76 4.97 0.00 -0.79 -4.86 105.19 106.62 2dd4 n GLY 105 Ca -0.02 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 2dd4 n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dd4 s THR 106 N -2.83 2.70 0.30 2.61 -4.23 -1.26 -4.69 115.64 108.24 2dd4 s THR 106 Ca 0.00 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2dd4 s THR 106 Cb 0.00 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.86 2dd4 s THR 106 CO 0.00 -0.02 1.92 -0.65 -0.54 0.00 0.00 174.62 175.34 2dd4 h PRO 107 N 1.70 1.01 0.00 3.99 0.11 -1.95 -2.76 132.00 134.10 2dd4 h PRO 107 Ca -0.50 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.41 2dd4 h PRO 107 Cb 1.27 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2dd4 h PRO 107 CO 0.59 0.67 -1.54 0.43 -0.21 0.00 0.00 178.00 177.93 2dd4 n SER 108 N -4.47 0.63 0.04 -2.05 7.64 -1.26 -4.37 113.62 109.78 2dd4 n SER 108 Ca 0.13 0.27 0.11 0.00 1.01 0.00 0.00 58.87 60.39 2dd4 n SER 108 Cb 0.16 0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 63.91 2dd4 n SER 108 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dd4 n ASP 109 N -2.74 0.53 -0.53 6.43 8.00 -1.23 -4.94 116.55 122.08 2dd4 n ASP 109 Ca -0.10 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.39 2dd4 n ASP 109 Cb 0.78 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.90 2dd4 n ASP 109 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2dd4 n TYR 110 N -2.24 -1.52 -2.54 1.24 4.01 -1.04 -4.57 117.16 110.48 2dd4 n TYR 110 Ca -0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 2dd4 n TYR 110 Cb 0.50 0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.80 2dd4 n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dd4 n ASN 112 N -0.33 0.18 -4.74 0.00 5.15 -1.26 -4.95 115.26 109.32 2dd4 n ASN 112 Ca 0.27 -2.67 -0.41 0.00 -0.60 0.00 0.00 54.58 51.17 2dd4 n ASN 112 Cb 0.73 -0.63 -0.04 0.00 -0.53 0.00 0.00 39.78 39.31 2dd4 n ASN 112 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dd4 s LEU 113 N -1.05 4.51 -0.04 1.20 2.96 -1.26 -2.39 118.68 122.62 2dd4 s LEU 113 Ca 0.35 1.95 0.05 0.00 -0.22 0.00 0.00 54.13 56.26 2dd4 s LEU 113 Cb 0.15 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 2dd4 s LEU 113 CO -0.12 -0.11 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.48 2dd4 s ARG 114 N -0.32 1.87 -0.24 1.98 0.52 0.29 -3.31 118.95 119.74 2dd4 s ARG 114 Ca 0.47 -0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.92 2dd4 s ARG 114 Cb -0.27 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 2dd4 s ARG 114 CO 0.33 0.31 0.10 0.08 0.02 0.00 0.00 175.30 176.14 2dd4 s VAL 115 N -0.12 4.75 -0.36 3.52 1.01 -1.25 -2.73 120.40 125.22 2dd4 s VAL 115 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 2dd4 s VAL 115 Cb -0.11 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 2dd4 s VAL 115 CO 0.02 0.35 0.46 -0.76 0.00 0.00 0.00 175.10 175.17 2dd4 s LEU 116 N 1.30 4.43 -0.39 3.92 1.43 -0.64 -4.50 118.68 124.23 2dd4 s LEU 116 Ca 0.06 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 2dd4 s LEU 116 Cb -0.15 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.59 2dd4 s LEU 116 CO 0.05 -0.46 0.64 0.00 0.23 0.00 0.00 176.35 176.81 2dd4 s ALA 117 N 2.27 3.41 0.90 4.21 0.00 -1.26 -0.31 121.76 130.97 2dd4 s ALA 117 Ca 0.16 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2dd4 s ALA 117 Cb -0.16 -3.23 0.13 0.00 0.00 0.00 0.00 23.12 19.86 2dd4 s ALA 117 CO 0.13 -1.52 1.09 -0.51 0.00 0.00 0.00 175.76 174.95 2dd4 s ASP 118 N 1.88 3.44 0.35 0.00 1.01 0.10 -4.92 116.67 118.52 2dd4 s ASP 118 Ca 0.24 1.54 -0.11 0.00 0.71 0.00 0.00 52.55 54.93 2dd4 s ASP 118 Cb -0.14 -2.22 0.03 0.00 1.01 0.00 0.00 42.92 41.60 2dd4 s ASP 118 CO 0.17 -2.67 0.64 -0.94 0.21 0.00 0.00 175.17 172.58 2dd4 s SER 119 N -3.35 0.30 0.25 0.27 1.04 0.10 -4.57 113.70 107.74 2dd4 s SER 119 Ca 0.64 -1.20 0.18 0.00 0.48 0.00 0.00 55.95 56.04 2dd4 s SER 119 Cb -0.18 0.75 0.93 0.00 0.10 0.00 0.00 66.02 67.62 2dd4 s SER 119 CO 0.57 -1.47 1.55 -2.65 0.98 0.00 0.00 173.24 172.22 2dd4 n PRO 120 N -0.52 0.12 0.00 4.02 -0.02 -1.26 -2.06 135.00 135.27 2dd4 n PRO 120 Ca -0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2dd4 n PRO 120 Cb 0.61 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 2dd4 n PRO 120 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2dd4 n THR 121 N -2.11 0.73 -3.72 3.45 -2.24 -1.26 -4.88 114.28 104.25 2dd4 n THR 121 Ca -0.01 -0.79 -0.12 0.00 -2.27 0.00 0.00 64.05 60.87 2dd4 n THR 121 Cb 0.06 0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 68.83 2dd4 n THR 121 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2dd4 s LEU 122 N -0.73 0.29 -0.03 3.22 2.96 -0.88 -0.96 118.68 122.55 2dd4 s LEU 122 Ca 0.00 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2dd4 s LEU 122 Cb 0.00 1.04 0.03 0.00 0.50 0.00 0.00 46.19 47.76 2dd4 s LEU 122 CO 0.00 -0.17 0.03 -0.75 -1.32 0.00 0.00 176.35 174.14 2dd4 s LYS 123 N 1.10 0.11 0.10 1.98 2.36 -0.03 0.00 119.74 125.36 2dd4 s LYS 123 Ca -0.08 0.21 0.02 0.00 -2.55 0.00 0.00 55.97 53.57 2dd4 s LYS 123 Cb -0.08 -0.46 -0.04 0.00 -1.05 0.00 0.00 37.83 36.20 2dd4 s LYS 123 CO -0.08 -0.22 0.22 -1.01 1.55 0.00 0.00 175.35 175.80 2dd4 s HIS 124 N 1.47 3.44 -0.06 4.03 3.76 -1.26 -0.88 115.29 125.79 2dd4 s HIS 124 Ca -0.04 0.16 -0.04 0.00 -0.15 0.00 0.00 55.06 54.99 2dd4 s HIS 124 Cb -0.13 -1.69 0.03 0.00 1.11 0.00 0.00 32.58 31.90 2dd4 s HIS 124 CO -0.03 0.55 0.15 0.54 -0.85 0.00 0.00 174.74 175.11 2dd4 s VAL 125 N -1.60 -0.02 0.08 -0.90 0.11 -0.79 -4.47 120.40 112.81 2dd4 s VAL 125 Ca 0.34 0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.51 2dd4 s VAL 125 Cb -0.12 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2dd4 s VAL 125 CO 0.27 0.03 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.38 2dd4 s VAL 126 N 0.55 4.02 0.22 2.04 1.01 -0.05 -1.11 120.40 127.09 2dd4 s VAL 126 Ca -0.04 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 2dd4 s VAL 126 Cb -0.05 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.46 2dd4 s VAL 126 CO -0.03 0.16 0.60 0.54 0.00 0.00 0.00 175.10 176.38 2dd4 s VAL 127 N -1.27 0.01 -0.36 2.92 0.11 -0.59 -4.93 120.40 116.29 2dd4 s VAL 127 Ca 0.25 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2dd4 s VAL 127 Cb -0.12 -1.62 0.12 0.00 -1.53 0.00 0.00 36.38 33.23 2dd4 s VAL 127 CO 0.17 -0.05 0.18 0.00 -3.33 0.00 0.00 175.10 172.07 2dd4 h THR 129 N 5.63 1.02 0.00 0.00 1.35 -1.87 -2.66 112.91 116.39 2dd4 h THR 129 Ca -0.04 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 2dd4 h THR 129 Cb 0.97 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2dd4 h THR 129 CO 0.41 0.02 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.57 2dd4 h LEU 130 N 0.11 0.00 0.00 3.87 3.38 -1.91 -3.47 115.31 117.30 2dd4 h LEU 130 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dd4 h LEU 130 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2dd4 h LEU 130 CO -0.01 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.58 2dd4 n SER 132 N 0.00 0.76 -4.58 0.00 3.41 -1.26 -4.61 113.62 107.34 2dd4 n SER 132 Ca 0.00 -2.06 -0.49 0.00 -0.26 0.00 0.00 58.87 56.07 2dd4 n SER 132 Cb 0.00 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 2dd4 n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dd4 s TYR 134 N -0.19 -0.25 -1.27 0.00 5.04 -1.26 -4.71 117.35 114.71 2dd4 s TYR 134 Ca 0.73 0.48 -0.08 0.00 -2.44 0.00 0.00 57.07 55.75 2dd4 s TYR 134 Cb -0.84 0.11 -0.10 0.00 0.35 0.00 0.00 41.96 41.48 2dd4 s TYR 134 CO 0.52 -0.34 2.83 -0.35 -1.34 0.00 0.00 175.55 176.87 2dd4 n PRO 135 N 1.72 3.12 -0.27 4.97 -0.04 -1.26 -4.76 135.00 138.47 2dd4 n PRO 135 Ca -0.19 -1.87 0.05 0.00 -0.04 0.00 0.00 63.50 61.44 2dd4 n PRO 135 Cb 0.56 -2.62 0.15 0.00 -0.04 0.00 0.00 33.50 31.56 2dd4 n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dd4 h ARG 136 N 5.06 0.06 -0.98 0.54 3.08 -1.94 -0.44 114.38 119.75 2dd4 h ARG 136 Ca 0.71 -0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.98 2dd4 h ARG 136 Cb 0.39 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.34 2dd4 h ARG 136 CO 1.52 0.04 0.63 -1.35 -1.07 0.00 0.00 179.97 179.73 2dd4 h PRO 137 N 0.06 0.49 0.00 0.04 0.11 -1.86 0.20 132.00 131.04 2dd4 h PRO 137 Ca 0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2dd4 h PRO 137 Cb 0.72 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2dd4 h PRO 137 CO -0.74 0.32 -0.77 1.51 -0.21 0.00 0.00 178.00 178.12 2dd4 n ILE 138 N -4.62 0.00 0.00 4.15 3.06 -0.84 -4.73 119.36 116.38 2dd4 n ILE 138 Ca 0.23 -0.23 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2dd4 n ILE 138 Cb 0.73 0.85 0.00 0.00 0.54 0.00 0.00 39.64 41.75 2dd4 n ILE 138 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2dd4 n LEU 139 N -1.41 0.00 0.00 9.51 -0.00 -0.23 -2.52 117.00 122.35 2dd4 n LEU 139 Ca 0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 2dd4 n LEU 139 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 2dd4 n LEU 139 CO 0.25 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 2dd4 n GLY 140 N 1.94 -1.89 3.80 -3.96 0.00 0.04 -2.19 105.19 102.93 2dd4 n GLY 140 Ca 0.00 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 2dd4 n GLY 140 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dd4 s GLN 141 N 0.00 4.39 0.50 1.61 2.00 -1.26 -3.96 119.66 122.94 2dd4 s GLN 141 Ca 0.00 1.14 -0.21 0.00 -2.00 0.00 0.00 55.36 54.29 2dd4 s GLN 141 Cb 0.00 -2.63 -0.07 0.00 0.80 0.00 0.00 33.01 31.11 2dd4 s GLN 141 CO 0.00 0.21 1.11 -1.54 -0.50 0.00 0.00 175.29 174.58 2dd4 s SER 142 N -1.82 6.06 0.65 6.67 1.04 -1.26 -5.02 113.70 120.01 2dd4 s SER 142 Ca 0.52 2.15 -0.16 0.00 0.48 0.00 0.00 55.95 58.95 2dd4 s SER 142 Cb -0.15 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.38 2dd4 s SER 142 CO 0.20 -0.99 1.12 -2.84 0.98 0.00 0.00 173.24 171.71 2dd4 s PRO 143 N -3.04 2.86 0.16 4.02 0.02 -1.26 -4.95 135.00 132.80 2dd4 s PRO 143 Ca 0.68 1.43 -0.16 0.00 0.02 0.00 0.00 61.00 62.97 2dd4 s PRO 143 Cb -0.24 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.37 2dd4 s PRO 143 CO 0.28 -1.21 1.80 1.49 -0.33 0.00 0.00 177.00 179.03 2dd4 h GLU 144 N 0.17 0.49 0.00 5.54 4.57 -2.00 -2.48 114.58 120.86 2dd4 h GLU 144 Ca -0.47 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.64 2dd4 h GLU 144 Cb 1.25 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 2dd4 h GLU 144 CO 0.54 0.32 -0.17 0.11 -1.18 0.00 0.00 179.01 178.64 2dd4 h TRP 145 N 0.50 0.00 0.00 0.92 5.08 -1.97 -2.08 115.95 118.40 2dd4 h TRP 145 Ca 0.16 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.07 2dd4 h TRP 145 Cb -0.01 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.14 2dd4 h TRP 145 CO -0.07 0.17 -0.29 -0.92 -1.28 0.00 0.00 178.44 176.06 2dd4 h TYR 146 N 0.00 0.00 0.00 0.12 3.20 -1.82 -2.31 116.97 116.16 2dd4 h TYR 146 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2dd4 h TYR 146 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2dd4 h TYR 146 CO 0.00 0.29 -0.40 0.54 -1.64 0.00 0.00 178.16 176.95 2dd4 n ARG 147 N -4.06 0.12 -2.10 1.82 1.74 -0.80 -4.70 116.66 108.69 2dd4 n ARG 147 Ca -0.02 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.71 2dd4 n ARG 147 Cb 0.35 -1.59 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 2dd4 n ARG 147 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2dd4 s SER 148 N -3.53 6.63 0.45 0.55 1.04 -0.87 -4.90 113.70 113.06 2dd4 s SER 148 Ca 0.10 2.68 0.12 0.00 0.48 0.00 0.00 55.95 59.33 2dd4 s SER 148 Cb 0.16 -2.65 1.02 0.00 0.10 0.00 0.00 66.02 64.66 2dd4 s SER 148 CO 0.66 -0.63 2.05 -0.65 0.98 0.00 0.00 173.24 175.65 2dd4 h PRO 149 N 3.15 0.36 0.38 4.02 0.11 -1.92 -1.88 132.00 136.22 2dd4 h PRO 149 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2dd4 h PRO 149 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2dd4 h PRO 149 CO 0.64 0.24 -0.18 -0.97 -0.21 0.00 0.00 178.00 177.52 2dd4 h ASN 150 N 0.37 -0.44 -0.74 -2.05 -0.73 -1.91 0.16 115.58 110.24 2dd4 h ASN 150 Ca 0.17 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.31 2dd4 h ASN 150 Cb 0.20 0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.87 2dd4 h ASN 150 CO -0.04 -0.31 0.30 0.22 -0.37 0.00 0.00 177.43 177.23 2dd4 h TYR 151 N -0.52 1.13 0.00 0.67 3.20 -1.70 -1.65 116.97 118.10 2dd4 h TYR 151 Ca -0.05 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.67 2dd4 h TYR 151 Cb 0.40 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2dd4 h TYR 151 CO -0.05 0.86 -0.28 0.00 -1.64 0.00 0.00 178.16 177.06 2dd4 h ARG 152 N 1.07 0.00 0.07 1.82 3.08 -1.16 -2.45 114.38 116.80 2dd4 h ARG 152 Ca 0.25 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2dd4 h ARG 152 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2dd4 h ARG 152 CO -0.02 0.28 -0.62 0.00 -1.07 0.00 0.00 179.97 178.53 2dd4 h ARG 153 N 0.00 0.15 0.15 0.04 3.08 -0.34 -3.42 114.38 114.04 2dd4 h ARG 153 Ca -0.00 -0.25 -0.33 0.00 0.07 0.00 0.00 59.98 59.47 2dd4 h ARG 153 Cb 0.63 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2dd4 h ARG 153 CO 0.04 1.12 -1.66 0.00 -1.07 0.00 0.00 179.97 178.39 2dd4 h ARG 154 N -0.67 0.31 -0.77 0.04 3.08 -1.31 -3.41 114.38 111.66 2dd4 h ARG 154 Ca -0.13 -0.53 0.12 0.00 0.07 0.00 0.00 59.98 59.51 2dd4 h ARG 154 Cb 1.38 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 31.54 2dd4 h ARG 154 CO 0.05 1.19 0.38 1.25 -1.07 0.00 0.00 179.97 181.77 2dd4 h LEU 155 N 0.08 0.46 -1.76 3.04 5.85 -1.67 0.17 115.31 121.48 2dd4 h LEU 155 Ca -0.30 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 2dd4 h LEU 155 Cb 2.06 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 43.09 2dd4 h LEU 155 CO 0.16 0.23 -0.13 -0.37 -0.34 0.00 0.00 178.44 177.99 2dd4 h VAL 156 N 0.59 0.50 0.00 1.05 -1.51 -1.83 -2.74 116.25 112.32 2dd4 h VAL 156 Ca 0.40 -0.64 -0.31 0.00 -1.23 0.00 0.00 66.70 64.93 2dd4 h VAL 156 Cb 0.50 1.43 -0.06 0.00 -2.13 0.00 0.00 31.29 31.04 2dd4 h VAL 156 CO -0.32 0.13 -2.16 -1.14 -1.23 0.00 0.00 177.57 172.84 2dd4 n ARG 157 N -3.52 0.83 -2.73 5.19 0.63 -0.76 -4.71 116.66 111.59 2dd4 n ARG 157 Ca -0.01 0.07 -0.23 0.00 -0.92 0.00 0.00 57.85 56.76 2dd4 n ARG 157 Cb 0.28 -1.42 -0.01 0.00 0.45 0.00 0.00 32.46 31.76 2dd4 n ARG 157 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2dd4 n TRP 158 N -2.92 2.85 -0.36 -0.14 8.01 0.52 -4.92 117.44 120.48 2dd4 n TRP 158 Ca -0.33 -3.41 0.03 0.00 -1.31 0.00 0.00 57.50 52.48 2dd4 n TRP 158 Cb 0.95 -0.29 0.18 0.00 -2.01 0.00 0.00 31.31 30.14 2dd4 n TRP 158 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2dd4 h PRO 159 N 2.82 1.08 -0.58 -0.99 0.13 -1.65 -1.12 132.00 131.69 2dd4 h PRO 159 Ca 0.16 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 2dd4 h PRO 159 Cb 0.84 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 31.70 2dd4 h PRO 159 CO 0.74 0.71 0.33 0.00 -0.23 0.00 0.00 178.00 179.56 2dd4 h ARG 160 N 1.11 0.81 -0.20 0.86 2.47 -1.91 -0.62 114.38 116.89 2dd4 h ARG 160 Ca 0.44 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 59.01 2dd4 h ARG 160 Cb 0.24 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2dd4 h ARG 160 CO -0.19 0.60 -0.12 1.96 0.56 0.00 0.00 179.97 182.78 2dd4 h GLN 161 N 0.79 0.44 -0.48 0.04 7.50 -1.82 -1.86 115.11 119.71 2dd4 h GLN 161 Ca 0.21 -0.20 -0.05 0.00 0.50 0.00 0.00 58.65 59.10 2dd4 h GLN 161 Cb 0.02 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 2dd4 h GLN 161 CO -0.04 0.74 0.09 0.28 -1.50 0.00 0.00 178.83 178.41 2dd4 h VAL 162 N 0.13 1.24 -0.58 -0.54 2.07 -1.14 -1.85 116.25 115.59 2dd4 h VAL 162 Ca 0.04 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2dd4 h VAL 162 Cb 0.62 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2dd4 h VAL 162 CO 0.03 0.32 0.19 -0.07 0.02 0.00 0.00 177.57 178.06 2dd4 h LEU 163 N 0.66 0.79 -0.95 2.57 3.38 -1.13 -1.74 115.31 118.89 2dd4 h LEU 163 Ca 0.15 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2dd4 h LEU 163 Cb 0.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2dd4 h LEU 163 CO 0.01 0.74 0.18 0.00 0.09 0.00 0.00 178.44 179.45 2dd4 h ALA 164 N 1.37 1.15 -0.38 1.53 0.00 -0.98 0.20 119.26 122.15 2dd4 h ALA 164 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dd4 h ALA 164 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2dd4 h ALA 164 CO -0.01 0.58 0.19 0.93 0.00 0.00 0.00 179.25 180.94 2dd4 h GLU 165 N 0.90 0.52 -0.00 0.00 5.08 -0.49 0.44 114.58 121.03 2dd4 h GLU 165 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2dd4 h GLU 165 Cb 0.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2dd4 h GLU 165 CO -0.01 0.40 -0.03 1.19 -1.00 0.00 0.00 179.01 179.57 2dd4 n PHE 166 N -4.42 0.00 -0.49 4.33 3.01 -0.50 -4.89 117.46 114.50 2dd4 n PHE 166 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2dd4 n PHE 166 Cb 0.11 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 2dd4 n PHE 166 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dd4 n GLY 167 N 1.23 0.71 3.26 1.37 0.00 0.14 -4.94 105.19 106.97 2dd4 n GLY 167 Ca 0.16 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2dd4 n GLY 167 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dd4 s LEU 168 N 0.00 2.39 -0.00 0.99 2.96 0.59 -4.97 118.68 120.64 2dd4 s LEU 168 Ca 0.00 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2dd4 s LEU 168 Cb 0.00 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.16 2dd4 s LEU 168 CO 0.00 0.12 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.52 2dd4 s GLN 169 N 0.60 0.37 0.20 1.98 0.74 -1.26 -2.43 119.66 119.86 2dd4 s GLN 169 Ca -0.10 -0.19 0.07 0.00 0.05 0.00 0.00 55.36 55.19 2dd4 s GLN 169 Cb -0.16 -0.35 -0.05 0.00 1.10 0.00 0.00 33.01 33.56 2dd4 s GLN 169 CO 0.03 0.09 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.23 2dd4 s LEU 170 N -0.18 2.54 0.49 3.68 1.02 -1.26 -5.12 118.68 119.84 2dd4 s LEU 170 Ca 0.01 -1.04 -0.23 0.00 0.02 0.00 0.00 54.13 52.90 2dd4 s LEU 170 Cb -0.02 -0.60 -0.08 0.00 0.02 0.00 0.00 46.19 45.51 2dd4 s LEU 170 CO -0.00 -0.22 1.10 -2.65 0.02 0.00 0.00 176.35 174.60 2dd4 n PRO 171 N -0.36 1.42 0.26 1.29 -0.02 -1.26 -4.87 135.00 131.46 2dd4 n PRO 171 Ca -0.08 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.01 2dd4 n PRO 171 Cb 0.61 -2.23 0.68 0.00 -0.02 0.00 0.00 33.50 32.54 2dd4 n PRO 171 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2dd4 h SER 172 N 1.38 0.00 1.50 2.55 4.64 -2.04 -1.93 113.55 119.66 2dd4 h SER 172 Ca -0.47 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 2dd4 h SER 172 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 2dd4 h SER 172 CO 0.56 0.04 -0.29 1.05 -0.87 0.00 0.00 176.83 177.32 2dd4 h GLU 173 N 0.00 0.00 -6.90 4.77 9.09 -2.00 -3.45 114.58 116.08 2dd4 h GLU 173 Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 2dd4 h GLU 173 Cb 0.08 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 27.25 2dd4 h GLU 173 CO 0.01 0.29 0.65 0.08 0.05 0.00 0.00 179.01 180.09 2dd4 s VAL 174 N -3.19 2.61 -0.50 -1.06 1.01 -0.73 -4.95 120.40 113.60 2dd4 s VAL 174 Ca 0.04 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 2dd4 s VAL 174 Cb 0.07 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 33.10 2dd4 s VAL 174 CO 0.70 0.14 1.08 -1.58 0.00 0.00 0.00 175.10 175.43 2dd4 s GLN 175 N -1.92 3.61 -0.19 2.72 0.74 -0.14 -4.92 119.66 119.56 2dd4 s GLN 175 Ca 0.51 0.35 -0.20 0.00 0.05 0.00 0.00 55.36 56.06 2dd4 s GLN 175 Cb -0.40 -3.94 -0.03 0.00 1.10 0.00 0.00 33.01 29.74 2dd4 s GLN 175 CO 0.54 -1.40 0.59 0.42 -0.55 0.00 0.00 175.29 174.89 2dd4 s ILE 176 N 4.31 5.06 -0.18 -2.34 1.09 -1.26 -0.85 121.20 127.03 2dd4 s ILE 176 Ca 0.43 1.11 -0.01 0.00 -1.10 0.00 0.00 60.65 61.08 2dd4 s ILE 176 Cb -0.08 -3.91 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 2dd4 s ILE 176 CO 0.29 0.15 -0.14 -0.60 -0.10 0.00 0.00 174.94 174.54 2dd4 s ARG 177 N 1.72 3.19 -0.15 2.79 3.52 -0.06 -4.95 118.95 125.01 2dd4 s ARG 177 Ca 0.27 -0.74 -0.16 0.00 -0.13 0.00 0.00 55.73 54.98 2dd4 s ARG 177 Cb -0.16 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 2dd4 s ARG 177 CO 0.10 -0.12 0.38 0.08 -0.81 0.00 0.00 175.30 174.93 2dd4 s VAL 178 N 1.17 5.25 -0.26 7.11 1.01 -1.26 -1.88 120.40 131.53 2dd4 s VAL 178 Ca 0.02 0.73 -0.08 0.00 0.00 0.00 0.00 61.98 62.65 2dd4 s VAL 178 Cb -0.14 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2dd4 s VAL 178 CO -0.06 0.35 0.08 0.00 0.00 0.00 0.00 175.10 175.48 2dd4 s ALA 179 N 0.61 3.16 -0.47 5.51 0.00 -0.26 -4.96 121.76 125.34 2dd4 s ALA 179 Ca 0.21 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 2dd4 s ALA 179 Cb -0.14 -2.12 0.09 0.00 0.00 0.00 0.00 23.12 20.95 2dd4 s ALA 179 CO 0.07 -0.59 0.38 0.34 0.00 0.00 0.00 175.76 175.96 2dd4 s ASP 180 N 1.60 5.97 -1.10 0.00 -1.08 -1.26 -1.54 116.67 119.26 2dd4 s ASP 180 Ca 0.06 -1.57 -0.21 0.00 -0.52 0.00 0.00 52.55 50.31 2dd4 s ASP 180 Cb -0.16 -2.12 0.06 0.00 -1.46 0.00 0.00 42.92 39.25 2dd4 s ASP 180 CO 0.04 -0.68 1.52 -0.94 0.52 0.00 0.00 175.17 175.63 2dd4 s SER 181 N 2.73 6.61 0.00 -0.34 1.04 -0.37 -4.72 113.70 118.65 2dd4 s SER 181 Ca 0.04 -1.78 0.20 0.00 0.48 0.00 0.00 55.95 54.89 2dd4 s SER 181 Cb -0.26 -2.57 -0.20 0.00 0.10 0.00 0.00 66.02 63.10 2dd4 s SER 181 CO 0.04 -1.39 0.87 -0.46 0.98 0.00 0.00 173.24 173.28 2dd4 n ASN 182 N 8.64 1.04 0.00 7.02 6.94 -1.26 -4.69 115.26 132.95 2dd4 n ASN 182 Ca 0.37 -1.02 0.00 0.00 -0.02 0.00 0.00 54.58 53.92 2dd4 n ASN 182 Cb 0.49 0.96 0.00 0.00 -2.36 0.00 0.00 39.78 38.87 2dd4 n ASN 182 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dd4 n GLN 183 N -1.36 2.16 0.00 -3.83 1.13 -1.26 -5.02 117.38 109.19 2dd4 n GLN 183 Ca 0.04 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.24 2dd4 n GLN 183 Cb 0.33 0.00 0.55 0.00 0.11 0.00 0.00 30.24 31.23 2dd4 n GLN 183 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2dd4 n LYS 184 N 0.00 1.00 -3.05 -1.09 5.02 -1.26 -4.89 118.16 113.90 2dd4 n LYS 184 Ca 0.00 -0.47 -0.37 0.00 -2.02 0.00 0.00 58.31 55.45 2dd4 n LYS 184 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 2dd4 n LYS 184 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2dd4 s THR 185 N -2.32 4.48 0.04 -0.18 2.01 -1.26 -4.31 115.64 114.10 2dd4 s THR 185 Ca 0.31 1.45 0.08 0.00 0.31 0.00 0.00 61.69 63.85 2dd4 s THR 185 Cb 0.20 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2dd4 s THR 185 CO 0.44 0.32 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.34 2dd4 s ARG 186 N -1.69 1.56 0.24 4.92 1.81 -1.00 -4.73 118.95 120.06 2dd4 s ARG 186 Ca 0.41 -0.96 0.11 0.00 -1.72 0.00 0.00 55.73 53.57 2dd4 s ARG 186 Cb -0.19 -1.66 -0.05 0.00 -0.45 0.00 0.00 34.95 32.60 2dd4 s ARG 186 CO 0.23 0.43 -0.21 0.71 -0.68 0.00 0.00 175.30 175.78 2dd4 s TYR 187 N -0.76 2.22 -0.03 -0.53 2.02 -1.26 -0.55 117.35 118.47 2dd4 s TYR 187 Ca 0.09 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 2dd4 s TYR 187 Cb -0.09 -1.01 0.01 0.00 -0.40 0.00 0.00 41.96 40.46 2dd4 s TYR 187 CO 0.01 0.60 0.07 0.96 -1.57 0.00 0.00 175.55 175.62 2dd4 s ILE 188 N -2.26 -0.00 -0.10 2.71 -4.36 -1.11 -4.52 121.20 111.56 2dd4 s ILE 188 Ca 0.26 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.48 2dd4 s ILE 188 Cb -0.06 -0.10 -0.05 0.00 1.25 0.00 0.00 42.46 43.51 2dd4 s ILE 188 CO 0.12 0.00 0.42 -0.69 0.24 0.00 0.00 174.94 175.04 2dd4 s VAL 189 N 0.05 5.18 -0.59 8.37 1.01 0.05 -1.62 120.40 132.86 2dd4 s VAL 189 Ca -0.00 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.71 2dd4 s VAL 189 Cb -0.01 -3.76 0.15 0.00 0.00 0.00 0.00 36.38 32.77 2dd4 s VAL 189 CO 0.00 0.39 0.49 -0.32 0.00 0.00 0.00 175.10 175.66 2dd4 s MET 190 N 0.24 2.87 0.84 2.72 1.75 0.57 -4.43 119.30 123.87 2dd4 s MET 190 Ca 0.23 -1.99 -0.11 0.00 -1.25 0.00 0.00 55.69 52.57 2dd4 s MET 190 Cb -0.15 -4.12 0.10 0.00 2.84 0.00 0.00 34.83 33.50 2dd4 s MET 190 CO 0.10 -1.25 1.09 -1.25 -0.65 0.00 0.00 175.02 173.06 2dd4 s PRO 191 N 1.00 1.71 0.54 4.11 0.04 -1.26 -0.72 135.00 140.42 2dd4 s PRO 191 Ca 0.09 0.80 -0.19 0.00 0.04 0.00 0.00 61.00 61.74 2dd4 s PRO 191 Cb -0.23 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2dd4 s PRO 191 CO -0.02 -1.92 1.10 0.14 0.04 0.00 0.00 177.00 176.34 2dd4 s VAL 192 N -3.01 3.40 0.04 -0.36 -7.23 -1.26 -4.77 120.40 107.21 2dd4 s VAL 192 Ca 0.62 0.83 -0.31 0.00 -1.81 0.00 0.00 61.98 61.32 2dd4 s VAL 192 Cb -0.16 -3.33 -0.07 0.00 0.56 0.00 0.00 36.38 33.38 2dd4 s VAL 192 CO 0.56 -0.23 1.49 -0.60 -0.31 0.00 0.00 175.10 176.01 2dd4 s ARG 193 N -3.41 4.26 0.66 4.82 3.52 -1.26 -4.83 118.95 122.71 2dd4 s ARG 193 Ca 0.70 2.12 -0.13 0.00 -0.13 0.00 0.00 55.73 58.28 2dd4 s ARG 193 Cb -0.21 -3.53 -0.00 0.00 -1.56 0.00 0.00 34.95 29.65 2dd4 s ARG 193 CO 0.27 -0.61 1.07 -1.25 -0.81 0.00 0.00 175.30 173.97 2dd4 s PRO 194 N 2.28 2.95 0.78 5.12 0.04 -1.26 -5.02 135.00 139.88 2dd4 s PRO 194 Ca 0.68 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 2dd4 s PRO 194 Cb -0.35 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.27 2dd4 s PRO 194 CO 0.29 -1.11 1.12 -2.00 0.04 0.00 0.00 177.00 175.34 2dd4 s GLU 195 N -4.46 2.08 0.00 4.56 2.56 -1.26 -3.94 118.70 118.23 2dd4 s GLU 195 Ca 0.62 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.95 2dd4 s GLU 195 Cb -0.17 -1.86 0.00 0.00 2.00 0.00 0.00 34.13 34.10 2dd4 s GLU 195 CO 0.46 -1.81 0.00 0.41 -0.56 0.00 0.00 175.26 173.76 2dd4 n GLY 196 N -0.61 0.44 0.37 -1.50 0.00 -1.26 -4.73 105.19 97.90 2dd4 n GLY 196 Ca 0.10 -0.95 0.06 0.00 0.00 0.00 0.00 46.02 45.23 2dd4 n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dd4 n THR 197 N -3.29 1.09 -1.65 2.61 -2.24 -1.25 -4.91 114.28 104.63 2dd4 n THR 197 Ca 0.00 -1.42 -0.47 0.00 -2.27 0.00 0.00 64.05 59.89 2dd4 n THR 197 Cb 0.19 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 2dd4 n THR 197 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dd4 n ASP 198 N -0.75 2.69 0.00 3.42 8.00 -1.26 -1.44 116.55 127.21 2dd4 n ASP 198 Ca 0.10 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2dd4 n ASP 198 Cb 0.70 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 2dd4 n ASP 198 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dd4 n GLY 199 N 2.86 0.56 3.77 0.44 0.00 -1.26 -4.98 105.19 106.57 2dd4 n GLY 199 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2dd4 n GLY 199 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dd4 s TRP 200 N -2.64 2.64 0.94 1.61 0.52 -0.52 -5.01 118.94 116.49 2dd4 s TRP 200 Ca 0.00 1.33 -0.14 0.00 0.02 0.00 0.00 56.10 57.31 2dd4 s TRP 200 Cb 0.00 -3.81 0.16 0.00 -1.15 0.00 0.00 33.47 28.68 2dd4 s TRP 200 CO 0.00 -2.53 1.20 0.95 0.02 0.00 0.00 176.95 176.59 2dd4 s THR 201 N -1.22 1.95 0.15 2.01 -4.23 -1.26 -4.83 115.64 108.21 2dd4 s THR 201 Ca 0.58 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.93 2dd4 s THR 201 Cb -0.41 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.58 2dd4 s THR 201 CO 0.53 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 176.34 2dd4 h GLU 202 N -1.58 0.46 -0.61 3.99 4.81 -1.95 -1.84 114.58 117.87 2dd4 h GLU 202 Ca -0.47 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2dd4 h GLU 202 Cb 1.30 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 2dd4 h GLU 202 CO 0.52 0.31 0.37 -0.44 -0.73 0.00 0.00 179.01 179.04 2dd4 h ASP 203 N 0.48 0.60 -0.70 1.04 3.32 -1.99 0.12 116.42 119.28 2dd4 h ASP 203 Ca 0.14 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2dd4 h ASP 203 Cb -0.04 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2dd4 h ASP 203 CO -0.04 0.41 0.29 1.56 -1.72 0.00 0.00 179.24 179.75 2dd4 h GLN 204 N 0.72 1.03 -0.24 3.56 4.20 -1.86 -1.77 115.11 120.75 2dd4 h GLN 204 Ca 0.25 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 2dd4 h GLN 204 Cb 0.04 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2dd4 h GLN 204 CO -0.11 0.85 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.57 2dd4 h LEU 205 N 0.99 0.65 -1.13 1.46 3.38 -0.95 -3.17 115.31 116.54 2dd4 h LEU 205 Ca 0.23 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2dd4 h LEU 205 Cb 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2dd4 h LEU 205 CO -0.02 0.99 0.25 0.00 0.09 0.00 0.00 178.44 179.75 2dd4 h ALA 206 N 0.67 1.32 -0.29 1.53 0.00 -0.89 -2.68 119.26 118.93 2dd4 h ALA 206 Ca 0.04 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.88 2dd4 h ALA 206 Cb 0.81 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dd4 h ALA 206 CO 0.06 0.51 0.25 1.49 0.00 0.00 0.00 179.25 181.56 2dd4 h GLU 207 N 0.85 0.00 -0.17 0.00 4.81 -1.29 -1.23 114.58 117.55 2dd4 h GLU 207 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2dd4 h GLU 207 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2dd4 h GLU 207 CO -0.02 0.00 0.00 0.44 -0.73 0.00 0.00 179.01 178.70 2dd4 n ILE 208 N -4.11 0.20 -3.24 2.32 -6.64 -1.01 -4.46 119.36 102.41 2dd4 n ILE 208 Ca 0.04 -0.54 -0.46 0.00 -1.77 0.00 0.00 62.75 60.02 2dd4 n ILE 208 Cb 0.40 1.08 -0.02 0.00 -1.44 0.00 0.00 39.64 39.66 2dd4 n ILE 208 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 2dd4 s VAL 209 N -1.80 5.47 0.85 7.28 1.01 -0.46 -4.26 120.40 128.49 2dd4 s VAL 209 Ca 0.33 -2.39 -0.13 0.00 0.00 0.00 0.00 61.98 59.79 2dd4 s VAL 209 Cb 0.21 -4.55 0.12 0.00 0.00 0.00 0.00 36.38 32.15 2dd4 s VAL 209 CO 0.31 -1.15 1.22 0.42 0.00 0.00 0.00 175.10 175.90 2dd4 s THR 210 N 0.55 2.00 0.14 3.92 -4.23 -1.26 -4.63 115.64 112.13 2dd4 s THR 210 Ca 0.22 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.55 2dd4 s THR 210 Cb -0.09 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.77 2dd4 s THR 210 CO -0.09 0.00 1.70 -0.09 -0.54 0.00 0.00 174.62 175.60 2dd4 h ARG 211 N -1.23 0.03 -0.42 3.99 2.43 -1.96 -1.31 114.38 115.91 2dd4 h ARG 211 Ca -0.46 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.80 2dd4 h ARG 211 Cb 1.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 2dd4 h ARG 211 CO 0.58 0.02 0.29 -0.44 -1.51 0.00 0.00 179.97 178.90 2dd4 h ASP 212 N 0.03 0.18 0.08 -3.80 3.32 -1.94 0.28 116.42 114.56 2dd4 h ASP 212 Ca 0.14 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 2dd4 h ASP 212 Cb 0.20 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2dd4 h ASP 212 CO -0.27 0.11 -0.52 0.00 -1.72 0.00 0.00 179.24 176.85 2dd4 h LEU 214 N 0.38 0.00 0.10 0.00 3.38 -0.36 -2.93 115.31 115.88 2dd4 h LEU 214 Ca 0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.64 2dd4 h LEU 214 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2dd4 h LEU 214 CO 0.09 0.00 -1.92 -0.38 0.09 0.00 0.00 178.44 176.33 2dd4 n ILE 215 N -2.66 1.75 0.00 1.22 2.08 -0.61 -0.77 119.36 120.36 2dd4 n ILE 215 Ca 0.03 -0.69 0.00 0.00 0.56 0.00 0.00 62.75 62.65 2dd4 n ILE 215 Cb 0.37 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 2dd4 n ILE 215 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dd4 n GLY 216 N 1.89 0.95 0.37 7.39 0.00 -0.31 -0.87 105.19 114.60 2dd4 n GLY 216 Ca -0.28 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.87 2dd4 n GLY 216 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dd4 n VAL 217 N -0.85 0.05 -3.71 1.61 0.24 -0.87 -4.62 118.33 110.18 2dd4 n VAL 217 Ca 0.00 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.34 61.99 2dd4 n VAL 217 Cb 0.00 0.22 -0.04 0.00 -1.47 0.00 0.00 33.84 32.55 2dd4 n VAL 217 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dd4 s ALA 218 N -1.95 -0.86 0.12 2.33 0.00 -1.16 -4.63 121.76 115.61 2dd4 s ALA 218 Ca 0.37 -0.20 0.11 0.00 0.00 0.00 0.00 51.96 52.24 2dd4 s ALA 218 Cb 0.20 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 24.06 2dd4 s ALA 218 CO 0.31 -0.72 -0.26 0.14 0.00 0.00 0.00 175.76 175.23 2dd4 s VAL 219 N -3.85 2.20 0.35 0.00 -7.23 -1.26 -4.11 120.40 106.50 2dd4 s VAL 219 Ca 0.07 -1.69 -0.28 0.00 -1.81 0.00 0.00 61.98 58.27 2dd4 s VAL 219 Cb 0.01 -1.94 -0.10 0.00 0.56 0.00 0.00 36.38 34.90 2dd4 s VAL 219 CO -0.07 0.12 1.35 -2.16 -0.31 0.00 0.00 175.10 174.03 2dd4 s PRO 220 N -1.93 4.27 -0.01 4.82 0.04 -1.26 -4.97 135.00 135.96 2dd4 s PRO 220 Ca 0.13 2.30 -0.00 0.00 0.04 0.00 0.00 61.00 63.47 2dd4 s PRO 220 Cb -0.10 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.43 2dd4 s PRO 220 CO 0.05 -0.29 0.02 0.15 0.04 0.00 0.00 177.00 176.97 2dd4 s LYS 221 N -1.90 -0.01 0.29 4.56 1.02 -1.26 -4.62 119.74 117.82 2dd4 s LYS 221 Ca 0.50 0.09 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 2dd4 s LYS 221 Cb -0.41 -0.10 -0.13 0.00 -0.52 0.00 0.00 37.83 36.67 2dd4 s LYS 221 CO 0.55 -0.07 1.42 -2.30 -0.92 0.00 0.00 175.35 174.03 2dd4 n PRO 222 N 3.54 2.25 0.00 -1.68 -0.02 -1.26 -1.62 135.00 136.21 2dd4 n PRO 222 Ca -0.19 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2dd4 n PRO 222 Cb 0.56 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2dd4 n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dd4 n GLY 223 N 1.62 2.32 3.32 -1.23 0.00 -1.26 -5.00 105.19 104.96 2dd4 n GLY 223 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2dd4 n GLY 223 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dd4 s ILE 224 N -2.27 4.26 -0.24 -0.61 1.09 -0.64 -4.93 121.20 117.86 2dd4 s ILE 224 Ca 0.00 -1.05 0.09 0.00 -1.10 0.00 0.00 60.65 58.59 2dd4 s ILE 224 Cb 0.00 -3.44 0.20 0.00 -1.06 0.00 0.00 42.46 38.17 2dd4 s ILE 224 CO 0.00 -0.27 1.14 0.35 -0.10 0.00 0.00 174.94 176.06 2dd4 n THR 225 N 4.92 1.40 -3.99 2.92 -2.24 -1.26 -4.47 114.28 111.56 2dd4 n THR 225 Ca -0.12 -1.44 -0.09 0.00 -2.27 0.00 0.00 64.05 60.14 2dd4 n THR 225 Cb 0.45 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 2dd4 n THR 225 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2dd4 s VAL 226 N -1.72 0.15 0.77 2.28 -7.23 -1.26 -4.91 120.40 108.47 2dd4 s VAL 226 Ca 0.18 -1.21 -0.14 0.00 -1.81 0.00 0.00 61.98 59.00 2dd4 s VAL 226 Cb 0.14 -0.82 0.06 0.00 0.56 0.00 0.00 36.38 36.32 2dd4 s VAL 226 CO 0.05 -0.67 1.23 0.20 -0.31 0.00 0.00 175.10 175.60 2dd4 s ASN 227 N -2.08 3.86 0.29 4.85 0.01 -1.26 -4.88 114.94 115.73 2dd4 s ASN 227 Ca -0.06 2.43 -0.30 0.00 -0.71 0.00 0.00 52.86 54.22 2dd4 s ASN 227 Cb -0.02 -2.60 -0.12 0.00 0.41 0.00 0.00 41.25 38.92 2dd4 s ASN 227 CO -0.05 -2.49 1.50 0.00 -1.51 0.00 0.00 177.10 174.55 2dd4 n ALA 228 N -2.94 1.98 -1.92 0.60 0.00 -1.26 -4.89 120.51 112.08 2dd4 n ALA 228 Ca 0.14 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.54 2dd4 n ALA 228 Cb 0.50 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 2dd4 n ALA 228 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2dd4 s LYS 229 N -0.81 4.27 0.14 0.00 2.20 -1.26 -5.01 119.74 119.26 2dd4 s LYS 229 Ca 0.63 2.28 -0.07 0.00 -0.36 0.00 0.00 55.97 58.45 2dd4 s LYS 229 Cb -0.55 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 2dd4 s LYS 229 CO 0.52 -0.46 0.22 -0.98 -0.36 0.00 0.00 175.35 174.29 2dd4 s ARG 230 N 0.14 1.05 0.29 4.03 1.70 -1.26 -5.13 118.95 119.77 2dd4 s ARG 230 Ca 0.62 -1.19 -0.29 0.00 -0.47 0.00 0.00 55.73 54.40 2dd4 s ARG 230 Cb -0.42 0.34 -0.14 0.00 -0.57 0.00 0.00 34.95 34.17 2dd4 s ARG 230 CO 0.39 -0.36 1.14 -2.30 -1.08 0.00 0.00 175.30 173.09 2dd4 n PRO 231 N -0.16 1.63 -4.05 3.89 -0.02 -1.26 -4.97 135.00 130.05 2dd4 n PRO 231 Ca -0.08 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 2dd4 n PRO 231 Cb 0.63 -2.04 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 2dd4 n PRO 231 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dd4 s VAL 232 N -0.88 2.39 -0.17 -1.45 1.01 -1.26 -5.09 120.40 114.94 2dd4 s VAL 232 Ca 0.60 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 2dd4 s VAL 232 Cb -0.67 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 2dd4 s VAL 232 CO 0.59 0.27 0.96 -0.22 0.00 0.00 0.00 175.10 176.70 2dd4 s LEU 233 N 1.25 4.17 0.32 3.92 2.96 -1.26 -5.02 118.68 125.03 2dd4 s LEU 233 Ca -0.00 1.36 -0.27 0.00 -0.22 0.00 0.00 54.13 55.00 2dd4 s LEU 233 Cb -0.16 -3.45 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 2dd4 s LEU 233 CO -0.08 -0.51 0.97 -0.54 -1.32 0.00 0.00 176.35 174.87 2dd4 s LYS 234 N 2.48 4.56 0.36 1.98 1.02 -1.26 -5.05 119.74 123.84 2dd4 s LYS 234 Ca 0.44 1.42 -0.13 0.00 0.02 0.00 0.00 55.97 57.71 2dd4 s LYS 234 Cb -0.17 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.21 2dd4 s LYS 234 CO 0.12 0.24 0.76 0.00 -0.92 0.00 0.00 175.35 175.55 2dd4 s ALA 235 N -1.53 3.32 0.29 5.17 0.00 -1.26 -4.97 121.76 122.78 2dd4 s ALA 235 Ca 0.50 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.41 2dd4 s ALA 235 Cb -0.21 -2.76 0.43 0.00 0.00 0.00 0.00 23.12 20.58 2dd4 s ALA 235 CO 0.27 0.18 1.84 -0.97 0.00 0.00 0.00 175.76 177.08 2dd4 h ASN 236 N 1.83 0.74 -1.89 0.00 -1.24 -2.04 -3.36 115.58 109.61 2dd4 h ASN 236 Ca -0.48 -0.13 -0.42 0.00 0.71 0.00 0.00 56.30 55.98 2dd4 h ASN 236 Cb 1.18 -0.19 -0.30 0.00 0.73 0.00 0.00 38.32 39.74 2dd4 h ASN 236 CO 0.65 0.72 -0.79 -0.60 -1.29 0.00 0.00 177.43 176.12 2dd4 s ARG 237 N -5.20 0.92 0.65 6.67 3.52 -1.26 -5.15 118.95 119.09 2dd4 s ARG 237 Ca -0.09 -1.61 -0.18 0.00 -0.13 0.00 0.00 55.73 53.72 2dd4 s ARG 237 Cb 0.16 -0.90 -0.01 0.00 -1.56 0.00 0.00 34.95 32.64 2dd4 s ARG 237 CO 0.79 -1.34 1.29 -1.25 -0.81 0.00 0.00 175.30 173.99 2dd4 s PRO 238 N 0.51 2.54 0.00 5.12 0.04 -1.26 -5.27 135.00 136.69 2dd4 s PRO 238 Ca 0.30 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2dd4 s PRO 238 Cb -0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2dd4 s PRO 238 CO -0.13 -1.61 0.39 0.28 0.04 0.00 0.00 177.00 175.98